bluuebunny/crossref_metadata_2025_split huggingface dataset:
Predicting the current and future distribution of Monochamus carolinensis (Coleoptera: Cerambycidae) based on the maximum entropy model
Authors: Zhao Jiaqiang , Zou Xvbing , Yuan Fei , Luo Youqing , Shi Juan 
Published: September 2023

AbstractBACKGROUNDMonochamus carolinensis is an important vector of pinewood nematodes in North America that is under quarantine in several countries worldwide. The distribution of M. carolinensis was previously thought to be limited to North America; however, we discovered it during trapping in China in 2022. Using this discovery and information regarding the area of origin, we applied a machine‐learning algorithm based on the maximum entropy principle to predict the current and future (2050s, 2070s) potential distribution areas of M. carolinensis using bioclimatic variables.RESULTSThe biological suitability of M. carolinensis was mainly driven by precipitation factors (BIO18, BIO15, BIO19), with 87.18% of the potential distribution areas located in South America, Asia, North America and Africa. Future potential distribution areas of M. carolinensis are predicted to expand to high latitudes, with an average increase of 10 245 874.88 km2, and only 6.89% of the current suitable areas will become unsuitable. The potential distribution areas in 2070 are largest under the SSP585 scenario, with a 41.40% predicted increase (52 309 803.61 km2) above the current distribution, mainly reflecting an increase of the marginally and highly suitable areas.CONCLUSIONThe determination of dominant climatic factors and potential distribution areas will help provide an early warning for an M. carolinensis invasion, as well as provide a scientific basis for the spread and outbreak, facilitating development of effective governmental prevention and control measures. © 2023 Society of Chemical Industry.
Lipoic Acid Functionalized Silver Nanoprisms for Colorimetric Sensing of γ‐Aminobutyric Acid, Selenite and Myoglobin
Authors: Yele Sandesh Ravindra , Patel Mayurkumar Revabhai , Park Tae Jung , Kailasa Suresh Kumar 
Published: September 2023

AbstractSilver nanoprisms (AgNPRs) are synthesized by silver nitrate through chemical reduction method using sodium borohydride and hydrogen peroxide. AgNPRs were functionalized with lipoic acid (LA) and successfully integrated with UV‐visible spectrophotometry for simultaneous detection of multiple biomarkers such as γ‐aminobutyric acid (GABA), selenite, and myoglobin. The as‐prepared LA‐AgNPRs exhibited surface plasmon resonance (SPR) characteristic peak at 660 nm. The SPR band of LA‐AgNPRs was blue‐shifted to 439, 390, and 479 nm upon the addition of GABA, selenite, and myoglobin, respectively. The limits of detection are 6.32, 0.35 and 20.40 nM for GABA, selenite, and myoglobin, respectively. The LA‐AgNPRs sensor displays potential prospect to detect three biomarkers GABA, selenite, and myoglobin in biofluid samples.
Fabrication, Modification, and Mechanism of Nanofiltration Membranes for the Removal of Heavy Metal Ions from Wastewater
Authors: Nompumelelo Kubheka S M , Edward Nxumalo N , Muthumuni Managa , Moloko Matlala , Makwena Moloto J 
Published: September 2023

AbstractHeavy metals present in wastewater and water scarcity are a global challenge worldwide. The elimination of heavy metals in wastewater is necessary to protect the ecosystem and human health. Heavy metals such as lead, cadmium, and mercury are among many other toxic heavy metals present in wastewater. There are several conventional methods that have been implemented to mitigate heavy metal pollution in wastewater and according to literature, it has been evident that the nanofiltration (NF) separation technique requires minimal pressure to obtain high rejections of multivalent inorganic salts compared to conventional methods. NF separation process is highly competitive in terms of selectivity and cost‐benefit. The growing research trend of NF fabrication and modification collates that the technology has been applied in various industrial and municipality wastewater treatment facilities. The review paper aims to illustrate the health impacts of heavy metal exposure, the cons of conventional methods and the utilization of NF membranes in wastewater treatment, the overall factors affecting membrane performance, and future aspects of the separation techniques.
Corrosion Evaluation of Copper with Polystyrene‐Block‐Poly(ethylene‐ran‐butylene)‐Block‐Polystyrene Triblock (SEBS) Copolymer Coating in 3 % NaCl Solution by Using Response Surface Methodology
Authors: Masmoudi Fatma , Mkaouar Sameh , Amor Yasser Ben , Masmoudi Mohamed 
Published: September 2023

AbstractThe present research work undertakes the investigation of preparation of the polystyrene‐block‐poly (ethylene‐ran‐butylene)‐block‐polystyrene triblock (SEBS) copolymer coating on a copper surface (Cu‐SEBS) following a well‐defined immersion protocol. The SEBS ratio, drying temperature (Temp), and drying time (time) are the factors for the determination of the immersion protocol of the Cu‐SEBS electrode's preparation. To evaluate the effects of these factors on the anticorrosive behaviour of copper in NaCl 3 % solution and to determine the best conditions to produce a protective SEBS film on the copper surface (low corrosion rate), we used the experimental design and the central composite design (CCD). The response surface methodology (RSM) was used in this study as an optimization method and the Statgraphics software was used to treat experimental design data. The corrosion rate of Cu‐SEBS at the different runs of the experimental matrix was measured by voltammetry around the open circuit potential (OCP) (ΔE=±50 mV vs SCE). The analysis of variance, the Pareto graph and the figure of the main and combined effect of the experimental factors show that the SEBS rate is the most significant factor. The linear effect of time and Temp, the quadratic effect of SEBS ratio, and the interaction between SEBS ratio and the drying temperature is, even though important, less significant. The optimized parameters were determined to obtain the lower corrosion rate, which was a 3.059 % of SEBS ratio, 70.18 °C of drying temperature, and 21 min of drying time. Then, to confirm the model, an electrochemical investigation of SEBS‐coated copper at optimal conditions of immersion protocol (Cu‐SEBS‐Opt‐Cond) was successfully applied in a 3 wt % NaCl aqueous solution. The corrosion rate of Cu‐SEBS‐Opt‐Cond was obtained by voltammetry around the open circuit potential (OCP) equal 0.00023 mm year−1 which is close to that found by the experimental design. The measures of voltammetry around OCP, cyclic voltammetric (CV), and electrochemical impedance spectroscopy (EIS) showed that the Cu‐SEBS‐Opt‐Cond electrode exhibited more stability and a much higher corrosion resistance than that observed for bare copper.
Mechanistic Basis for Oxoammonium Salt‐Mediated Tertiary Alcohol Oxidative Transformation Decoded by Computations and Experiments
Authors: Ma Yumiao 
Published: September 2023

AbstractOxoammonium salts have demonstrated superior efficacy as reagents in mediating various reactions involving tertiary alcohols, including the eliminative functionalization of tertiary benzylic alcohols, oxidative rearrangement of tertiary allylic alcohols, and oxidative Nazarov cyclization. These reactions have been believed to be triggered by the addition of alcohols to the N−O double bonds of oxoammonium cations. However, in this work, a combination of density functional theory (DFT) and ab initio molecular dynamics (AIMD) calculations shows that the formation of this adduct is thermodynamically unfavorable. A thorough exploration of the possible mechanisms has shown that the reaction occurs through the ring opening of the oxoammonium cation. The oxoammonium cation acted as a masked tertiary carbocation and triggered the subsequent reactions. The computational results were further supported by control experiments and high‐resolution mass spectroscopy (HRMS) characterization.
Energetic N‐Nitramino‐Substituted 1,2,4‐Triazole and Corresponding Salts: Green Primary Explosives with Excellent Detonation Performance Based on 1,5‐Diamino‐3‐nitro‐1,2,4‐triazole
Authors: Tan Cheng , Lin Xiangyang , Zhang Xiya 
Published: September 2023

Abstract5‐amino‐3‐nitro‐1‐nitramino‐1,2,4‐triazole was synthesized through the nitration reaction of 1,5‐diamino‐3‐nitro‐1,2,4‐triazole, and several energetic salts were prepared based on the reactivity of the acidic proton in nitramino group (−NHNO2). These compounds were fully characterized by NMR (1H and 13C), IR spectroscopy, elemental analysis, and single‐crystal X‐ray diffraction. Their thermal stabilities were analyzed by differential scanning calorimetric (DSC) and Impact and friction sensitivities were determined using standard BAM technology. Moreover, the structural differences between individual compounds were studied to investigate the potential structure‐property relationship. All compounds possess positive heats of formation calculated based on isodesmic reaction to be between 173.7~454.6 kJ ⋅ mol−1. Among them, 5‐amino‐3‐nitro‐1‐nitramino‐1,2,4‐triazole (D=8682 m ⋅ s−1, P=33.0 GPa, IS=0.75 J), hydrazine salt (D=8908 m ⋅ s−1, P=34.9 GPa, IS=0.5 J) and hydroxylamine salt (D=9117 m ⋅ s−1, P=36.7 GPa, IS=2 J) exhibits desirable detonation properties similar to RDX (D=8795 m ⋅ s−1, P=34.9 GPa), calculated by Kamlet‐Jacobs equations and features comparable impact sensitivity with DDNP (IS=1 J). The simple synthetic route, free of heavy metals and superior detonation properties of above compounds make them serve as promising candidate for green primary explosives.
A Simple One‐Pot Pyrolyzed Synthesis of Ternary Magnetic ZnFe2O4/α‐Fe2O3/Biochar Nanocomposites for Adsorptive Removal of Direct Red 79 in Aqueous Solution
Authors: Thi Luyen Nguyen , Khanh Van Nguyen Thi , Van Dang Nguyen , Hoai Linh Pham , Van Hao Nguyen , Thanh Hoa Le Thi , Van Thanh Dang 
Published: September 2023

AbstractTernary magnetic ZnFe2O4/α‐Fe2O3/biochar nanocomposites (MBCs) were successfully synthesized by one‐pot pyrolysis in oxygen‐limited environment using ZnCl2, FeCl2 as an activating agent, and precursors. The following conditions were found to be optimal for MBCs: activation temperature of 700 °C, mass ratio of ZnCl2 and FeCl2 of 1, and activation time of 2 h. The prepared MBCs were evaluated for textural characteristics such as crystalline structure, surface chemical functional groups, vabriation mode, magnetic properties, pore structure, morphology and the adsorption capacity using the methods such as X‐ray diffraction, Fourier transform infrared spectroscopy, Raman spectra, vibrating sample magnetometer, N2 adsorption‐desorption isotherms, scanning electron microscopy and transmission electron microscopy. The prepared MBCs had porous structures, the highest SBET (782.37 m2 g−1), and pore volume (0.54 cm3 g−1) when the mass ratios of ZnCl2 and FeCl2 were 1, and the activation temperature was 700 °C, and the magnetic parameters were found at a Hc of 60 Oe, Ms of 13.03 emu g−1 and Mr of 1.07 emu g−1. Adsorption equilibrium studies indicate that the DR79 adsorption followed the Langmuir model and Sips model. The DR79 adsorption capacity of the MBC‐700‐1 has the largest value (676.8 mg g−1). The adsorption process was influenced by multiple diffusion steps, with the pore diffusion process serving as the rate‐controlling step. These findings show that MBCs adsorb DR79 efficiently and can be easily separated and recovered using an external magnetic field. The prepared MBCs have the potential to be high‐performance organic pollutant wastewater adsorbents.
Giant Plasma Membrane Vesicles as Cellular‐Mimics for Probing SARS‐CoV‐2 Binding at Single Particle Level
Authors: Dey Manorama , Dhanawat Garvita , Gupta Divya , Goel Ayush , Harshan Krishnan H , Parveen Nagma 
Published: September 2023

AbstractMembrane receptors, attachment factors and various other membrane factors play a critical role in the specific attachment of virus particles to a cell surface. Researchers have been employing a range of model systems starting from receptor‐reconstituted lipid membranes to live cells for quantitative evaluation of virus‐receptor/attachment factor interactions. In this work, we show that giant plasma membrane vesicles (GPMVs) derived from adherent cells are a suitable cell‐mimicking model system to examine the binding of SARS‐CoV‐2 to cellular receptors. We evaluated the binding of cell‐cultured SARS‐CoV‐2 to GPMVs by imaging single virus particles with the wide‐field fluorescence microscopy technique. The GPMVs were derived from three different cell lines, i. e., Vero, HEK293T and A549. We compared the number of bound virus particles per cell, cell‐attached GPMV, and cell‐free GPMV of three different cell lines. We explain the observed trend in the data from the expression level of endogenous ACE2 protein and also, conclude that the protein is functional in GPMVs for virus and antibody binding.
Improved Access to ‘Butterfly’ Di‐Iron Dithiolates Fe2(μ‐SR)2(CO)6 and their Mono‐ and Bis(phosphine) Adducts
Authors: Madlool Atheer M. , Wingrove Grace E. , Paran Rutterford Ben J. , Malik Ahmad , Kit River , Wright Joseph A. 
Published: September 2023

AbstractA series of Fe2(μ‐SR)2(CO)6 complexes {R=Me (1Me), Et (1Et), Pr (1Pr), iPr (1iPr), tBu (1tBu), PhCH2 (1Bn) and Ph (1Ph)} have been synthesised. Complexes 1Me, 1tBu, 1Bn and 1Ph were produced by addition of S2R2 to Fe3(CO)12, with all but 1tBu giving excellent yields. Two isomers of 1Me and 1Ph were isolated: the anti‐ and ‘open’ syn‐products. Complexes 1Et, 1Pr and 1iPr were synthesised by treatment of RSH with Fe3(CO)12; two isomers of each complex were isolated. Addition of one equivalent of PR’3 (R’=Me, Cy, Ph) yields the corresponding mono(phosphine) adducts, whilst use of two equivalents of the phosphine (under mild condition, reflux, or irradiation using a deep blue LED depending on SR group) affords the corresponding bis(phosphine) adducts in good to excellent yield. Treatment of 1Ph or 1Me with two equivalents of PMe3 gives the corresponding bis‐substituted phosphines when carried out in the absence of light but leads to oxidative cleavage to Fe(μ‐SPh)2(PMe3)2(CO)2 and Fe(μ‐SMe)2(PMe3)2(CO)2, respectively, under blue light irradiation. Treatment of 1Pr with two equivalents of PCy3 under blue light irradiation leads to reductive breakdown of the Fe−Fe bond to yield Fe(CO)3(PCy3)2, but in the dark at room temperature the desired product Fe2(μ‐SPr)2(PCy3)2(CO)4 may be isolated. Single crystal X‐ray structures were obtained for most family members of ‘butterfly’ {Fe2S2} cores. Cyclic voltammetry shows PMe3‐containing complexes undergo irreversible oxidation, whereas both PCy3 and PPh3 complexes show one (quasi)reversible oxidation, IR of in situ protonation showed COv blue shifting around 80–100 cm−1, while 31P{1H} NMR spectroscopy showed shifting to low field.
Long‐Range Electron Transport Rates Depend on Wire Dimensions in Cytochrome Nanowires
Authors: Kulke Martin , Olson Dayna M. , Huang Jingcheng , Kramer David M. , Vermaas Josh V. 
Published: September 2023

AbstractThe ability to redirect electron transport to new reactions in living systems opens possibilities to store energy, generate new products, or probe physiological processes. Recent work by Huang et al. showed that 3D crystals of small tetraheme cytochromes (STC) can transport electrons over nanoscopic to mesoscopic distances by an electron hopping mechanism, making them promising materials for nanowires. However, fluctuations at room temperature may distort the nanostructure, hindering efficient electron transport. Classical molecular dynamics simulations of these fluctuations at the nano‐ and mesoscopic scales allowed us to develop a graph network representation to estimate maximum electron flow that can be driven through STC wires. In longer nanowires, transient structural fluctuations at protein‐protein interfaces tended to obstruct efficient electron transfer, but these blockages are ameliorated in thicker crystals where alternative electron transfer pathways become more efficient. The model implies that more flexible proteinprotein interfaces limit the required minimum diameter to carry currents commensurate with conventional electronics.
Ternary Heteroatomic Doping Induced Microenvironment Engineering of Low Fe‐N4‐Loaded Carbon Nanofibers for Bifunctional Oxygen Electrocatalysis
Authors: Li Han , Zhao Haoyue , Yan Guilong , Huang Gongyue , Ge Can , Forsyth Maria , Howlett Patrick C. , Wang Xungai , Fang Jian 
Published: September 2023

AbstractFabricating highly efficient and long‐life redox bifunctional electrocatalysts is vital for oxygen‐related renewable energy devices. To boost the bifunctional catalytic activity of Fe‐N‐C single‐atom catalysts, it is imperative to fine‐tune the coordination microenvironment of the Fe sites to optimize the adsorption/desorption energies of intermediates during oxygen reduction/evolution reactions (ORR/OER) and simultaneously avoid the aggregation of atomically dispersed metal sites. Herein, a strategy is developed for fabricating a free‐standing electrocatalyst with atomically dispersed Fe sites (≈0.89 wt.%) supported on N, F, and S ternary‐doped hollow carbon nanofibers (FeN4‐NFS‐CNF). Both experimental and theoretical findings suggest that the incorporation of ternary heteroatoms modifies the charge distribution of Fe active centers and enhances defect density, thereby optimizing the bifunctional catalytic activities. The efficient regulation isolated Fe centers come from the dual confinement of zeolitic imidazole framework‐8 (ZIF‐8) and polymerized ionic liquid (PIL), while the precise formation of distinct hierarchical three‐dimensional porous structure maximizes the exposure of low‐doping Fe active sites and enriched heteroatoms. FeN4‐NFS‐CNF achieves remarkable electrocatalytic activity with a high ORR half‐wave potential (0.90 V) and a low OER overpotential (270 mV) in alkaline electrolyte, revealing the benefit of optimizing the microenvironment of low‐doping iron single atoms in directing bifunctional catalytic activity.
Brief overview of x‐ray fluorescence applications in Mongolian brown coal
Authors: Damdinsuren Z. , Zuzaan P. , Damdinsuren Bolortuya 
Published: September 2023

AbstractThe review provides an overview and description of the results obtained from our coal studies conducted over the past two decades. It places specific emphasis on crucial parameters, including the ash content and calorific value of lignite, which is the main energy source in Mongolia. Through the research, we observed that the ash content of coal can be estimated by analyzing the concentrations of key chemical elements, including Ca, Fe, and Sr. The results of ash content obtained from the x‐ray fluorescence analysis are consistent with the outcomes of chemical analysis. Furthermore, we established an inverse linear correlation between the calorific value of coal and its ash content. Building upon this correlation, we have proposed a method that allows for the direct determination of coal calorific value without relying on calorimetric measurements.
Reasoning About Regular Properties: A Comparative Study
Authors: Fiedor Tomáš , Holík Lukáš , Hruška Martin , Rogalewicz Adam , Síč Juraj , Vargovčík Pavol 
Published: September 2023

AbstractSeveral new algorithms for deciding emptiness of Boolean combinations of regular languages and of languages of alternating automata have been proposed recently, especially in the context of analysing regular expressions and in string constraint solving. The new algorithms demonstrated a significant potential, but they have never been systematically compared, neither among each other nor with the state-of-the art implementations of existing (non)deterministic automata-based methods. In this paper, we provide such comparison as well as an overview of the existing algorithms and their implementations. We collect a diverse benchmark mostly originating in or related to practical problems from string constraint solving, analysing LTL properties, and regular model checking, and evaluate collected implementations on it. The results reveal the best tools and hint on what the best algorithms and implementation techniques are. Roughly, although some advanced algorithms are fast, such as antichain algorithms and reductions to IC3/PDR, they are not as overwhelmingly dominant as sometimes presented and there is no clear winner. The simplest NFA-based technology may sometimes be a better choice, depending on the problem source and the implementation style. We believe that our findings are relevant for development of automata techniques as well as for related fields such as string constraint solving.
Braided quantum electrodynamics
Authors: Ćirić Marija Dimitrijević , Konjik Nikola , Radovanović Voja , Szabo Richard J. 
Published: September 2023

AbstractThe homotopy algebraic formalism of braided noncommutative field theory is used to define the explicit example of braided electrodynamics, that is, U(1) gauge theory minimally coupled to a Dirac fermion. We construct the braided L∞-algebra of this field theory and obtain the braided equations of motion, action functional and conserved matter current. The modifications of the electric charge conservation law due to the braided noncommutative deformation are described. We develop a braided generalization of Wick’s theorem, and use it to compute correlation functions of the braided quantum field theory using homological perturbation theory. Our putative calculations indicate that the braided theory does not contain the non-planar Feynman diagrams of conventional noncommutative quantum field theory, and that correlators do not exhibit UV/IR mixing.
Strichartz estimates for Maxwell equations in media: the structured case in two dimensions
Authors: Schippa Robert , Schnaubelt Roland 
Published: September 2023

AbstractWe prove Strichartz estimates for the two dimensional Maxwell equations with diagonal Lipschitz permittivity of special structure. The estimates have no loss in regularity that occurs in general for$$C^1$$C1-coefficients. In the charge-free case, we recover Strichartz estimates local-in-time for Euclidean wave equations in two dimensions up to endpoints.
Random Tensor Networks with Non-trivial Links
Authors: Cheng Newton , Lancien Cécilia , Penington Geoff , Walter Michael , Witteveen Freek 
Published: September 2023

AbstractRandom tensor networks are a powerful toy model for understanding the entanglement structure of holographic quantum gravity. However, unlike holographic quantum gravity, their entanglement spectra are flat. It has therefore been argued that a better model consists of random tensor networks with link states that are not maximally entangled, i.e., have non-trivial spectra. In this work, we initiate a systematic study of the entanglement properties of these networks. We employ tools from free probability, random matrix theory, and one-shot quantum information theory to study random tensor networks with bounded and unbounded variation in link spectra, and in cases where a subsystem has one or multiple minimal cuts. If the link states have bounded spectral variation, the limiting entanglement spectrum of a subsystem with two minimal cuts can be expressed as a free product of the entanglement spectra of each cut, along with a Marchenko–Pastur distribution. For a class of states with unbounded spectral variation, analogous to semiclassical states in quantum gravity, we relate the limiting entanglement spectrum of a subsystem with two minimal cuts to the distribution of the minimal entanglement across the two cuts. In doing so, we draw connections to previous work on split transfer protocols, entanglement negativity in random tensor networks, and Euclidean path integrals in quantum gravity.