bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large‐eddy simulation of a channel flow over an irregular porous matrix
Authors: Sadowski Wojciech , Sayyari Mohammed , Mare Francesca di 
Published: November 2023

AbstractFor turbulent flows in porous media, it is often assumed that the irregularity of the matrix would not affect the macroscopic, double‐averaged (in time and space), parameters of turbulence. Hence, to improve currently used modelling techniques, the ongoing efforts of the community are focused on performing high‐fidelity, scale‐resolving simulations of flows in regular, periodically repeating porous structures. This approach allows for minimizing still large computational cost, however, it assumes that results obtained from those geometries are generalizable to more disordered configurations. We investigate this assumption numerically using large‐eddy simulation and analyse the influence of the irregularity of the porous structure on turbulent characteristics in a fully turbulent flow in a channel half‐filled with porous medium. The flow statistics are examined and compared between four simulations, a reference channel with regular three‐dimensional porous matrix consisting of an array of cubes and three similar geometries created from randomly perturbing the positions of the cubes, with increasing mean value of cube displacement. We study double‐averaged flow properties, the distributions of double‐averaged Reynolds stress tensor, including the anisotropy of macroscopic turbulence and the drag force induced by the flow in the porous region of the channel. The results confirm the idea that the averaged characteristics, including the anisotropy of the stress tensor and the drag force, are not greatly influenced by the moderate perturbation to the geometry of the porous matrix. Additionally, the macroscopic turbulence seems to exhibit a high degree of anisotropy in the porous region and the adjacent boundary layer, suggesting that second‐order closure could be an adequate modelling choice for such flows.
Laponite/magnetite nanoparticles including waterborne latexes and effect of conditions for stable composite latexes
Authors: Kartaloğlu Nurullah , Delibaş Ali 
Published: November 2023

AbstractRecent studies have emphasized that the inclusion of magnetic nanoparticles (MNPs) in the polymer structure with the mini‐emulsion technique is the most ideal technique in terms of controlling their physical (size, shape, etc.) and chemical (surface chemistry, etc.) properties. In this study, MNPs were modified with clay (laponite) and made compatible with polymers. Then, clay‐modified MNPs (laponite/magnetite, LAM) were incorporated into acrylic polymers by semibatch mini‐emulsion polymerization in an oil phase containing monomer, initiator, and hydrophobic substance. The contribution of clay content to the functionality of MNPs and the properties of polymer nanoparticles containing LAM were investigated. The structures of the synthesized nanoparticles and polymeric materials were elucidated by Fourier transform infrared spectroscopy and X‐Ray Diffraction (XRD) analyses. The morphology of the latexes was clarified by atomic force microscope (AFM) and field emission scanning electron microscope (FESEM) Scanning transmission electron microscopy (STEM) analyses, and the atomic percentage values were determined by FESEM‐EDAX detector analysis. Thermal properties were determined by differential scanning calorimetry and thermogravimetric analysis, and strength endurance was determined by a tensile test. The results showed that LAM could be successfully incorporated into the polymer structure without precipitation by mini‐emulsion polymerization, and this technique is suitable for the preparation of nanocapsules. Moreover, it was determined that MNPs increased particle sizes and viscosity of the latexes. Also, increase in surface roughness with enhanced nanoparticle concentration was observed from the AFM images. The composite latex with 2% LAM showed the greatest increase in mechanical characteristics.Highlights
LAM nanoparticle Synthesis was carried out.
Stable nanocomposite of LAM nanoparticle in latexes was achieved via mini‐emulsion polymerization.
LAM successfully incorporated to the acrylic latexes without precipitation.
Properties of the acrylic latexes were improved by incorporation of LAM.
Spirometry in the diagnosis of cough variant asthma in children
Authors: Tian Chunyu , Xiong Shiqiu , Li Shuo , Song Xin , Zhang Yantao , Jiang Xinmei , Hou Xinyue , Zhang Yifan , Liu Chuanhe 
Published: November 2023

AbstractObjectiveThis study aimed to assess the diagnostic utility of spirometry, particularly focusing on small airway parameters, in children with cough variant asthma (CVA).MethodsThis study included children aged 5–12 years with a diagnosis of CVA. Pre‐ and postbronchodilation spirometry parameters, including FEV1%pred, FVC%pred, FEV1/FVC%pred, PEF%pred, FEF25%pred, FEF50%pred, FEF75%pred, MMEF%pred, were recorded. Receiver operating characteristic curves were plotted, and the area under the curve (AUC) was calculated to assess the discriminatory potential of these spirometry parameters for CVA. A prediction model based on logistic regression (LR) was performed.ResultsA total of 200 patients with CVA and 73 control subjects were included. Baseline spirometry parameters in the CVA group, except for FVC%pred, were significantly lower compared to the control group. After inhalation of salbutamol sulfate, all parameters showed significant improvement in the CVA group. However, these parameters, except for FEV1%pred and FVC%pred, remained lower in the CVA group compared to the control group. The improvement rate of each parameter in the CVA group, except for ∆FVC%, was significantly higher than that in the control group. △MMEF% achieved the highest AUC of 0.797 with a threshold value of 16.09%, followed by △FEF75% (0.792), △FEV1% (0.756), and △FEF50% (0.747) with threshold values of 19.01%, 4.48%, and 19.4%, respectively. The clinical prediction model included four variables (age, △FEF25%, △FEF75%, and △MMEF%) and demonstrated excellent performance distinguishing patients with and without CVA (AUC = 0.850). In the CVA group, the △FEV1% showed a positive correlation with small airway parameters.ConclusionsThis study highlights that children with CVA exhibit lower pulmonary function parameters compared to healthy children. Changes in small airway parameters during bronchodilator tests can be valuable in diagnosing CVA, and the LR prediction model incorporating age and several pulmonary parameters can assist physicians in accurately identifying CVA in clinical practice.
AdS Black Hole Thermodynamics and Microstructures from f(Q)$f(Q)$ Gravitation
Authors: Sokoliuk Oleksii , Pradhan Sneha , Baransky Alexander , Sahoo Pradyumn Kumar 
Published: November 2023

AbstractThe significant properties and phase transition of charged Anti‐de Sitter (AdS) black holes have been extensively studied in a variety of modified theories of gravity in the presence of numerous matter fields. The goal of the current research is to investigate the AdS black hole's thermodynamics under the impact of gravity. Additionally, this paper explores the black hole's local stability and phase structure under the relevant gravity. Besides, Ruppeiner geometry is used to look into the AdS black hole's microscopic structure. The Ricci curvature scalar R to explain the interactions between the AdS black hole's microscopic particles under the influence of gravity have been numerically computed.
Adaptive event‐triggered control for nonlinear systems with time‐varying parameter uncertainties
Authors: Chu Lei , Liu Yungang 
Published: November 2023

AbstractThe paper considers adaptive event‐triggered control for nonlinear systems with time‐varying parameter uncertainties. The time‐varying uncertainties do not need to be differentiable, but their variation amplitudes are required to be known. Such uncertainties appear not only in the system nonlinearities but also as the control coefficient. We pursue a tight design scheme by combining tuning functions and the congelation of variables method, thereby avoiding the overuse of dominations and obtaining a less conservative controller. In view of the essence of the control problem, we don't design a continuous controller first and then search for a complex and suitable event‐triggering mechanism, as emulation methods done in the literature. In contrast, we adopt a simple event‐triggering mechanism with the relative threshold, while seeking a complex and appropriate adaptive controller which contains the new adaptive treatment for execution error due to the unknown time‐varying control coefficient. Note that there are three parameter dynamic compensators in the adaptive controller, and one is specialized to the execution error, which is not required in the continuous feedback context. It is shown that with the proposed adaptive event‐triggered controller, all the closed‐loop signals are bounded, the system state converges to zero, and no Zeno behavior occurs. A comparative simulation is provided to verify the theoretical results.
Large constellations for fast acquisition and delivery of information: Design and analysis by stereographic projection onto the equatorial plane
Authors: Carletta Stefano , Pontani Mauro , Teofilatto Paolo 
Published: November 2023

SummaryRecent space projects are designed by satellite constellations with a large number of spacecraft, a global character (i.e., from equatorial to high inclination orbits), and the possibility to transfer information to different satellites of the constellation (inter satellite link) in order to deliver the information to the ground as soon as possible. To cope with a large number of parameters, a fast tool for constellation design, performance evaluation and networking strategies is needed. The aim of this paper is to obtain the performance of any constellation in less than 1 s, even when the number of satellites in the constellation and the duration of the analysis is large (e.g., more than 200 satellites in a period of some days). The proposed algorithm is based on analytical formulae obtained by using the stereographic projection on the equatorial plane of the satellite orbits and the projection of the target and ground station orbits. It is believed that the two‐dimensional projection proposed here can offer some advantages with respect to the spatial analysis of satellite orbits and their ground tracks, such as the reduction in time required to calculate station/satellite and satellite/satellite encounter conditions, and the clear and simple representation of the motion of the satellite of the constellation and of the ground stations of interest.
Effect of Zn Doping on Structure and Electrical Properties in Co3O4/Zn Nanocomposites with Different Morphology
Authors: Koroleva Alexandra V. , Ilin Alexander S. , Smirnova Valeriya V. , Martyshov Mikhail N. , Platonov Vadim B. , Rumyantseva Marina N. , Forsh Pavel A. , Kashkarov Pavel K. 
Published: November 2023

AbstractTwo different comparatively simple methods were used to synthesize Co3O4/Zn nanocomposites in the form of nanoparticles and nanofibers with a Zn content of 0 to 33 mol%. It is shown that composites in the form of nanoparticles are a ZnxCo3‐xO4 solid solution having a spinel structure. Samples in the form of nanofibers, starting with a concentration of zinc atoms of 20 mol% and higher, in addition to the spinel structure, also contain crystalline zinc oxide ZnO. It has been established that the conductivity of composites of both types increases by 4–5 orders of magnitude upon the introduction of Zn atoms. The increase in conductivity is explained by the incorporation of zinc atoms into the crystal lattice of cobalt oxide spinel. The optimal content of zinc atoms, at which the samples have the highest conductivity, has been determined. The ability to control the conductivity of cobalt oxide Co3O4 both in the form of nanoparticles and in the form of nanofibers by introducing Zn atoms has been demonstrated. The results obtained make it possible to understand the features of electric transport in such low‐dimensional systems, and are also of interest for various practical applications, in particular, gas sensors and catalytically active materials.
Enhancement of graphitic carbon nitride (g‐C3N4) assisted photodegradation of Rhodamine B under visible light
Authors: Kishore Kumar Dora Easam Ram , K S Rajmohan 
Published: November 2023

AbstractIn the current work, the g‐C3N4 photocatalyst was produced by thermal polycondensation of melamine. The Characterization techniques XRD, SEM, FTIR, UV‐DRS, PL, and BET were investigated to find out inherent properties. The PL spectra of the g‐C3N4 photocatalyst showed good absorbance in visible regions for faster degradation of Rhodamine B (RhdB). The synthesized g‐C3N4 photocatalyst is employed for decolorization and demineralization of RhdB about 73 % and 80 % in 105 min and 480 min under visible light. Further, the addition of H2O2 and H2SO4 to RhdB solution in the presence of g‐C3N4 showed enhanced results when compared to g‐C3N4 alone. Moreover, it reduces the time for the removal of RhdB. Simultaneously impeding shift of the maximum absorption peak of RhdB represents alteration of the degradation mechanism. Under alike conditions of photodegradation, after the addition of H2O2 and H2SO4 to the dye solution. The removal of RhdB is enhanced to 98 % and 95 % in 40 min, and 60 min for 5 mg/l and 10 mg/l respectively for H2O2. Further, the addition of H2SO4 enhances efficiency up to 87 %, and 95 % in 50 min, and 80 min respectively for 5 mg/l and 10 mg/l. The overall H2O2 addition showed better efficiency and better rate constants.
New Flavone Derivatives Targeting BET Proteins in Cancer: Synthesis, Structure Analysis and Investigation of Bromodomain Inhibitory Activities**
Authors: Gultekin Isilay , Ozkan Erva , Bakar‐Ates Filiz , Bozdag‐Dundar Oya 
Published: November 2023

AbstractBromodomains (BRDs) are key transcriptional regulators that control expression of genes. Dysfunction of BRDs has been associated with the development of aggressive tumors. BRDs have emerged as attractive candidates for the development of inhibitors targeting gene transcription. Flavones can act as a potent anticancer agent. In this paper, a series of ten new flavonylquinazoline sulfonamide compounds (FQ1‐FQ10) was synthesized and their cytotoxicity was investigated in human A549 lung carcinoma, MCF‐7 breast carcinoma ve K562 myeloid leukemia cell lines. The most cytotoxic compounds FQ1 and FQ6 were tested for their bromodomain containing 2 protein (BRD2), bromodomain containing 3 protein (BRD3) and bromodomain containing 4 protein (BRD4) inhibitor activities. The results showed that new FQ1 and FQ6 flavone compounds exhibited BRD2, BRD3 inhibitor activity. We suggest that flavonylquinazoline sulfonamide compounds have the potential to inhibit bromodomain activity, thus may be pharmacologically of interest for further investigations.
Synthesis and Characterization of a Mononuclear Nickel (II) Complex: Its Dual Electrocatalytic Performance towards Hydrogen Evolution Reaction and Hydrazine Oxidation
Authors: Barma Arpita , Sarkar Abhimanyu , Roy Suparna , Show Bibhutibhushan , Roy Partha 
Published: November 2023

AbstractThere is high demand of clean and sustainable energy where hydrogen can be an alternative instead of fossil fuel. We report here synthesis, characterization and applications of a mononuclear Ni(II) complex, [Ni(L)2] (1), with a salen type ligand, 2,2′‐((1E,1′E)‐(propane‐1,2‐diylbis(azanylylidene))bis(methanylylidene))bis(4‐bromophenol) (H2L). It has been obtained by a mild reaction with high yield. It has been characterized by the standard analytical techniques. Complex 1 has been used as an electrocatalyst in hydrogen evolution reaction where acetic acid is used as a proton source in DMF with a TOF value of 182.11 s−1. Various control experiments and results suggest the relevance of Complex 1 as the efficient electrocatalyst in the hydrogen generation from acetic acid. The metal complex has been deposited on a glassy carbon electrode and used efficiently in electrocatalytic oxidation of hydrazine.
Single‐Step Synthesis, Characterization, Molecular Docking Studies and In Vitro Analysis of Norethindrone Conjugates
Authors: Srivastava Sangeeta , Kumar Anant , Pandey Saumya , Parveen Shama , Banerjee Monisha 
Published: November 2023

AbstractIn the present work (17‐ethynyl‐13‐methyl‐3‐oxo‐2, 3, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17‐tetradecahydro‐1H‐cyclopenta[a]phenanthren‐17‐yl‐ethyl‐7‐methyl‐4‐oxo‐1,4‐dihydro‐1,8‐naphthyridine‐3‐carboxylate)and (17‐ethynyl‐13‐methyl‐3‐oxo‐2, 3, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17‐tetradecahydro‐1H‐cyclopenta[a]phenanthren‐17‐yl 2‐(4‐chlorophenoxy) acetate), anovel prodrugs of norethindrone have been synthesized. The structure of the synthesized compounds were characterized with the help of 1H, 13C NMR, UV, and IR spectroscopy.Norethindrone is used for contraception or hormone‐related conditions such as endometriosis and menopausal symptoms and to treat bacterial infections in a variety of pharmaceutical formulations. Molecular docking studies of the synthesized compounds explained the most probable interaction pattern with cyclooxygenase‐2 (1CX2),human estrogen receptor (2OCF) and RSK‐4N‐terminal kinase(6G77). Compound 2 & 3 possessedanti‐inflammatoryand cytotoxic activity besides contraceptive. Both thesynthesized compounds were found to be more potent than norethindrone as revealed from the binding energy and in‐vitro cytotoxic activity against lung cancer cells. Anti‐inflammatory and cytotoxic activity for norethindrone is reported for the first time.
Watching (De)Intercalation of 2D Metals in Epitaxial Graphene: Insight into the Role of Defects
Authors: Niefind Falk , Mao Qian , Nayir Nadire , Kowalik Malgorzata , Ahn Jung‐Joon , Winchester Andrew J. , Dong Chengye , Maniyara Rinu A. , Robinson Joshua A. , van Duin Adri C. T. , Pookpanratana Sujitra 
Published: November 2023

AbstractIntercalation forms heterostructures, and over 25 elements and compounds are intercalated into graphene, but the mechanism for this process is not well understood. Here, the de‐intercalation of 2D Ag and Ga metals sandwiched between bilayer graphene and SiC are followed using photoemission electron microscopy (PEEM) and atomistic‐scale reactive molecular dynamics simulations. By PEEM, de‐intercalation “windows” (or defects) are observed in both systems, but the processes follow distinctly different dynamics. Reversible de‐ and re‐intercalation of Ag is observed through a circular defect where the intercalation velocity front is 0.5 nm s−1 ± 0.2 nm s.−1 In contrast, the de‐intercalation of Ga is irreversible with faster kinetics that are influenced by the non‐circular shape of the defect. Molecular dynamics simulations support these pronounced differences and complexities between the two Ag and Ga systems. In the de‐intercalating Ga model, Ga atoms first pile up between graphene layers until ultimately moving to the graphene surface. The simulations, supported by density functional theory, indicate that the Ga atoms exhibit larger binding strength to graphene, which agrees with the faster and irreversible diffusion kinetics observed. Thus, both the thermophysical properties of the metal intercalant and its interaction with defective graphene play a key role in intercalation.
Sequentially‐Activated Antibodies Based on Programmable DNA Tags for Rapid Multiplexed Protein Imaging
Authors: Lv Yuheng , Fu Qin , Xu Yi , Shi Peng 
Published: November 2023

AbstractThe achievement of rapid multiplexed protein imaging is limited by the use of stimulating reagents, extensive incubating and washing steps, and the low fluorescence intensity of targets. In this study, sequentially‐activated DNA tags are developed and combined them with primary antibodies using signal enhancement strategies to create sequentially‐activated antibodies (SAAs). These SAAs enable rapid, wash‐free sequential imaging of different protein targets. The samples are pre‐processed to label all targets of interest with SAAs simultaneously, and the signal is turned ON for only one target in each stage. The sequential imaging of multiple targets is achieved through wash‐free strand displacement reactions that exhibit rapid kinetics with t1/2 < 10 s in a cellular context. Remarkably, this method successfully demonstrates sequential imaging of nine different protein targets within just a few minutes. This all‐in‐one platform for multiplexed protein imaging holds great promise for diverse applications in immunofluorescence imaging.
An accurate and parameter‐free analysis for the converse Poynting effect in large constrained torsion of highly elastic soft tubes
Authors: Tan Long‐Xu , Kang Jia , Liu Quan‐Pu , Wang Si‐Yu , Bruhns Otto , Xiao Heng 
Published: November 2023

AbstractNew exact solutions to large constrained torsion of highly elastic soft tubes are obtained from a new hyper‐elastic constitutive model. This new model is established with a new form of the multiaxial elastic potential toward simultaneously matching multiple data sets for three benchmark modes, including the uniaxial extension of a bar, the equi‐biaxial extension of a thin plate and the plane‐strain extension of a plate strip. With the new model, exact closed‐form solutions to the stress responses for these benchmark modes are first derived and shown to be of decoupled nature, and, then, an accurate analysis for the converse Poynting effect of twisted highly elastic tubes with fixed ends is presented with a new technique in treating nonlinear coupling complexities. The main novelties are incorporated as follows. First, multiple data sets for three benchmark modes can be accurately and automatically matched with no need to identify any unknown parameters; next, the nonlinear coupled system of the governing equations for four variables in a twisted tube, including the averaged radius and the wall‐thickness as well as the axial constrained stress and the shear stress, can be reduced to treating a single nonlinear equation; and, accordingly, the nonlinear coupling complexities can be worked out and exact results are obtainable.
Wigner Equations for Phonons Transport and Quantum Heat Flux
Authors: Camiola V. D. , Romano V. , Vitanza G. 
Published: November 2023

AbstractStarting from the quantum Liouville equation for the density operator and applying the Weyl quantization, Wigner equations for the acoustic, optical and Z phonons are deduced. The equations are valid for any solid, including 2D crystals like graphene. With the use of Moyal’s calculus and its properties, the pseudo-differential operators are expanded up to the second order in $$\hbar $$
ħ
. An energy transport model is obtained by using the moment method with closure relations based on a quantum version of the Maximum Entropy Principle by employing a relaxation time approximation for the production terms of energy and energy flux. An explicit form of the thermal conductivity with quantum correction up to $$\hbar ^2$$

ħ
2

order is obtained under a long-time scaling for the most relevant phonon branches.