bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fabrication and Investigation of a MoS2/Fe3O4/PANI Composite for Supercapacitor Applications
Authors: Bayat Parvaneh , Karami Kazem , Gholamian Marzieh , Tavakoli Farshad , Rahimi Sakineh , Kamali Shahla , Rezaei Behzad 
Published: March 2024

AbstractThis study investigates a successful fabrication of MoS2/Fe3O4/PANI composite by chemical co‐precipitation method. The facile hydrothermal approach was employed to synthesize a MoS2/Fe3O4 composite, followed by the utilization of a conventional chemical oxidation strategy to produce a PANI coating on the composite, thereby generating an active material for electrochemical reactions and a structure facilitating the transportation of ions via multiple pathways. The fabricated MoS2/Fe3O4/PANI composite was characterized by SEM, ICP, XRD, FT‐IR, and so on. In this study, we delved into the electrochemical charge storage feature of MoS2/Fe3O4/PANI. The electrochemical characteristics of the nanocomposite were assessed through the implementation of cyclic voltammetry (CV), electrochemical impedance spectroscopy (EIS), and chronopotentiometry techniques in a 3 M KOH electrolytic solution, utilizing nickel foam as both a material support and current collector for two electrode configurations. The findings indicate that MoS2, as the support matrix, possesses notable attributes such as a substantial surface area, elevated electrical conductivity, and varied oxidation states. As a result, the electrical conductivity performance of the MoS2/Fe3O4/PANI composite, which includes well‐dispersed Fe3O4 nano‐cubes on the surfaces of MoS2, is significantly enhanced. In comparison to pure Fe3O4, the resultant composite revealed improved specific capacitances of 401 F/g at 1.25 A g−1, along with outstanding cyclic stability of 89.3 even after undergoing 5000 cycles. The superior electrochemical properties observed may be ascribed to both the proficient electrical conductivity of MoS2 and the incorporation of Fe3O4 particles, which are anchored onto the MoS2. The results prove that MoS2/Fe3O4/PANI hybrid composite holds as highly efficient electrode material for supercapacitor.
Discovery of Thiadiazoles as Human Dihydroorotate Dehydrogenase (hDHODH) Inhibitors by Combined Structure‐Based Modelling Methods
Authors: Gehlot Pinky , Kumar Sunil , Kumar Vipin , Vyas Vivek K. 
Published: March 2024

AbstractThis study involves the design of novel thiadiazole derivatives as hDHODH inhibitors using various structure‐based approaches such as pharmacophore modelling, high‐throughput virtual screening (HTVS), prediction of ADMET parameters, docking and molecular dynamics (MD) studies. We used the validated co‐crystal structure of hDHODH to create the six‐feature pharmacophore model ADHRRR, which was validated by the Güner‐Henry scoring (GH score=0.81) approach, enrichment calculations (enrichment factor=51), area under the curve (0.93), receiving operating characteristic (ROC) curve (0.89), and ROC′s Boltzmann‐enhanced discrimination, known as BEDROC (α=8) (0.859), (α=20) (0.828), (α=160) (0.912). Pharmacophore model as a 3D search query was used for the screening of zinc database followed by docking investigations and energy calculation (Prime/MMGBSA). For the design of novel compounds, we selected the thiadiazole moiety as the central scaffold and various functional groups based on pharmacophoric characters and binding interactions. In docking study, designed compounds showed favourable interactions with Gln47 and Arg136 at the active site of the hDHODH enzyme, and optimal drug likeness properties for ADMET prediction study. Stability of enzyme‐ligand complex was validated by MD simulation study with RMSD, RMSF and RoG calculations. These findings suggested that novel thiadiazoles are potential candidates as hDHODH inhibitors and anticancer agents.
Fabrication of Stable Dual‐Layer Polymer‐Based Nanofibers with Applications for Food Preservation
Authors: Ozer Fatma Tugce , San Keskin Nalan Oya 
Published: March 2024

AbstractThe aim of the study was to produce dual nanofibers (NFs) with antibacterial and antioxidant properties, and to determine the potential use of dual NFs in food preservation. For this purpose, Polycaprolactone (PCL) polymers and Hydroxypropyl Beta Cyclodextrin (HPβ‐CD) polymer were used to produce nanofibers. Nisin, which is in the GRAS class, was used for the antibacterial properties of NFs and black seed cumin oil (BCSO) was used for antibacterial and antioxidant effects. PCL_BCSO‐NFs has an antimicrobial effect on both Gram‐positive and Gram‐negative bacteria. Furthermore, PCL_BCSO‐NFs showed antibacterial activity of 50 % and above after long periods of storage at the room temperature. Nisin loaded HPβ‐CD‐NF and dual layer nanofiber exhibited antibacterial activity of 3.5±0.3 cm and 3.1±0.3 cm zone diameter against S. aureus and E. coli respectively. Furthermore, PCL/BCSO‐HPβ_CD/Nisin‐NFs showed a high antimicrobial effect until day 60. Antioxidant activity of PCL_BCSO‐NFs was 63.2 % while 52.9 % was observed by dual layer NFs. In addition, the antioxidant activity of PCL/BCSO‐HPβ_CD/Nisin‐NFs ranged from 52 to 70 % for 1d and 7 days storage period. Therefore, nanofiber based mats containing BCSO and nisin as a food packaging material can potentially provide protection to extend the shelf life of food products.
A Novel Carrier Based on DNA and Exosome to Sustained Release of 5‐Fluorouracil Anticancer Drug
Authors: Oraki Maryam , Saeidifar Maryam , Khanlarkhani Ali , Javaheri Masoumeh 
Published: March 2024

AbstractThe development of effective drug delivery systems is crucial for improving cancer treatment outcomes. A promising carrier using a combination of DNA and exosomes (EXO) was synthesized to sustain the release of the powerful anticancer drug 5‐fluorouracil (5‐FU). The carrier was prepared by encapsulating 5‐FU‐loaded exosomes (5‐FU.EXO) in the heated DNA carriers (5‐FU.EXO@DNA). Alteration of the DNA structure was studied using molecular dynamics. The physicochemical properties of the carriers were characterized using fourier‐transform infrared spectroscopy (FTIR), field‐emission scanning electron microscopy (FESEM), and dynamic light scattering (DLS). The 5‐FU.EXO@DNA carrier exhibited good stability and biocompatibility, with a uniform size distribution (709±269 nm) and a zeta potential of +312 mV. The interaction between 5‐FU and DNA was confirmed using molecular docking. In vitro release studies showed that both 5‐FU@DNA and 5‐FU.EXO@DNA carriers achieved sustained release of 5‐FU for 576 h, with cumulative releases of approximately 83 % and 89 %, respectively. The 5‐FU release profile showed 40 % release over 86 h. The release rate and other kinetic parameters were also determined. Furthermore, the release kinetics followed by the Korsmeyer‐Peppas model and the diffusion mechanism plays a significant role in controlling the release process.
Large‐Scale Solution‐Processed Ultrathin 2D Tri‐layer Heterostructures for Photodetector Applications
Authors: Yadav Priyanka , Wellington John John , Kumar Ganguli Ashok 
Published: March 2024

AbstractHeterojunction‐based photodetectors of 2D TMDs provide the solution‐processability and scalability to fabricate devices. In this study, we have produced photodetectors using a solution‐processable approach, focusing on the heterojunction of 2D transition metal dichalcogenides (TMDs). The photodetection properties of the fabricated devices have been thoroughly examined at two different wavelengths 660 nm and 785 nm. This hybrid 2D tri‐layer heterojunction strategy, employing a MoS2/MoSe2 heterojunction as the photosensitizer and a TiS2 layer as the conducting pathway, is fabricated to understand high‐performance photodetectors. A simple and low‐cost solution process was used to fabricate all the active layers of the photodetector. 2D TMDs were synthesized by liquid phase exfoliation which exhibits absorption in both visible as well as NIR spectral regions. The as‐fabricated photodetector shows a response time of 220 msec and responsivity of ~28 mA W−1 in the visible region and ~44 mA W−1 in the near IR region. This improved response of the as‐fabricated photodetector of tri‐layer heterojunction results from the effective decrease in recombination rate and efficient electron–hole separation.
Facile preparation of Bacterial cellulose‐SiO2 composite aerogel with good mechanical strength and thermal stability
Authors: Chen Zhihui , Yang Tianfeng , Zhu Xiaping , Liu Yawen , Ren Donxue , Sun Yonghua 
Published: March 2024

AbstractBacterial cellulose is a natural biopolymer with an ultrafine nanofibrous reticulated matrix and crosslinking active sites. In this work, composite silica aerogels were prepared using a two‐step acid‐base catalysis and ambient pressure drying, with methyltriethoxysilane as the silica precursor and a trace amount of bacterial cellulose as the silicon skeleton reinforcement. The preparation was carried out in water without the addition of other organic solvents and without solvent replacement. The preparation conditions were optimized, and the prepared composite aerogels were characterized using SEM, BET, FTIR, a contact angle meter, and GA‐DTA. The results showed that the introduction of a trace amount of bacterial cellulose could obviously change the morphology and hydrophilicity of the aerogels, and increase its compressive strength up to 5 MPa without significant changes in its specific surface area and density. The addition of bacterial cellulose helped the aerogels maintain its original shape after being heated at high temperatures.
Synthesis and Characterization of Thymoquinone‐Oxime (TQ‐Ox) from Thymoquinone and Evaluation of its Cytotoxic, Genotoxic, and Apoptotic Potential in Lung Cancer Cells (A549) in vitro
Authors: Beyaztas Hakan , Babaoglu Burcu , Demirkol Baris , Cetinkaya Erdogan , Metin Guler Eray 
Published: March 2024

AbstractIntro: Thymoquinone(TQ), a compound derived from Nigella sativa, has been found to impede cancer progression, including proliferation, migration, and invasion. Previous research has explored the potential benefits of augmenting TQ with functional groups to enhance its activity, particularly when combined with traditional drugs. The aim of our study was to investigate the therapeutic effects of Thymoquinone‐Oxime(TQ−Ox) on lung cancer cell lines. Methods: To determine the structure of the novel TQ−Ox substance, we employed NMR spectroscopy. We also performed in vitro assays to assess the anti‐cancer mechanisms of TQ−Ox on lung cancer cells(A549) and healthy lung cells(BEAS‐2B). These assays included assessments of cytotoxicity, genotoxicity, and apoptosis, as well as measurements of intracellular Reactive Oxygen Species(iROS), intracellular Calcium(iCa2+), and Mitochondrial Membrane Potential(MMP). Results: Our results demonstrate that TQ−Ox induces dose‐dependent cytotoxicity, genotoxicity, and apoptosis in cancer cells, along with an increase in iROS production. The IC50 values for A549 and BEAS‐2B cells were 41.01 μM and 48.71 μM, respectively. We also observed that as iCa2+ levels increased, there was a decrease in MMP levels(p<0.001). Conclusion: TQ−Ox shows potential as a therapeutic option for lung cancer, justifying further in vitro and in vivo research to explore its clinical applications.
Study of MOF‐derived Double Hemispherical Nano‐Co3O4/C Composite as Anode Material for Lithium‐Ion Batteries
Authors: Wu Liming , Liu Yan‐gai , Zhao Hang , Zhang Yujie , Wang Zekun , Zhang Xi , Zhu Bing , He Peijie , Liu Yicen 
Published: March 2024

AbstractCo3O4 emerges as a promising substitute in the field of anode electrode materials for the next‐generation of lithium‐ion batteries (LIBs). Nevertheless, challenges such as volumetric effects during cycling and insufficient conductivity have resulted in its subpar cycle stability, which impedes its practical application. In this study, we successfully employed a straightforward method to design and synthesize double hemispherical nano‐Co3O4/C composite materials derived from MOF‐74(Co). Benefiting from its nano‐porous structure combined with carbon materials, the resulting Co3O4/C electrode manifests outstanding electrochemical performance. Specifically, the obtained Co3O4/C electrode exhibits a notably high reversible cycle capacity (1151.9 mAh g−1 at 0.2 A g−1), exemplary rate capability, and outstanding long‐cycle performance (maintaining a capacity of 366.2 mAh g−1 at 1 A g−1 after 1400 cycles). This research introduces a novel approach for the development of innovative anode materials for LIBs.
Promoted Production of Lactic Acid from Glucose by Calcium Hydroxide in the Presence of Hydrogen
Authors: Li Bing , Yu Yue , Jia Bingjiang , Huang Ziqing , Liu Jingyi , Guo Bolin , Zhang Qing 
Published: March 2024

AbstractCatalytic conversion of glucose to lactic acid is a green promising strategy for the effective utilization of biomass‐derived carbohydrates to generate valuable chemicals. The generation of lactic acid would also be distinguishing in different reaction atmospheres. In this work, we firstly investigated the decomposition of lactic acid and glucose transformation to lactic acid in H2. No obvious decomposition of lactic acid was observed in H2. The activity testing results showed that glucose could be completely converted over the selected hydroxides, while the formation of lactic acid was closely related to the alkalinity of hydroxide. The yield of lactic acid was remarkably obtained to be 87 % over Ca(OH)2 at 220 °C for 3 h. Stronger alkalinity of the catalyst would facilitate glucose isomerization to fructose, and then easily be transformed into dihydroxyacetone or glyceraldehyde intermediates through reverse aldol condensation, which is beneficial to the generation of lactic acid.
Effect of Mesoporous Silica as a Solid Precursor on the Properties of Silicon Oxycarbide Thin Films via Hot Filament Chemical Vapor Deposition
Authors: Garcia Balderas Ivan Enrique , Ruiz Crisoforo Morales , Andres Enrique Rosendo , Perez Cruz Maria Ana , Hernandez Erick Gastellou , Galeazzi Isasmendi Reina , Coyopol Solis Antonio , García Salgado Godofredo , Romano Trujillo Roman 
Published: March 2024

AbstractThis study investigates the impact of mesoporous silica tablets on the synthesis and properties of silicon oxycarbide thin films produced via Hot Filament Chemical Vapor Deposition. Results reveal significant variations in composition and cluster morphology, influenced by the introduction of mesoporous silica tablets. The study demonstrates controlled deposition, consistent synthesis, and the substantial impact of mesoporous silica tablets on the composition, structure, and optical properties of thin films. These findings offer new possibilities for tailor design applications in electronics, optics, and sensors.
Exploration of Choline Chloride Based Type II and Type III Deep Eutectic Solvents: A Computational and Experimental Approach
Authors: Dave Pragnesh , Lohar Ajay , Kakkar Rita 
Published: March 2024

AbstractDeep eutectic solvents (DESs) of choline chloride with citric acid (CACC), Maleic acid (MACC) and Magnesium chloride hexahydrate (MAGCC) were synthesized in 1 : 1 molar ratio and investigated experimentally and computationally. For the computational study, density functional theory (DFT) calculation with B3LYP/6‐31 (+, +) G (d,p) level of theory for MACC and CACC and at B3LYP/SDD basis set for MAGCC was employed and the FT‐IR spectroscopy was used for experimental evaluation. For understanding the orientation of bonds and hydrogen bonding present in DESs geometrically optimized structures were used. Through frontier molecular orbital (FMO) theory and HOMO−LUMO values and various quantum chemical parameters, viz., ionization potential (IP), electron affinities (EA), electro negativity (χ), chemical potential (μ), global softness (σ) and hardness (η), electrophilicity index (ω) were calculated for all DESs. These computational values made it clear that MAGCC is the most stable among the three DESs due to the high value of global hardness (η) (3.291 eV) and HOMO−LUMO energy gap (Egap) (6.582 eV) and lowest value of softness (σ) (0.152 eV), CACC shows the moderate values (η=2.452, Egap=4.905 and σ=0.204 eV). While MACC is found to be the least stable and most reactive among three DESs with values of η, Egap and σ, 1.970, 3.940 and 0.254 eV, respectively. Furthermore, MESP analysis gives an idea about the electrophilic and nucleophilic surface region of DESs. This study will give valuable information for a better understanding of DESs and the applicability of computational calculations in the future.
In vitro ruminal fermentation, core nutrient, fatty acids and mineral matter of pennyroyal (Mentha pulegium L.) herbage at different phenological stages
Authors: Kara Kanber , Yilmaz Sena , Güçlü Berrin Kocaoğlu , Demir Seyrani 
Published: March 2024

AbstractBackgroundIn ruminants, fibrous feedstuffs must be included in the ration to ensure normal rumen physiology and to prevent the occurrence of rumen‐related metabolic diseases. In addition to being a source of fibrous feedstuffs, they contain energy depending on the level of digestion and protein, minerals, fatty acids, minerals, and secondary compounds.ObjectivesThis study aimed to determine the nutrient matter, fatty acid, mineral and in vitro rumen fermentation values of the pennyroyal (Mentha pulegium L.) plant.MethodsThe pennyroyal plant samples were collected at different phenological stages (vegetative, full flowering, and seed bulking) from the natural meadow. The samples were analysed for core nutrients, condensed tannins, minerals, fatty acids, and in vitro ruminal fermentation parameters.ResultsThe calcium (Ca) and iron (Fe) contents and in vitro ruminal fermentation parameters (total gas production and methane production, organic matter digestion (OMd), and the ammonia‐nitrogen) decreased with increasing phenological stage (p < 0.05). The percentages of linoleic, α‐linolenic, ω‐3, ω‐6 and polyunsaturated fatty (PUFA) acids of the pennyroyal plant linearly increased with the phenological stages (p < 0.05). However, butyric acid (BA) concentration in the in vitro ruminal fermentation fluid in the full flowering stage was lower than that of other stages (p < 0.05).ConclusionsPennyroyal plant is a functional plant in terms of high values of ether extract (EE), α‐linolenic acid, linoleic acid, ∑ω‐3 fatty acids, Ca, Fe and Zn contents. For this plant to be used as animal feed, the stage when it has the highest values for Ca, Mg, S and Zn minerals and in vitro OMd were vegetative and full flowering. The stage with good potential as animal feed for ∑ω‐3 and ∑ω‐6 fatty acids and core nutrients (CP and EE) is the seed bulking stage.
Telomere‐to‐telomere Schizosaccharomyces japonicus genome assembly reveals hitherto unknown genome features
Authors: Etherington Graham J. , Wu Pei‐Shang , Oliferenko Snezhana , Uhlmann Frank , Nieduszynski Conrad A. 
Published: March 2024

AbstractSchizosaccharomyces japonicus belongs to the single‐genus class Schizosaccharomycetes, otherwise known as “fission yeasts.” As part of a composite model system with its widely studied S. pombe sister species, S. japonicus has provided critical insights into the workings and the evolution of cell biological mechanisms. Furthermore, its divergent biology makes S. japonicus a valuable model organism in its own right. However, the currently available genome assembly contains gaps and has been unable to resolve centromeres and other repeat‐rich chromosomal regions. Here we present a telomere‐to‐telomere long‐read genome assembly of the S. japonicus genome. This includes the three megabase‐length chromosomes, with centromeres hundreds of kilobases long, rich in 5S ribosomal RNA genes, transfer RNA genes, long terminal repeats, and short repeats. We identify a gene‐sparse region on chromosome 2 that resembles a 331 kb centromeric duplication. We revise the genome size of S. japonicus to at least 16.6 Mb and possibly up to 18.12 Mb, at least 30% larger than previous estimates. Our whole genome assembly will support the growing S. japonicus research community and facilitate research in new directions, including centromere and DNA repeat evolution, and yeast comparative genomics.
Reinstatement of the fission yeast species Schizosaccharomyces versatilis Wickerham et Duprat, a sibling species of Schizosaccharomyces japonicus
Authors: Brysch‐Herzberg Michael , Jia Guo‐Song , Sipiczki Matthias , Seidel Martin , Zhang Wen‐Cai , Du Li‐Lin 
Published: March 2024

AbstractSchizosaccharomyces japonicus Yukawa et Maki (1931) and Schizosaccharomyces versatilis Wickerham et Duprat (1945) have been treated as varieties of S. japonicus or as conspecific, based on various approaches including mating trials and nDNA/nDNA optical reassociation studies. However, the type strains of S. japonicus and S. versatilis differ by five substitutions (99.15% identity) and one 1‐bp indel in the sequences of the D1/D2 domain of the 26S rRNA gene, and 23 substitutions (96.3% identity) and 31‐bp indels in the sequences of internal transcribed spacer (ITS) of rRNA, suggesting that they may not be conspecific. To reassess their taxonomic status, we conducted mating trials and whole‐genome analyses. Mating trials using the type strains showed a strong but incomplete prezygotic sterility barrier, yielding interspecies mating products at two orders of magnitude lower efficiency than intraspecies matings. These mating products, which were exclusively allodiploid hybrids, were unable to undergo the haplontic life cycle of the parents. We generated chromosome‐level gap‐less genome assemblies for both type strains. Whole genome sequences yielded an average nucleotide identity (ANI) of 86.4%, indicating clear separation of S. japonicus and S. versatilis. Based on these findings, we propose the reinstatement of S. versatilis as a distinct species (holotype strain: CBS 103T and ex‐types: NRRL Y‐1026, NBRC 1607, ATCC 9987, PYCC 7100; Mycobank no.: 847838).
Yeast–insect interactions in southern Africa: Tapping the diversity of yeasts for modern bioprocessing
Authors: Makopa Tawanda P. , Ncube Thembekile , Alwasel Saleh , Boekhout Teun , Zhou Nerve 
Published: March 2024

AbstractYeast–insect interactions are one of the most interesting long‐standing relationships whose research has contributed to our understanding of yeast biodiversity and their industrial applications. Although insect‐derived yeast strains are exploited for industrial fermentations, only a limited number of such applications has been documented. The search for novel yeasts from insects is attractive to augment the currently domesticated and commercialized production strains. More specifically, there is potential in tapping the insects native to southern Africa. Southern Africa is home to a disproportionately high fraction of global biodiversity with a cluster of biomes and a broad climate range. This review presents arguments on the roles of the mutualistic relationship between yeasts and insects, the presence of diverse pristine environments and a long history of spontaneous food and beverage fermentations as the potential source of novelty. The review further discusses the recent advances in novelty of industrial strains of insect origin, as well as various ancient and modern‐day industries that could be improved by use yeasts from insect origin. The major focus of the review is on the relationship between insects and yeasts in southern African ecosystems as a potential source of novel industrial yeast strains for modern bioprocesses.