bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tailoring O‐Monodentate Adsorption of CO2 Initiates C−N Coupling for Efficient Urea Electrosynthesis with Ultrahigh Carbon Atom Economy
Authors: Zhou Min , Zhang Yan , Li Hu , Li Zhengyi , Wang Su , Lu Xihong , Yang Song 
Published: August 2024

AbstractThe thermodynamically and kinetically sluggish electrocatalytic C−N coupling from CO2 and NO3− is inert to initially take place while typically occurring after CO2 protonation, which severely dwindles urea efficiency and carbon atom economy. Herein, we report a single O‐philic adsorption strategy to facilitate initial C−N coupling of *OCO and subsequent protonation over dual‐metal hetero‐single‐atoms in N2−Fe−(N−B)2−Cu−N2 coordination mode (FeN4/B2CuN2@NC), which greatly inhibits the formation of C‐containing byproducts and facilitates urea electrosynthesis in an unprecedented C‐selectivity of 97.1 % with urea yield of 2072.5 μg h−1 mgcat.−1 and 71.9 % Faradaic efficiency, outperforming state‐of‐the‐art electrodes. The carbon‐directed antibonding interaction with Cu−B is elaborated to benefit single O‐philic adsorption of CO2 rather than conventional C‐end or bridging O,O‐end adsorption modes, which can accelerate the kinetics of initiated C−N coupling and protonation. Theoretical results indicate that the O‐monodentate adsorption pathway benefits the thermodynamics of the C−N coupling of *OCO with *NO2 and the protonation rate‐determining step, which markedly inhibits CO2 direct protonation. This oriented strategy of manipulating reactant adsorption patterns to initiate a specific step is universal to moderate oxophilic transition metals and offers a kinetic‐enhanced path for multiple conversion processes.
Application of a kosmotrope (Na2CO3) and chaotrope (NaCl) in chemometric optimization of aqueous two‐phase extraction of bioactive compounds in Hypoxis iridifolia
Authors: Lukheli Rangani Tracy , Tavengwa Nikita Tawanda , Mokgehle Tebogo Mphatlalala 
Published: August 2024

AbstractEnterolactone, coumaric acid and vitexin are polyphenolic compounds present in a variety of fruits, vegetables, cereals and plants. These bioactive compounds are in high demand due to their antioxidant property in various tissues and organs. The purpose of this study was to develop a simultaneous extraction method, an aqueous two‐phase extraction (ATPE) method, that would enable the extraction of these compounds from Hypoxis iridifolia. This environmentally friendly extraction method only applied water and ethanol as extraction solvents for these analytes from the plant matrix. After phase separation, the analytes were salted‐out from the aqueous phase into the organic phase with the aid of a chaotrope (NaCl) or kosmotrope (Na2CO3). Thereafter, the analytes were withdrawn by a micro‐pipette for analysis on the high‐performance liquid chromatography–photodiode array detector. Optimization was conducted using a central composite design, where three parameters were examined which involved percentage ethanol, centrifugation time and salt type. Generally, the optimized conditions for extraction were an ethanol percentage of 100% and a centrifugation time of 10 min, which yielded concentrations of 2942, 23,823 and 8881 mg kg−1 for enterolactone, vitexin and coumaric acid, respectively, in the presence of a kosmotrope. The optimized conditions of extraction in the presence of chaotrope were an ethanol percentage of 66% and a centrifugation time of 10 min with concentrations of 6727, 20,833 and 8618 mg kg−1 for enterolactone, vitexin and coumaric acid, respectively. The ATPE method involving Na2CO3 was a better extractant of all the compounds studied relative to that of NaCl. The superior extraction capability of Na2CO3 in ATPE could serve as a prototype for the development of efficient extraction methods to meet the high demand for medicinal compounds derived from natural products.
Fabrication, Preparation, Physicochemical Characterization, and Theoretical Studies of Some Novel Schiff Base Ciprofloxacin Metal Complexes: DNA Interaction and Biomedical Applications
Authors: Alhashmialameer Dalal , Mohamed Gehad G. , Al‐hawamy Yasser , Abdou Aly , Alshehri Hassan A. H. , Alkhatib Fatmah , Abu‐Dief Ahmed M. 
Published: August 2024

ABSTRACTNovel compounds with pharmacological activity were synthesized from Pd(II), Fe(III), Cr(III), Ni(II), and Cu(II) ions with 1‐cyclopropyl‐6‐fluoro‐4‐(2‐hydroxy‐phenylimino)‐7‐piperazin‐1‐yl‐1,4‐dihydro‐quinoline‐3‐carboxylic acid (CFAP). The ligand's NH and OH groups allowed it to interact with the metals as a neutral tridentate. The investigated novel compounds were described using 1H and 13C NMR spectra, FT‐IR spectrums, TGA and UV–Vis (conductance of molecules), and CHN‐analysis. Additionally, the pH profile of the CFAP complexes indicated great stability, and the complexes' stability constant was discovered in the solution. To extract important properties for CFAP and its complexes, computational research was used, CFAPCu, CFAPCr, CFAPNi, and CFAPFe have octahedral geometry, while CFAPPd has square planar geometry. To investigate the molecular geometry, density functional theory calculations (DFT) were carried out. The molar ratio and continuous fluctuation data confirmed that the (M:L) ratio was (1:1). In vitro tests were conducted to evaluate Schiff base's antimicrobial action ligand and its metal chelates against fungal and bacterial infections. The findings showed that the antimicrobial efficacy is as follows: When CFAPPd is compared to fluconazol and ofloxacin as reference medications, it is the highly inhibitor complex. The novel CFAP ligand and its complexes were investigated for In vitro carcinogenic potential against Hep‐G2, MCF‐7, and HCT‐116 cell lines. As compared to the medication vinblastine, the results once again demonstrated that CFAPPd is the most active agent. Moreover, the complexes demnstrated strong reactivity in capturing free radicals when their antioxidant activity was investigated. Viscosity, spectral investigations, and gel electrophoreses were used to identify the interaction between metal chelates and DNA. Every examined compound is shown to be an enthusiastic DNA binder by viscosity and spectrophotometric titration investigations. The heightened hydrophobic and electrostatic interactions between aromatic rings could be the cause of this. Ultimately, these compounds could be regarded as promising bioactive substances.
MCC950 as a promising candidate for blocking NLRP3 inflammasome activation: A review of preclinical research and future directions
Authors: Zheng Yujia , Zhang Xiaolu , Wang Ziyu , Zhang Ruifeng , Wei Huayuan , Yan Xu , Jiang Xijuan , Yang Lin 
Published: August 2024

AbstractThe NOD‐like receptor thermal protein domain associated protein 3 (NLRP3) inflammasome is a key component of the innate immune system that triggers inflammation and pyroptosis and contributes to the development of several diseases. Therefore, blocking the activation of the NLRP3 inflammasome has therapeutic potential for the treatment of these diseases. MCC950, a selective small molecule inhibitor, has emerged as a promising candidate for blocking NLRP3 inflammasome activation. Ongoing research is focused on elucidating the specific targets of MCC950 as well as assessfing its metabolism and safety profile. This review discusses the diseases that have been studied in relation to MCC950, with a focus on stroke, Alzheimer's disease, liver injury, atherosclerosis, diabetes mellitus, and sepsis, using bibliometric analysis. It then summarizes the potential pharmacological targets of MCC950 and discusses its toxicity. Furthermore, it traces the progression from preclinical to clinical research for the treatment of these diseases. Overall, this review provides a solid foundation for the clinical therapeutic potential of MCC950 and offers insights for future research and therapeutic approaches.
Fabrication of FeCu/CC Composite for Efficient Removal of Nitrate for Aqueous Solution Via Electrochemical Reduction Process
Authors: Li Weiman , Yin Qingbo , Liu Cuicui , Yang Shuqin , Jin Dongyu , Wang Xiuli , Song Laizhou 
Published: August 2024

AbstractThe electrochemical nitrate reduction (ENR) for the conversion of nitrate to nitrogen gas is a significant strategy to remediate the eutrophication in surface water. However, the exploitations and practical applications of suitable electrocatalysts still face great challenges. In this study, FeCu bimetal microparticles were deposited onto surface of carbon cloth (CC) to fabricate the FeCu/CC electrocatalyst for the removal of nitrate. Among obtained catalysts, the sample with Fe/Cu molar ratio of 1 : 15 (Fe1Cu15/CC) exhibits the excellent electroreduction efficiency for nitrate removal (R(NO3−), >90 %) but an ineffective selectivity of N2 formation (S(N2), ~23 %). After the anchor of reduced graphite oxide (rGO) to surface of Fe1Cu15/CC, at the optimized condition without the assistance of chlorine oxidation, R(NO3−) and S(N2) of rGO/Fe1Cu15/CC catalyst reach 94.2 % and 72.8 %. After 5 day endurance test, the values of R(NO3−) and S(N2) are still 82.9 % and 62.8 %, demonstrating the promising durability of this catalyst electrode. Meanwhile, the potential application of rGO/Fe1Cu15/CC was explored for the treatment of simulated wastewater discharged by urban wastewater treatment plant, the concentration of total nitrogen (TN) decreases from 15–1.17 mg/L, and this value is lower than TN threshold limit in Class IV of Chinese surface water quality standard.
Rational Design of Multi‐color Phosphorescent Carbon Dots Based on Binaphthyldiamine with Chiral Signals
Authors: Zhu Kai , Xiao Jiping , Bi Yingying , Nie Mingjun , Ai Lin , Feng Xun , Lu Siyu 
Published: August 2024

Comprehensive SummaryChiral phosphorescent materials have received extensive research owing to the unique properties of optical activity in recent years. Many phosphorescent carbon dots (CDs) materials have been reported, but the research on chiral phosphorescence is still in the exploratory stage. This work designs multi‐color room temperature phosphorescent (RTP) CDs with chiral signals, which are fully mixed with aromatic aldehyde precursors and chiral amino compounds precursors in a boric acid (BA) matrix and can be easily prepared by solvent‐free thermal method. The prepared (R)‐GCDs, (R)‐YCDs and (R)‐RCDs achieved phosphorescence emission at 545 nm, 582 nm, and 654 nm, respectively, and exhibited corresponding circular dichroism (CD) signals at 341 nm, 394 nm, 384 nm, and 380 nm, 448 nm, and 435 nm, respectively. The longest phosphorescence lifetime is up to 946 ms. Specifically, YCDs exhibit time‐dependent phosphorescence under UV excitation, and the afterglow time under white light excitation can reach 40 s. This article provides a new approach to the study of chiral phosphorescence.
Interfacial Electronic Structure Engineering of NiCo2Se4 and NiTe2 Nanorods for Enhanced Hydrogen Evolution Reaction
Authors: Bhat Muzaffar A. , Ul Islam Shahjahan , Majid Kowsar 
Published: August 2024

AbstractFinding the best candidates with outstanding electrocatalytic capabilities for the hydrogen evolution reaction is essential for realizing large‐scale hydrogen production through electrolysis. In this study, we synthesized NiCo2Se4 (NCS) and NiTe2 (NT) nanorod arrays using a hydrothermal method. The confirmation of catalyst formation was achieved through X‐ray diffraction analysis, electron microscopy imaging, and X‐ray photoelectron spectroscopy. Leveraging the plentiful heterointerfaces and synergistic effects arising from the incorporation of bimetallic components, the NCS/NT electrocatalyst demonstrates remarkable efficacy in catalyzing the hydrogen evolution reaction. It achieves a minimal overpotential of 163 mV to attain a current density of 50 mA cm−2, showcasing exceptional catalytic activity. Further exploration has revealed that the engineering of heterogeneous interfaces and the morphology of nanorods not only guarantee the exposure of numerous active sites and expedite electron‐mass transfer but also trigger electron modulation. Such modulation serves to fine‐tune the adsorptive and desorptive dynamics of reaction intermediates, culminating in an enhancement of the catalyst's inherent activity. This study illuminates the novel composite electrocatalyst with robust synergy, highlighting the pivotal role of their unique nanostructures in achieving high‐efficiency hydrogen production via electrolysis.
2‐Hydroxybenzaldehyde Azine and γ‐Cyclodextrin Based Colorimetric/Fluorescent Probe for Highly Sensitive and Selective Detection of Cu2+
Authors: Ganesan Vigneshkumar , Govindasamy Chandramohan , Shanmugasundaram Esakkimuthu , Vellaisamy Kannan , Krishnan Nithesh Kumar , Mani Murali Krishnan , Kaliyamoorthy Selvam , Liu Bo‐Tau , Thambusamy Stalin 
Published: August 2024

AbstractThe fluorescent probe provides a simple for detecting Cu2+ through fluorescence quenching of the Schiff‐base probes by Cu2+. However, the azine‐based probes often suffer from poor solubility and dispersibility in water and are easily interfered with by other competing ions, which significantly reduces their applicable potential. In this study, we synthesized a water‐dissoluble and highly fluorescent γ‐Cyclodextrin (γ‐CD)/2‐hydroxybenzaldehyde azine (2‐HBA) inclusion complex for Cu2+ detection. The inclusion of 2‐HBA into γ‐CD enhances its solubility in water and allows it to emit fluorescence. The as‐synthesized γ‐CD/2‐HBA probe exhibits high sensitivity for colorimetric and fluorescent detection of Cu2+, with detection limits reaching 2.72 and 1.53 nM, respectively. The results exceed most of those reported in the literature. The probe's structure and potential mechanism were systematically analysed using the experimental and theoretical methods.
Study on the Plastic Deformation Mechanism of Void‐Containing Twin‐Crystal Magnesium with Symmetric Tilt Grain Boundary Angles
Authors: Li Qin , Yao Junping , Wu Zhichen , Li Buwei , Chen Guoxing , Zhou Lanmin 
Published: August 2024

AbstractA twin‐crystal magnesium (Mg) model with 9 different symmetric tilt grain boundary (STGB) angles (20°–80°) with preset nanohole defects is established by atomsk and lammps software. The mechanical behavior of grain boundary (GB) angles on twin‐crystal Mg with cavity defects and its cavity evolution are simulated by the molecular dynamics method with embedded atomic potential, and the plastic deformation mechanism is revealed. The results show that the yield stress decreases with the increase of the STGB Angle during the stretching process. When the GB Angle increases from 20° to 80°, the yield stress decreases from 2.28 to 1.42 Gpa. This is because the larger the STGB Angle is, the larger the Schmidt factor is, and the easier it is to start dislocation slip during the stretching process. On the other hand, the larger the Angle of STGB, the more the number of atomic voids at the interface, and the more the number of dislocation nucleation points. The larger the Angle of STGB, the lower the strength of twinning Mg but the better the plasticity to avoid fracture. The plastic deformation mechanism mainly includes the nucleation of Shockley incomplete dislocation at STGBs, dislocation slip generates stacking faults (SFs), GB migration, and base plane dislocations.
The overall sustainability index (OSI): A suitable way to measure the sustainability of electrical industry in Italy
Authors: Carrabba Paola , Padovani Laura Maria , Di Giovanni Barbara 
Published: August 2024

AbstractThe objective of this research is to develop a comprehensive and effective quantitative method to measure the overall sustainability performance of electric companies in Italy. Due to the vast diversity of the sustainability issues, many methods have been developed to measure the sustainability performance of companies, but with results that are, in our opinion, not fully satisfactory, either because they are difficult to apply or because they only cover some of the sustainability aspects. In an attempt to overcome these shortcomings, we have applied a methodology to meet the requirements of our research, on the basis of its high versatility (https://lab24.ilsole24ore.com/qualita-della-vita/). The analysis was carried out on the 12 largest Italian electricity companies, by calculating the overall sustainability index (OSI) for the years 2020 and 2021, taking into account 56 different indicators, chosen from those made available by the Global Reporting Initiative (GRI) for corporate sustainability reporting. For a more comprehensive evaluation of the sustainability performance of the electricity companies, selected indicators were chosen from all the three pillars of sustainability (economic, environmental, social). The OSI results of this research have allowed to highlight the critical points of the corporate reporting systems on sustainability providing valuable indications on the targets achieved and achievable in view of the European Commission's Green Deal 2050. This work also highlighted the strengths and weaknesses of the method.
Skin supersolidity matters the performance and functionality of water droplets
Authors: Sun Chang Q. , Zhou Yong , Fang Hengxin , Wang Biao 
Published: August 2024

AbstractEven more fascinating than its bulk parent, a water droplet possesses extraordinary catalytic and hydro‐voltaic capability, elastic adaptivity, hydrophobicity, sensitivity, thermal stability, etc., but the underlying mechanism is still elusive. We emphasize herewith that the H‒O bond follows the universal bond order‒length‒strength correlation and nonbonding electron polarization regulation and the hydrogen bond cooperativity and polarizability notion regulates the performance of the coupling hydrogen bond (O:H‒O). Computational and spectrometric evidence consistently shows that molecular undercoordination shortens the intramolecular H‒O bond by up to 10% while lengthening the intermolecular O:H nonbond by 20% cooperatively with an association of electron polarization, making the 0.3‐nm thick droplet skin of a supersolid phase of self‐electrification. The supersolid skin dictates the performance and functionality of the droplet in chemical, dielectric, electrical, mechanical, optical, and thermal properties as well as the transport dynamics of electrons and phonons. The amplification of these findings could deepen our insight into the undercoordinated aqueous systems, including bubbles and molecular clusters, and promote deep engineering of water and ice.
Characterization of the thyroid hormones level in urine by liquid chromatography coupled to mass spectrometry focus in the antidoping field
Authors: Martínez_Brito Dayamin , Leogrande Patrizia , de la Torre Xavier , Romanelli Francesco , Botrè Francesco 
Published: August 2024

AbstractThis paper aims to study the metabolism of thyroid hormones (TH) in urine by liquid chromatography–tandem mass spectrometry (LC‐MS/MS). The method was applied to samples collected before and after the administration of sodium triiodothyronine (T3) and sodium levothyroxine (T4) to a euthyroid volunteer and to samples of athletes declaring and not declaring thyroid supplementation. Samples were analyzed by LC‐MS/MS after enzymatic hydrolysis, liquid–liquid, and solid‐phase extractions. Ratios between T3/thyronine and T4/3,3′‐T2 may be used for the detection of the administration of exogenous T3 in urine. Meanwhile, 3‐T1 concentrations may be used to detect exogenous T4 administration. Nevertheless, these markers may not work properly in hypothyroid population, as athletes seem to be. The levels of T3 and T4 of athletes were lower than those of a euthyroid state even when they are under administration of TH supplements. The HTP axis high efficiency does not allow observing differences between athletes who do not declare and those who declare having used TH supplementation by direct measurements of T3 and T4 in urine. The detection of TH administration in urine (triiodothyronine and levothyroxine) may work when dealing with euthyroid individuals. Nevertheless, in individuals with hypothyroidism where the tendency is toward the maintenance of homeostasis, and it may be not possible to detect their consumption by applying cut‐off values.
Construction of dendritic Pt–Pd bimetallic nanotubular heterostructure for advanced oxygen reduction
Authors: Wang Mingwei , Hu Zhiyi , Lv Jieheng , Yin Zhiwen , Xu Zhewei , Liu Jingfeng , Feng Shihao , Wang Xiaoqian , He Jiazhen , Luo Sicheng , Zhao Dafu , Li Hang , Luo Xuemin , Liu Qi , Liu Damin , Su Baolian , Zhao Dongyuan , Liu Yong 
Published: August 2024

AbstractCompositions and morphologies of Pt‐based electrocatalysts have great impact on the electrocatalytic activity and stability of oxygen reduction reaction (ORR). Herein, we report a novel design of one‐dimensional (1D) Pt–Pd dendritic nanotubular heterostructures (DTHs) by controlling the degree of Pt2+‐Pt reduction reaction and Pd‐Pt galvanic replacement reaction with uniform Pd nanowires as sacrificial templates. The obtained Pt–Pd bimetallic DTHs catalyst exhibited uniform and dense Pt dendritic nanobranches on the surface of 1D hollow Pt–Pd alloy nanotubes, possessing superior catalytic activity for ORR compared to state‐of‐the‐art commercial Pt/C catalysts. Typically, the Pt4Pd DTHs catalyst showed efficient mass activity (MA, 1.05 A mgPt−1) and specific activity (SA, 1.25 mA cmPt−2) at 0.9 V (vs. RHE), and the catalyst exhibited high stability with 90.4% MA retention after 20 000 potential cycles. The Pt–Pd bimetallic DTHs configuration combines the advantages of 1D hollow nanostructures and dense Pt dendritic nanobranches, which results in rich electrochemical active surface sites, fast charge transport, and multiple dendritic anchoring points contact on carbon support, thus boosting its catalytic activity and stability towards electrocatalysis.
Carbon fiber felt scaffold from Brazilian textile PAN fiber for regeneration of critical size bone defects in rats: A histomorphometric and microCT study
Authors: Pereira Kauê Alberto , Torquato Letícia Cavassini , Maciel Clarissa Carvalho Martins , Nunes Camilla Magnoni Moretto , Mantovani Ludmilla Oliveira , Almeida Nátaly Domingues , Lopes Sergio Lucio Pereira Castro , de Vasconcellos Luana Marotta Reis , Jardini Maria Aparecida Neves , Marcuzzo Jossano Saldanha , De Marco Andrea Carvalho 
Published: August 2024

AbstractThe objective of the present study was to evaluate the carbon fiber obtained from textile PAN fiber, in its different forms, as a potential scaffolds synthetic bone. Thirty‐four adult rats were used (Rattus norvegicus, albinus variation), two critical sized bone defects were made that were 5 mm in diameter. Twenty‐four animals were randomly divided into four groups: control (C)—bone defect + blood clot, non‐activated carbon fiber felt (NACFF)—bone defect + NACFF, activated carbon fiber felt (ACFF)—bone defect + ACFF, and silver activated carbon fiber felt (Ag‐ACFF)—bone defect + Ag‐ACFF, and was observed by 15 and 60 days for histomorphometric, three‐dimensional computerized microtomography (microCT) and mineral apposition analysis. On histomorphometric and microCT analyses, NACFF were associated with higher proportion of neoformed bone and maintenance of bone structure. On fluorochrome bone label, there was no differences between the groups. NACFF has shown to be a promising synthetic material as a scaffold for bone regeneration.