bluuebunny/crossref_metadata_2025_split huggingface dataset:
Analysis on Component of Cultured Diatoms and Their Application as Li‐Ion Battery Anodes
Authors: Luo Jun Long , Cai Jun , Gong De , Zhang Jiang Tao 
Published: October 2023

AbstractDiatom is a kind of unicellular organism, whose cell wall is composed of hydrated amorphous silica. Herein, we conducted content and component analysis for three typical genera of self‐cultured diatoms, and explored their fascinating properties to construct anodes of lithium ion batteries (LIBs). Three types of diatoms (Chaetoceros, Navicula, and Stephanodiscus) were extracted and purified for detailed characterization, which verified their main components (e. g., water, protein, carbohydrate, fat, frustule) and delicate hierarchical porous microstructures. Besides, a facile treatment was applied to prepare the diatom‐based anode composites for LIBs. A series of electrochemical tests were conducted to verify their excellent performance of high Initial Coulombic Efficiency(ICE), superior rate capacity and reusability. These fascinating properties could be ascribed to integration of the protoplasmic carbon and unique microstructure. This work offers a feasible strategy to construct renewable natural materials with remarkable anode performance for advanced LIBs.
Preparation, Curing and Properties of Hydantoin Based Epoxy Resins with Different Structures
Authors: Li Xiaocheng , Huang He 
Published: October 2023

AbstractHydantoin based epoxy resins are a kind of special epoxy resin with nitrogen‐containing five‐membered heterocycle structure but less intensively studied than the common bisphenol A type epoxy resins. Besides, only 5,5‐dimethylhydantoin epoxy resin (DMHR) was paid enough attention among hydantoin based epoxy resins. To understand the reasons behind the above background, in this work, three hydantoin based epoxy resins with different structures but similar epoxy values (0.37–0.40 mol/100 g), including hydantoin epoxy resin (HR), 5,5‐dimethylhydantoin epoxy resin (DMHR), 1,3‐dihydroxymethyl‐5,5‐dimethylhydantoin epoxy resin (DHMDMHR), were synthesized first, their non‐isothermal curing kinetics, thermal and mechanical properties and adhesion performance of the cured products were then investigated and compared with bisphenol A epoxy resin E44. The apparent activation energies of the three hydantoin based epoxy resin/diaminodiphenylmethane (DDM) systems were in the range of 55–59 kJ/mol, slightly higher than that of E44/DDM system (47.1 kJ/mol). The properties of the three cured hydantoin based epoxy resins, such as glass transition temperature, thermal stability, tensile strength and storage modulus, declined with decreasing content of the hydantoin cycles. 5,5‐dimethylhydantoin epoxy resin (DMHR) had the highest adhesion strength (5.6 MPa) among the three hydantoin based epoxy resins, but nearly 60 % lower than that of bisphenol A type E44 epoxy resin (13.2 MPa) when a polyether amine was used as the curing agent. The cured product of E44 epoxy resin was stronger, tougher and thermally more stable than the cured products of the three hydantoin based epoxy resins. While, hydantoin based epoxy resins exhibited superior damping performance than E44 epoxy resin.
Fe3O4 Nanoparticles Catalyzed Tandem Synthesis of Fluorescent 3‐(4,5‐diaryl‐1H‐imidazol‐2‐yl) quinoline‐2‐amines: Solvatochromic, DFT and Biological Studies
Authors: Bheemayya Lokesh , Kamble Ravindra R. , Sannaikar Madivalagouda S. , Inamdar Sanjeev R. , Metre Tukaram V. , Kodasi Barnabas , Hoolageri Swati R. , Nadoni Vishwa B. , Joshi Shrinivas D. , S. K Praveen Kumar , Dalbanjan Nagarjuna Prakash , K M Mussuvir Pasha , Keri Rangappa S. 
Published: October 2023

AbstractIn the present work, Fe3O4 nanoparticles were prepared by the co‐precipitation method and employed as effective nanocatalysts in the tandem synthesis of 3‐(4,5‐diaryl‐1H‐imidazol‐2‐yl)quinolin‐2‐amines. An effective multicomponent reaction is plighted for 2‐chloroquinoline‐3‐carbaldehydes and substituted benzils to obtain novel heterocycles 3‐(4,5‐diaryl‐1H‐imidazol‐2‐yl)quinolin‐2‐amines. These molecules are fluorescent and hence for proper understanding of optical behaviour, solvatochromic and DFT studies were carried out. Also, the optical and energy bandgaps were calculated. Molecular docking studies manifested the strong binding affinities by these compounds at the active site of the Candida albicans dihydrofolate reductase enzyme (PDB ID: 1AI9) and Novobiocin (PDB ID: 4URO) with excellent C‐score values. Antimicrobial activity screening results have shown remarkable activity against Escherichia coli with appreciable MIC values and hence noteworthy action has been demonstrated against this bacterium. The zones of inhibition for some of the target compounds are also good against gram positive Staphylococcus aureus exhibiting excellent activity.
La2O3 modified porous boron nitride for enhanced adsorption and removal of fluoride pollutants from an aqueous solution
Authors: Gu Yaxin , Fang Yi , Cai Huayi , Yang Shaobo , Yan Song , Zhang Rongjuan , Cao Chaochao , Tang Chengchun 
Published: October 2023

AbstractFluorine contamination has caused great harm to humans and the environment. In this study, novel lanthanum modified porous boron nitride (porous BN) composites (BN−La−X) were successfully prepared and applied to remove fluoride from water. The results indicated that lanthanum was present on the surface of BN in the form of amorphous La2O3. BN−La‐4 has excellent adsorption performance, and its removal of fluoride is much more effective than that of porous BN with good cyclic regeneration ability. In addition, the fluoride adsorption by BN−La‐4 could reach adsorption equilibrium within 2 h and the adsorption kinetics was conformed to the pseudo‐second‐order model. The maximum adsorption capacity of BN−La‐4 was calculated from the Langmuir model to be 80.04 mg g−1, which was better than most related adsorbents. Furthermore, the presence of anions and pH values affected the removal of fluoride. The adsorption mechanisms were consisted of electrostatic attraction, ion exchange between hydroxyl and fluorine ions, and the formation of coordination complexes between lanthanide ions and fluoride ions. In summary, La2O3 modified porous boron nitride composite is a promising adsorbent for the removal of fluoride contamination in aquatic environment.
A Promising Approach towards the Commercialization of Lithium Sulfur Batteries: Prelithiated Graphene
Authors: Tokur Mahmud 
Published: October 2023

AbstractLithium‐sulfur (Li‐S) batteries are a promising candidate technology for high‐energy rechargeable batteries due to their advantages of abundant materials and inherently high energy. However, the practical applications of Li‐S batteries are challenged by several obstacles, including the low sulfur utilization and poor lifespan, which are partly attributed to the shuttle of lithium polysulfides and lithium dendrite growth during cycling.[1] The shuttling of polysulfide ions between the electrodes in a Li‐S battery is a major technical issue triggering the self‐discharge and limiting the cycle life.[2] A stable lithium anode is essential for maintaining the good cycle stability of Li‐S batteries in practical applications.[3] To address these lithium related issues, various carbon materials, including graphite and graphene, have been investigated as suitable lithium hosts to use as anode materials for Li‐S batteries.[4] In this study, prelithiated graphite and graphene‐based anode materials are obtained by galvanostatic charging method to improve the performance of Li‐S batteries and compare the electrochemical properties especially in terms of capacity retention and rate capability. According to the results, graphene showed better performance due to its high lithium storage capacity and fast lithium‐ion diffusion rate. Inductively Coupled Plasma Emission Spectrometer (ICP‐OES) results showed that the Li+ content of the graphite, graphite/graphene, and graphene electrodes measured as 26.5, 33.2, and 45.6 wt%, respectively after the lithiation process. 1 Ah pouch cell was assembled with prelithiated graphene anode showing an energy density of about 400 Wh kg−1 in the first cycle and protected its specific capacity of 60 % after 100 cycles in a liquid‐based Li‐S battery system.
Synthesis, Characterization and Biological Properties of Mn (II) and Cu (II) Complexes with Sulfonamide and Imidazole Derivatives: Genotoxicity, ADME Profile, and Molecular Docking Studies**
Authors: Bouchoucha Afaf , Amine Bourouai Mohamed , Si Larbi Karima , Merazka Hadjer , Boulanouar Salah , Djabbar Safia 
Published: October 2023

AbstractThe synthesis, characterization, and comparative biological properties of manganese (II) and copper (II) complexes formed with two heterocyclic ligands used in the pharmaceutical field are reported. The characterization of the metal complexes involved elemental analysis, FAB mass spectroscopy, ESR, FTIR, UV‐Visible spectroscopy, and conductometry. The spectroscopic data allowed the determination of the coordination mode and the geometry of all the coordination compounds.
Synthesis and Characterization of a Nano‐Composite CuO@Zn−2‐PTZ {Zn−2‐PTZ=bis[5‐(2‐pyridyltetrazolato)]diaquazinc(II)} for Efficient Photo‐catalytic Degradation of Methylene Blue (MB), Methyl Orange (MO) and mixed(MB‐MO)Dyes in Sunlight
Authors: Kumar Deepak , Pandey Ashutosh 
Published: October 2023

AbstractRemoval of organic contaminants such as azo dyes is highly desirable from the industrial waste waters because of their toxicity, stability, and mutagenic properties. Herein, the nano‐composite CuO@Zn−2‐PTZ has been synthesized by a simple hydrothermal method and characterized by a combination of techniques like Powder X‐Ray Diffraction (PXRD), UV‐Visible spectroscopy, Fourier Transform Infrared (FT‐IR) spectroscopy, Scanning Electron Microscopy‐Energy Dispersive X‐ray analysis (SEM‐EDX) etc. The band gap of the composite was found to be 2.07 eV, indicating the spread of absorption in to the visible region in comparison to the high (3.76 eV) band gap of the parent metal organic framework (MOF) Zn−2‐PTZ. The composite CuO@Zn−2‐PTZ exhibited much higher photo degradations, under natural sunlight, towards the decompositions of the cationic [Methylene Blue (MB)] and anionic [Methyl Orange (MO)] dyes as well as mixed MB and MO dyes taken in water. A comparative study was also undertaken by taking CuO nanoparticles and the parent MOF separately with the same set of dyes under same conditions to substantiate the above. The enhancement of photo‐catalytic activity has been caused by the formation of a p‐n hetero‐junction in the composite. The Langmuir‐Hinshelwood model showed that the degradation rates of the dyes follow pseudo‐first‐order kinetics.
A Photothermal Therapy Study Based on Electrospinning Nanofibers Blended and Coated with Polydopamine Nanoparticles
Authors: Sui Chunhong , Luo Yijia , Xiao Xiao , Liu Jiaxue , Shao Xiaotong , Xue Yingxue , Wang Cheng , Li Wenliang 
Published: October 2023

AbstractThe development of high‐efficiency and good biocompatible photothermal therapy platforms is conducive to avoiding the risks of nano‐preparations in vivo. The poly‐L‐lactic acid (PLLA) indicated good biodegradability and biocompatibility. Inspired by natural melanin and the extraordinary nontoxic mussel biopolymer, polydopamine nanoparticles (PDA NPs) with photothermal efficacy have attracted increasing attention. Herein, we performed the study of blended PDA/PLLA and coated PDA@PLLA electrospun nanofibers (ESNFs) for photothermal therapy. In photothermal experiment, the PDA@PLLA ESNF displayed higher light‐to‐heat conversion and photothermal stability than that of PDA/PLLA and PLLA ESNF. Both in vitro and in vivo experiments tested that three kinds of ESNF exhibited low toxicity and outstanding biocompatibility. Moreover, the PDA@PLLA ESNF showed better property for the cell proliferation due to the rough surface and good hydrophilicity. The in vivo photothermal potentiality of the PLLA, PDA/PLA and PDA@PLLA ESNF was evaluated in nude mice of inoculating the tumor, in which the PDA/PLA and PDA@PLLA ESNF significantly inhibited the tumor increasing compared to control group. Especially, the PDA@PLLA ESNF showed better photothermal therapy, which made the tumor irreversible ablate at local tumor tissue. These results stand out the usage of PDA@PLLA ESNF as potential photothermal therapy material.
Iridium‐Catalyzed Cascade Reaction of Sulfoxonium Ylides with o‐Aminoaryl Aldehydes for the Synthesis of 2‐Acylindoles
Authors: Tong Yixin , Mi E. , Zhou Li , Wang Xiabin , Xiong Biao 
Published: October 2023

Abstract2‐Acylindoles possess widespread applications in functional chemicals. However, the convenient and selective synthesis of such important substructures has to date remained a challenge. Herein, a method to achieve 2‐acylindoles from sulfoxonium ylides with o‐aminoaryl aldehydes catalysed by Iridium has been developed with the merits of broad substrate scope, good functional tolerance, high efficiency and operational simplicity, which provides an alternative way to access functionalized indoles.
The versatility of the Cholesky decomposition in electronic structure theory
Authors: Pedersen Thomas Bondo , Lehtola Susi , Fdez. Galván Ignacio , Lindh Roland 
Published: October 2023

AbstractThe resolution‐of‐the‐identity (RI) or density fitting (DF) approximation for the electron repulsion integrals (ERIs) has become a standard component of accelerated and reduced‐scaling implementations of first‐principles Gaussian‐type orbital electronic‐structure methods. The Cholesky decomposition (CD) of the ERIs has also become increasingly deployed across quantum chemistry packages in the last decade, even though its early applications were mostly limited to high‐accuracy methods such as coupled‐cluster theory and multiconfigurational approaches. Starting with a summary of the basic theory underpinning both the CD and RI/DF approximations, thus underlining the extremely close relation of the CD and RI/DF techniques, we provide a brief and largely chronological review of the evolution of the CD approach from its birth in 1977 to its current state. In addition to being a purely numerical procedure for handling ERIs, thus providing robust and computationally efficient approximations to the exact ERIs that have been found increasingly useful on modern computer platforms, CD also offers highly accurate approaches for generating auxiliary basis sets for the RI/DF approximation on the fly due to the deep mathematical connection between the two approaches. In this review, we aim to provide a concise reference of the main techniques employed in various CD approaches in electronic structure theory, to exemplify the connection between the CD and RI/DF approaches, and to clarify the state of the art to guide new implementations of CD approaches across electronic structure programs.This article is categorized under:
Electronic Structure Theory > Ab Initio Electronic Structure Methods
Software > Quantum Chemistry
Quantum Computing > Theory Development
Aircraft observations of Typhoon Nesat (2022) over the northern part of South China Sea
Authors: Mak Betty , Choy C. W. , Chan P. W. , He Junyi , Li Q. S. 
Published: October 2023

AbstractSince 2011, routine reconnaissance has been carried out whenever there is a tropical cyclone (TC) entering the Flight Information Region of Hong Kong that may pose a threat to the territory. In October 2022, Typhoon Nesat entered the northern part of the South China Sea and aircraft reconnaissance flights were conducted for the storm. This paper presents these interesting data for the meteorological and wind engineering communities. The presented observations would be beneficial for other studies of this cyclone, such as numerical simulations of Nesat for comparison with actual observations.
Recent Advance of Representation Learning Stage
Authors: Zhao Xiang , Zeng Weixin , Tang Jiuyang 
Published: October 2023

AbstractOver the last few years, there are a pile of research devoted to learning better KG representations to facilitate entity alignment. Thus, in this chapter, we summarize recent progress in the representation learning stage of EA and also provide a detailed empirical evaluation to reveal the strengths and weaknesses of current solutions.
Dual-adhesive and self-healing alginate-based hydrogel for wound healing
Authors: El‑Sayed Naglaa Salem , Helmy Naiera M. , Kamel Samir 
Published: October 2023

AbstractSome of the wound dressings on the market cause skin tearing and bleeding when removed, slowing the healing process. So, it is difficult to treat infected wounds of sensitive skin patients. Herein, antibacterial and biocompatibility self-healing hydrogel loaded with 9-Aminoacridine and kanamycin sulfate were prepared by grafting poly(β-carboxyethyl acrylate-co-acrylamide) onto sodium alginate. The biological assay demonstrated the hydrogels’ good biocompatibility, which showed no harmful effects on normal human melanocyte cells. In addition, the hydrogels had a powerful antibacterial impact on the various bacterial strains utilized in the investigation. From the study of the rheological properties of the prepared hydrogel, it was found that it is a non-Newtonian fluid. These results suggest the possible utilization of the as-prepared hydrogels in the fabrication of wound healing.
Differentiating Cardiac Troponin Levels During Cardiac Myosin Inhibition or Cardiac Myosin Activation Treatments: Drug Effect or the Canary in the Coal Mine?
Authors: Lee Matthew M. Y. , Masri Ahmad 
Published: October 2023

Abstract
Purpose of Review
Cardiac myosin inhibitors (CMIs) and activators are emerging therapies for hypertrophic cardiomyopathy (HCM) and heart failure with reduced ejection fraction (HFrEF), respectively. However, their effects on cardiac troponin levels, a biomarker of myocardial injury, are incompletely understood.

Recent Findings
In patients with HCM, CMIs cause substantial reductions in cardiac troponin levels which are reversible after stopping treatment. In patients with HFrEF, cardiac myosin activator (omecamtiv mecarbil) therapy cause modest increases in cardiac troponin levels which are reversible following treatment cessation and not associated with myocardial ischaemia or infarction.

Summary
Transient changes in cardiac troponin levels might reflect alterations in cardiac contractility and mechanical stress. Such transient changes might not indicate cardiac injury and do not appear to be associated with adverse outcomes in the short to intermediate term. Longitudinal changes in troponin levels vary depending on the population and treatment. Further research is needed to elucidate mechanisms underlying changes in troponin levels.
Selenium Species in Diabetes Mellitus Type 2
Authors: Pyrzynska Krystyna , Sentkowska Aleksandra 
Published: October 2023

AbstractSelenium is an important trace element for humans and animals as it plays a key role in several major metabolic pathways. Several studies were conducted to better understand the role of selenium against diabetes mellitus (DM), particularly type 2 (T2DM), but the obtained conclusions are contradictory. A simple linear relationship does not exist between the risk of T2DM and selenium levels but is best represented in a dose-dependent manner, getting often the U-graph. This relation also depends on selenium chemical forms that are present in a diet or supplements. Both too low and too high selenium intakes could increase the risk of diabetes. Moreover, the baseline status of Se should be taken into consideration to avoid over-supplementation. The focus of this brief overview is to report the recent updates concerning selenium participation in diabetes mellitus.
Necroptosis-related genes are associated with prognostic features of kidney renal clear cell carcinoma
Authors: Wang Yiduo , Pan Ke-Hao , Chen Ming 
Published: October 2023

Abstract
Introduction
Renal clear cell carcinoma is a common type of cancer in the adult urological system. It has a high mortality rate, with 30% of patients developing metastasis and 60% dying within 1–2 years of diagnosis. Recent advancements in tumor immunology and necroptosis have provided new insights into kidney cancer therapy. Therefore, it is crucial to identify potential targets for combining immunotherapy with necroptosis.

Materials and methods
Using the GSE168845 dataset and necroptosis-related genes, we identified genes that are differentially expressed in relation to necroptosis. We analyzed the prognostic value of these genes through differential expression analysis, prognostic analysis, and Cox regression analysis. The expression levels of the MYCN and CDKN2A genes were verified using the GSE53757 dataset. We also examined the association between the differentially expressed genes and clinicopathological features, as well as overall survival in our cohorts. In addition, we constructed a lasso Cox regression model to assess the correlation between these genes and immune score, ICP, and OCLR score. We conducted qRT-PCR to detect the expression of MYCN, CDKN2A, and ZBP1 in different samples of kidney renal clear cell carcinoma (KIRC). The expression levels of these genes were verified in a normal kidney cell line (HK-2 cells) and two KIRC cell lines (786-O, ACHN). The protein levels of MYCN and CDKN2A were detected using immunohistochemistry (IHC). SiRNA was used to silence the expression of MYCN and CDKN2A in the ACHN cell line, and wound healing assays were performed to measure cell migration.

Results
MYCN, CDKN2A, and ZBP1 were identified as necroptosis-related genes with independent prognostic value, leading to the development of a risk prognostic model. The expression of the CDKN2A gene was significantly higher in KIRC tissues compared to normal tissues, while the expression of the MYCN gene was significantly lower in KIRC tissues. The expression of MYCN and CDKN2A was associated with tumor stage, metastasis, and overall survival in our cohort. Furthermore, MYCN, CDKN2A, and ZBP1 were significantly correlated with immune score, ICP, and OCLR score. The expression levels of CDKN2A and ZBP1 were higher in KIRC cells compared to normal kidney cells, while the expression of MYCN was lower in KIRC cells. The protein expression of MYCN and CDKN2A was also higher in KIRC tissues, as confirmed by IHC. The results of the wound healing assay indicated that silencing CDKN2A inhibited cell migration, while silencing MYCN enhanced cell migration.

Conclusions
MYCN and CDKN2A are potential targets and valuable prognostic biomarkers for combining immunotherapy with necroptosis in kidney renal clear cell carcinoma. CDKN2A promotes the migration of renal cancer cells, while MYCN inhibits their migration.
Analysis of mesoscopic mechanical dynamic characteristics of ballast bed with under sleeper pads
Authors: Yang Xiong , Yu Liuyang , Wang Xuejun , Xu Zhigang , Deng Yu , Li Houxu 
Published: October 2023

AbstractThe meso-dynamical behaviour of a high-speed rail ballast bed with under sleeper pads (USPs) was studied. The geometrically irregular refined discrete element model of the ballast particles was constructed using 3D scanning techniques, and the 3D dynamic model of the rail–sleeper–ballast bed was constructed using the coupled discrete element method–multi-flexible-body dynamics (DEM–MFBD) approach. We analyse the meso-mechanical dynamics of the ballast bed with USPs under dynamic load on a train and verify the correctness of the model in laboratory tests. It is shown that the deformation of the USPs increases the contact area between the sleeper and the ballast particles, and subsequently the number of contacts between them. As the depth of the granular ballast bed increases, the contact area becomes larger, and the contact force between the ballast particles gradually decreases. Under the action of the elastic USPs, the contact forces between ballast particles are reduced and the overall vibration level of the ballast bed can be reduced. The settlement of the granular ballast bed occurs mainly at the shallow position of the sleeper bottom, and the installation of the elastic USPs can be effective in reducing the stress on the ballast particles and the settlement of the ballast bed.