bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and stability characteristics of zonal soil aggregates in the Three Rivers Source of the Qinghai‐Tibetan Plateau
Authors: Sun Fenghao , Zhang Zhichun , Jiang Pingan , Zhou Shaolong , Ou Jianfang 
Published: July 2023

AbstractThis study aimed to explore the structure and stability characteristics of zonal soil aggregates in cold high‐altitude regions and reveal the variation patterns of alpine soil aggregates, using the Three Rivers Source of the Qinghai‐Tibetan Plateau as an example. Zonal soils representing the local vegetation types (alpine meadow soil, alpine grassland soil) were collected, and soil aggregates were separated using wet and dry sieving methods. Random forest modeling was used with climate data from 2011 to 2019 as variables in order to generate multifactor digital maps of water‐stable and mechanically stable aggregates. The composition and differences of zone‐specific soil aggregates were compared and analyzed using the evaluation indices of macroaggregate content (R > 0.25), mean weight diameter (MWD), geometric mean diameter, and fractal dimensions. Their controlling factors were also explored. The study results showed that the model's explanatory power for soil aggregates was over 68%. In the random forest model, elevation and sunshine duration contributed more to soil water‐stable aggregates, whereas precipitation contributed more to soil mechanically stable aggregates. The content of large aggregates with particle size greater than 0.5 mm was higher in alpine meadow soils than in alpine grassland soils. In contrast, the content of large aggregates with particle size less than 0.5 mm was lower than that of alpine grassland soils. There are also some differences in the distribution of water‐stable aggregates and mechanically stable aggregates between alpine meadow soils and alpine grassland soils in each particle size, and these differences are most pronounced in the particle sizes >2 and <0.25 mm. In addition, the stability of alpine meadow soil aggregates is higher than that of alpine grassland soil aggregates. Finally, the mapping results show that the stability of soil aggregates in the study area has similar zonal characteristics to the zonal variation of vegetation cover and climate and other factors.
Principles for the consideration of intersectionality in place‐based disaster risk governance in islands
Authors: Hill Lowine Stella , Armitage Derek , Collins Andrea M. , Pittman Jeremy 
Published: July 2023

AbstractThis paper advances disaster risk governance (DRG) research and practice by incorporating elements of intersectionality and place‐based thinking. Intersectionality provides a crucial yet underutilised lens to examine power, positionality, and individuals' experiences facing disasters and other climatic events. Through six principles and using examples from small islands and a synthesis of the literature, this paper presents an intersectional approach for DRG to support inclusive and contextualised actions: (i) individuals are multi‐dimensional and complex; (ii) identities and vulnerability are not predefined; (iii) spatial and temporal differences influence the expression of identities; (iv) materiality of ecological systems influences intersectionality; (v) power relations are central the emergence of social processes and epistemologies; and (vi) positionality plays an important role in defining risk reduction agendas and choices. This paper examines how an intersectional perspective generates pathways to address the root causes of vulnerabilities to disasters beyond the ‘one size fits all’ approaches promoted globally.
Cationic Exchange of Evans‐Showell Polyoxometalate to Construct Efficient Hydrodesulfurization Catalyst
Authors: Liang Jilei , Wang Wanwan , Wu Wenjie , Wu Mengmeng , Hua Jiawei , Liu Yunqi , Liu Chenguang 
Published: July 2023

AbstractIn this paper, a simple cationic exchange method was proposed to increase the Co/Mo ratio in the Evans‐Showell polyoxometalate to the desired 0.5 with both Mo and Co atoms in one molecule. This approach was proved successfully by X‐ray diffraction, X‐ray fluorescence spectrometer, infrared spectroscopy, and thermogravimetric analyzer. Then, the obtained Evans‐Showell‐type polyoxometalate was used as a superior precursor to construct efficient hydrodesulfurization catalyst, and the dibenzothiophene evaluation results showed that the hydrodesulfurization reaction turnover frequency, the rate constant, and the dibenzothiophene conversion are 1.8×10−3 s−1, 6.4×10−7 mol g−1 s−1, and 95.2 %, respectively, illustrating the excellent hydrodesulfurization performance of the catalyst. The cationic exchange approach promises the Mo and Co atoms in one molecule and the desired proximity of them, leading to a higher dispersion of MoS2 nanoparticles, a higher percent of CoMoS active phase and the excellent hydrodesulfurization performance for dibenzothiophene consequently.
Synthesis and structural characterization of azine based oligoesteric chemosensors for Fe2+ ion detection
Authors: Manigandan Subramani , Muthusamy Athianna , Nandhakumar Raju , Prabakaran Gunasekaran 
Published: July 2023

AbstractAzine‐based monomer and its three oligoesters were synthesized, characterized with IR, UV, GC‐MS, GPC, 1H NMR, 13C{1H} NMR, 31P NMR and applied to chemosensor applications. In the chemosensor study, fluorophores show selective and sensitive responses with Fe2+ ions in the DMF/H2O solution (1 : 1, pH: 7.4, fluorophore: 5 μM). The quenching of fluorescence intensity with the addition of Fe2+ ion gives the correlation coefficient (R2) value above 0.99286, exhibiting good binding stoichiometry nature of fluorophores with Fe2+ than the oligoesters. The high detecting capability of oligoesters is further ascertained by its higher LOD than the monomer (5.05×10−7). The binding constant values of fluorophores obtained from the Benesi‐Hildebrand plot show that the oligoesters have a higher binding ability (1.0012–1.0025 M−1) with Fe2+ ion than the monomer (1.0011 M−1). The conductivity nature of the oligoester gradually increased with the contact time of iodine. After 96hr of iodine doping, EMDAP exhibits higher conductivity (1.98×10−3 Scm−1) than the other oligoesters due to higher electron‐density nitrogen atoms in the structure. The EMDOP shows high dielectric constant value because of its π‐π interaction, loosely attached π electrons and high dipole moment values. All these experimental results are validated with the theoretical (DFT) approach by optimizing the structure of the fluorophore with B3LYP/6‐311++G(d,p) level basis set. The DFT approach also explains the mechanism of fluorescence quenching and the exact binding sites of fluorophores with Fe2+ ions.
Response surface methodology based on the Box‐Behnken design for optimizing the synthesis of symmetrical anhydrides from acid chlorides using cerium (III) as a homogeneous catalyst
Authors: Larba Seif Eddine , Boukachabia Mourad , Zeror Saoussen , Bendjeffal Hacene , Bouaroudj Tayeb 
Published: July 2023

AbstractHere we report the synthesis of symmetrical carboxylic acid anhydrides from acid chlorides using cerium (III) as a homogeneous catalyst. The optimal experimental conditions (temperature at 40 °C, catalyst loading at 30 mg, 1.5 equivalents of base, and solvent volume at 1 mL) for the preparation of benzoic anhydride2 awere obtained using the Box‐Behnken design in combination with the response‐surface methodology. The analysis of variance showed that the presented quadratic model successfully performed the experimental data with coefficients of determination of R2=0.99. The predicted yield of synthesized anhydride2 aobtained from the RSM under optimal conditions was 98.63 %. A confirmation test of the optimal conditions proved the viability of the model and gave a yield of 97.27 %. Under the optimal conditions, the resulting synthesized anhydrides2 a–gwere obtained with good isolated chemical yields of 60 %<yield<96 %.
Antimycobacterial, Molecular Docking and ADME Studies of Spiro Naphthyridine Pyrimidine and N‐(Quinolin‐8‐yl)acetamide Derivatives
Authors: Satisha Sahana , Revanasiddappa Vijayakumar G. , Ramaiah Sivakumar 
Published: July 2023

AbstractTwo series of compounds viz., spiro naphthyridine pyrimidine derivatives and N‐(quinolin‐8‐yl)acetamide derivatives which possess the quinoline core moiety were designed and synthesized. The spectral analysis viz., FT‐IR, 1H‐NMR, 13C‐NMR and mass was carried out to establish the structures for the synthesized compounds. In vitro anti‐tubercular activity was done against Mycobacterium tuberculosis H37Rv by following “microplate alamar blue assay (MABA)”. The synthesized compounds showed good anti‐tuberculosis (TB) activity with the least minimum inhibitory concentration (MIC) value of 6.25 μg/mL. Computational molecular docking studies were performed out with Mycobacterium tuberculosis enoyl reductase (INHA) (PDB code: 4TZK) using AutoDock to predict the key binding interactions responsible for the activity and the Swiss ADME (absorption, distribution, metabolism, and excretion) tool computed the in silico drug likeliness properties. The synthesized title compounds create a way for the optimization and development of potential drugs against tuberculosis.
Preparation of a Durable CuO/ZnO/CeO2/ZrO2 Catalyst on an SiC Support by an Inverse Microemulsion/Precipitation Method for Methanol Steam Reforming
Authors: Zhou Hui , Sun Xiaoliang , Guo Wenming , Bao Tingting , Zhang Yi , Guo Chenxu , Xiao Hanning , Qin Hang , Gao Pengzhao 
Published: July 2023

AbstractDurable CuO/ZnO/CeO2/ZrO2 catalyst on SiC support for methanol steam reforming (MSR) was prepared by the combination of inverse microemulsion method and precipitation method which is termed as inverse microemulsion/precipitation method. The presence of Ce−O−Zr solid solution facilitated the production of oxygen vacancies and Ce3+ species in the prepared CuO/ZnO/CeO2/ZrO2 catalyst. Owing to the unique tiny reaction pool and the addition of precipitant for inverse microemulsion/precipitation method, the particle size of the prepared catalyst was principally between 2 and 6 nm, with an average size of 3.66 nm. Besides, the small particle size and the highly dispersed of Cu species boosted the reduction performance of the catalyst, enabling the reduction temperature to be only 201 °C. The methanol conversion of the reduced catalyst was still reached 98.8 % after 150 h, considerably higher than that of solution combustion method (70 %), without carbon deposition and pronounced sintering after MSR reaction.
Application of Modified Graphene Oxide in Corrosion Protection
Authors: Fu Lipei , Sun Tianyu , Shao Minglu , Xu Ziqiang , Liao Kaili , Zhu Heng , An Junnan , Jiang Lujun , Gu Feng 
Published: July 2023

AbstractGraphene oxide is an excellent additive in anti‐corrosion coatings because of its chemical inertness, permeation resistance, and high mechanical strength. In addition, the presence of oxygen‐containing functional groups on the surface of graphene oxide gives it hydrophilic properties while efficiently promoting chemical functionalization, thus enhancing its dispersibility and corrosion inhibition properties. Modified graphene oxide corrosion inhibitors are a new field of interest for corrosion scientists. This paper presents the primary research on graphene oxide as a novel corrosion protection material, including the synthesis of modified graphene oxide and its remarkable performance in corrosion protection coatings and corrosion inhibitors. Different kinds of modified graphene oxide coatings are outlined, including the research progress on modified graphene oxide innovative coatings with pH response in recent years. The synthesis of modified graphene oxide corrosion inhibitors and their corrosion inhibition mechanisms are reviewed. Finally, the typical role of modified graphene oxide in coatings and the prospect of its research are discussed.
Insights into the Interaction Mechanism of Boceprevir with SARS‐CoV‐2 Main Protease
Authors: Kaur Gurmeet , Goyal Bhupesh 
Published: July 2023

AbstractThe main protease (Mpro) of severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) is a prominent drug target as it plays a key role in viral replication and is greatly conserved in the coronaviruses with no homologues in the human genome. Ma et al. reported boceprevir, an FDA‐approved hepatitis C virus (HCV) drug, for inhibiting SARS‐CoV‐2 Mpro activity (IC50=4.13±0.61 μM). However, how boceprevir inhibits Mpro activity remains unexplored. The molecular dynamics (MD) simulations have been utilized in the present study to examine the mechanistic basis of the high‐affinity binding of boceprevir with SARS‐CoV‐2 Mpro. The molecular docking analysis depicted a strong binding (−7.5 kcal/mol) of boceprevir to Mpro due to its hydrogen bond interactions with catalytic dyad (Cys145) and oxyanion hole residues (Asn142, Gly143) of Mpro. MD simulations revealed the structural stability of the Mpro‐boceprevir complex during the whole simulation. The MD simulations illuminated key interactions of boceprevir with the residues lining the subpockets of the active site of Mpro, which is consistent with its high‐affinity binding with Mpro observed in the in vitro studies. The results from the current investigation will offer direction and valuable insights for developing novel Mpro inhibitors.
Identification of Azelastine and Carvedilol as Cholinesterase Inhibitors via Structure‐Based Virtual Screening of FDA‐approved Drugs
Authors: Sharma Mohit , Thakur Shikha , Jadhav Hemant R. , Bharate Sandip B. 
Published: July 2023

AbstractThe structure‐based virtual screening (SBVS) has gained immense importance in early drug discovery. Herein, we report the SBVS‐driven identification of new cholinesterase inhibitors from a library of FDA‐approved small molecule drugs (n=1760). The in vitro validation of top SBVS hits provided azelastine, dronedarone, and iloperidone as acetylcholinesterase (AChE) inhibitors with IC50 values of 9.2, 18.2, and 23.0 μM, respectively. The in vitro screening of top actives in the butyrylcholinesterase (BChE) inhibition assay provided carvedilol as a potent BChE inhibitor with an IC50 of 0.8 μM. Azelastine also inhibits BChE with IC50 of 4.89 μM, indicating its dual ChE inhibition activity. Azelastine and carvedilol also inhibit the self‐aggregation of Aβ1–42 with IC50 values of 4.6 and 2.2 μM, respectively. Both drugs cross blood‐brain barrier (BBB), as indicated by the parallel artificial membrane permeation assay. Results presented herein warrant exploring the repurposing potential of azelastine and carvedilol for Alzheimer's disease.
First N‐Functionalization of 4‐Nitroso‐1H‐Pyrazoles Using Monofunctional and Bifunctional Alkylating Agents
Authors: Bobrova Anastasiia V. , Krasnov Pavel O. , Radzhabov Amirbek D. , Kondrasenko Alexander A. , Root Evgeniy V. , Suboch Georgii A. 
Published: July 2023

AbstractThe direct N‐alkylation reactions of ambident 3,5‐substituted 4‐nitroso‐1H‐pyrazoles are described for the first time. An efficient method of the 4‐nitroso‐1H‐pyrazoles and their sodium alkyl‐, allyl‐ salts regioselective N‐alkylation by benzyl halides, halocarboxylic acids esters, and related bifunctional alkylating agents is established with the use of superbasic conditions or reflux in acetone. A series of new N‐functionalized nitrosopyrazoles and bis(4‐nitrosopyrazole) compounds is successfully obtained with a yield of up to 85 %. Using quantum‐chemical calculations, it is shown that in terms of kinetics and thermodynamics, the N‐alkylation of the considered pyrazoles is a more advantageous process than O‐alkylation.
Metal‐free Oxidation of Cyclic Sulfamides to Imines with Dioxygen as an Oxidant
Authors: Ma Peipei , Cao Yun , Gan Haifeng 
Published: July 2023

AbstractA novel metal‐free oxidation of aryl sulfamides to sulfonyl imines with dioxygen as an oxidant have been realized. The reactions proceeded in moderate to excellent yields. Mechanistic investigation suggests that alcohol compounds A can be the key intermediates for the formation of products 2.
Atomic‐scale interface engineering for two‐dimensional materials based field‐effect transistors
Authors: Hou Xiangyu , Jin Tengyu , Zheng Yue , Chen Wei 
Published: July 2023

AbstractTwo‐dimensional (2D) materials with free of dangling bonds have the potential to serve as ideal channel materials for the next generation of field‐effect transistors (FETs) due to their atomic‐thin and excellent electronic properties. However, the performance of 2D materials‐based FETs is still dictated by the interface between electrodes/dielectrics and 2D materials. Several technical challenges such as improving device stability, reducing contact resistance, and advancing mobility need to be overcome. Herein, we focus on the effects of atomic‐scale interface engineering on the contact resistance and dielectric layer for 2D FETs. Universal strategies we consider to achieve ohmic contact and develop high‐quality, defect‐free dielectric layers are provided. Furthermore, advancing the performance of 2D materials‐based FETs and binding to silicon substrates are briefly analyzed.
Designing Selenium Nanoadjuvant as Universal Agent for Live‐Killed Virus‐Based Vaccine
Authors: Deng Bo , He Xiaoming , Wang Dongdong , Wang Ying , Jiang Yalin , Chen Tianfeng , Xu Ligeng 
Published: July 2023

AbstractInactivated virus vaccines with whole antigen spectra and good safety are the commonly used modality for preventing infections. However, the poor immunogenicity greatly limits its clinical applications. Herein, by taking advantages of the crucial roles of Se in the functions of immune cells and its biomineralization property, it successfully in‐situ synthesized Se nanoadjuvant on inactivated viruses such as porcine epidemic diarrhea virus (PEDV), pseudorabies virus (PRV), and porcine reproductive and respiratory syndrome virus (PRRSV) in a facile method, which is universal to construct other inactivated virus vaccines. The nanovaccine can highly effectively enhance the uptake of PEDV/PRV/PRRSV into dendritic cells (DCs) and activate DCs via triggering TLR4 signaling pathways and regulating selenoproteins expressions. Furthermore, it exhibited better activities in triggering macrophages and natural killer cells‐mediated innate immunity and T cells‐mediated cellular immunity compared to PEDV and the commercial inactivated PEDV vaccine on both mice and swine models. This study provides a universal Se nanoadjuvant for developing inactivated viruses‐based nanovaccines for preventing virus infections.
Mediator Monomer Regulated Emulsion Interfacial Polymerization to Synthesize Nanofractal Magnetic Particles for Nucleic Acid Separation
Authors: Shen Xinyi , Zhang Yue , Wang Duanda , Huang Yanling , Song Yongyang , Wang Shutao 
Published: July 2023

AbstractPolymer‐based magnetic particles have been widely used for the separation of biological samples including nucleic acids, proteins, virus, and cells. Existing magnetic particles are almost prepared by coating polymers on magnetic nanoparticles (NPs). However, this strategy usually encounters the problem of poor magnetic NPs loading capacity. Here, a series of nanofractal magnetic particles (nanoFMPs) synthesized by a strategy of mediator monomer regulated emulsion interfacial polymerization is presented, which allows effective magnetic NPs loading and show efficient nucleic acid separation performance. The mediator monomers facilitate the dispersion of magnetic NPs in internal phase to achieve higher loading, and the hydrophilic monomers use electrostatic interactions to form surface nanofractal structures with functional groups. Compared with magnetic particles without nanofractal structure, nanoFMPs exhibit a higher nucleic acid extraction capability. This strategy offers an effective and versatile way for the synthesis of nanoFMPs toward efficient separation in various fields from clinical diagnosis to food safety and environmental monitoring.
Axial compressive behaviors of circular steel slag concrete‐filled steel tube slender columns
Authors: Lu Linhan , Liang Tao , Zhang Tianhe , Ren Qingxin , Wang Qinghe , Wang Sheng 
Published: July 2023

AbstractThis study aims to investigate the feasibility of using steel slag aggregate in concrete‐filled steel tubes by conducting axial compression tests on five groups of 10 circular steel slag concrete‐filled steel tube (SSCFST) slender columns. The failure mode, load–deformation curve, load–strain curve, axial bearing capacity, initial axial stiffness and ductility of the columns are analyzed. The effects of the steel slag replacement ratio and slenderness ratio on the axial compressive behaviors of the specimens are also quantified. These test results are employed to verify the reliability of a finite element model of the circular SSCFST slender columns established using Abaqus software. Then, a parametric analysis is conducted to explore the factors affecting the axial compressive behaviors of circular SSCFST slender columns. Moreover, the prediction accuracy of the existing design methods for the axial bearing capacity of circular SSCFST slender columns is evaluated. The results demonstrate that the ultimate bearing capacity of the specimens decreases by 2.3% and 3.1% on average, the initial stiffness decreases by 2.8% and 3.5%, and the ductility index decreases by 1.2% and increases by 1.6%, respectively, when the steel slag replacement ratio increases from 0 to 50% and 100%. The ultimate bearing capacity of the specimens decreases by 11.1% and 37.1% on average, the initial stiffness decreases by 6.3% and 28.8%, and the ductility index decreases by 5.1% and 12.2%, respectively, when the specimen slenderness ratio increases from 40 to 60 and 80. The confinement factor and slenderness ratio play a significant role in determining the axial compressive behaviors of SSCFST slender columns. The accuracy of the formulas provided in TCECS 625‐2019 and by Han is demonstrated in predicting the axial bearing capacity of circular SSCFST slender columns.