bluuebunny/crossref_metadata_2025_split huggingface dataset:
What is (quantitative) system dynamics modeling? Defining characteristics and the opportunities they create
Authors: Naugle Asmeret , Langarudi Saeed , Clancy Timothy 
Published: February 2024

AbstractA clear definition of system dynamics modeling can provide shared understanding and clarify the impact of the field. We introduce a set of characteristics that define quantitative system dynamics, selected to capture core philosophy, describe theoretical and practical principles, and apply to historical work but be flexible enough to remain relevant as the field progresses. The defining characteristics are: (1) models are based on causal feedback structure, (2) accumulations and delays are foundational, (3) models are equation‐based, (4) concept of time is continuous, and (5) analysis focuses on feedback dynamics. We discuss the implications of these principles and use them to identify research opportunities in which the system dynamics field can advance. These research opportunities include causality, disaggregation, data science and AI, and contributing to scientific advancement. Progress in these areas has the potential to improve both the science and practice of system dynamics. © 2024 The Authors. System Dynamics Review published by John Wiley & Sons Ltd on behalf of System Dynamics Society.
Function‐Oriented Design of Amorphous MoS2 with Abundant Active Sites for High‐Efficiency Hydrogen Evolution Reaction
Authors: Belhadj Hamza , Messaoudi Yazid , Khelladi Mohamed R. , Azizi Amor 
Published: February 2024

AbstractMolybdenum disulfide (MoS2) has received great interest as a highly active and cost‐effective electrocatalyst for hydrogen evolution reaction (HER). However, a main challenge for developing high‐efficiency electrocatalysts is to tailor the factors affecting the HER performance, such as composition, structure, and morphology. Herein, amorphous MoS2 electrodes with different Mo and S contents are successfully synthesized by the chemical bath deposition method using different molar ratios of Mo/S precursors (Mo/S: 4 : 1, 1 : 1 and 1 : 4) at various growth times. Experimental results indicate that the composition and the surface morphology of MoS2 are strongly sensitive to the Mo and S contents, which can create different surface roughness at the interface induced by growth times. The as‐prepared MoS2 electrode with a molar ratio of 1 : 4 exhibits superior HER activity in 1 M KOH, only requiring low overpotentials of 220 mV at 20 mA cm−2, which is much lower than those of MoS2 with a molar ratio of 1 : 1 (253 mV), and 4 : 1 (290 mV), respectively. This outstanding electrochemical performance of MoS2 (Mo/S, 1 : 4) with excellent long‐term stability can be attributed to its unique sulfur‐rich MoS2 nanosheet array structure with exposed abundant active sites, a high electrochemical active surface area (ECSA: 955.50 cm2) and superior roughness factor (RF: 3822).
Bio‐fabrication of Zinc oxide nanoparticles using Strobilanthes cordifolia: Characterization and evaluation of antioxidant, anti‐cholinergic, anti‐inflammatory and wound healing activities
Authors: Kirubakaran Dharmalingam , Selvam Kuppusamy , Subramanian Shivakumar Muthugounder , Rajkumar Manickam , Kannan Soundarapandian , Navina Balakrishnan 
Published: February 2024

AbstractStrobilanthes cordifolia has emerged as a promising material in traditional medicine. In this study, we have made an attempt to synthesize zinc oxide nanoparticles derived from S. cordifolia leaf. The team employed a wide range of techniques including UV, FT‐IR, XRD, FE‐SEM with EDAX, HR‐TEM with SAED, DLS, Zeta potential, BET and PZC analysis to thoroughly examine the properties of the NPs. FTIR analysis provided evidence of various functional groups within the NPs. XRD analysis demonstrated the crystal nature and phase purity of the NPs. SEM analysis showcased the spherical shape of the particles, while TEM revealed their rod‐like shape with sizes averaging at approximately 10 nm. DLS analysis indicated the average particle size, and the high zeta potential value confirmed the stability and BET analysis deciphered the specific surface area of the biosynthesized NPs. The NPs confirmed strong antioxidant properties with DPPH, ABTS, and hydroxyl radicals. Enzyme studies confirmed good anti‐cholinergic activity and anti‐inflammatory efficacy, highlighting their potential therapeutic benefits. The NPs demonstrated promising wound healing properties. Overall, this research study sheds light on the medicinal aspects of zinc oxide nanoparticles from S. cordifolia leaf extract and it offers exciting prospects for future exploration and development in this field.
Electric Field‐induced Orientation of Carbon Nanomaterials in Dispersions
Authors: Du Jennifer Runhong , Zheng Jingfeng , Ma Kailai , Du Chunliang , Zhou Dechen 
Published: February 2024

AbstractCarbon nanomaterials (CNMs) exhibit excellent performance and potential application value in optical, electric, magnetic and thermal owing to their unique low dimensional structures, high specific surface areas and excellent electrical conductivities, however, the random orientation of CNMs in polymer dispersions negatively affects their optimal performances. Herein, the orientation of CNMs induced by an electric field in dispersions was investigated. The arrangement of carbon black, carbon nanotubes and graphite nanoplatelets in solvents under an electric field was characterized using a stereoscopic microscope. The effects of solvent type, nanomaterial concentration and electric field conditions on the orientation of the CNMs were systematically investigated. The results showed that the CNMs generally exhibited good electric field‐induced orientations in solvents with a low relative dielectric constant. The orientation structure resulting from using an appropriate CNMs concentration was relatively uniform and continuous. In particular, a more regular orientation structure was achieved upon applying an electric field (100 V/mm; 1000 Hz) for 30 s. Interestingly, well‐oriented CNMs in a solvent can also orient in polymer dispersions that are soluble in such a solvent. This extension of the orientation of CNMs from solvents to polymer dispersion systems provides a novel idea for preparing high‐performance composites.
Fabrication of Cholesterol‐Imprinted Microspheres‐Based Metal‐Chelating Monomer for Cholesterol Recognition from Serum
Authors: Kachenton Supicha , Anuwongcharoen Nuttapat , Piacham Theeraphon 
Published: February 2024

AbstractCholesterol is an essential lipid molecule associated with various physiological and pathological processes in the human body. Elevated cholesterol levels are correlated with several diseases, such as atherosclerosis, making cholesterol a critical biomarker for health monitoring. Molecular imprinting technology was selected to fabricate cholesterol imprinted microsphere (CHOL‐IP). This approach creates tailor‐made binding sites within polymer matrices for capturing cholesterol. However, the limited functional group in steroid derivative pose a challenge for the imprinting strategy. In this study, we successfully synthesized CHOL‐IP using a metal chelating monomer, N,N′‐vinylbenzyl iminodiacetic acid (VBIDA), in conjunction with copper (II) ions. The metal coordination approach facilitated strong binding forces, resulting in improved stability and specificity of the molecularly imprinted polymer (MIP). The synthesized CHOL‐IP was tested with pooled human serum samples containing cholesterol, HDL, and LDL. The CHOL‐IP exhibited significantly higher binding efficiency towards these compounds compared to the control polymer (CP). The application of a metal‐chelating functional monomer in the synthesized CHOL‐IP revealed the potential for enhancing its strong binding property toward cholesterol. This suggests that CHOL‐IP could be employed in the development of a cholesterol‐imprinted biosensor, providing an alternative tool for cholesterol analysis in medical detection applications.
Cleavage of the Disulfide Bonds via Hydrogenolysis for Recovering Iso‐octyl Thioglycolate from Distillation Residue in Iso‐octyl Thioglycolate Production
Authors: Liu Yuqi , Han Yongke , Wang Jinghua , Cui Hongyou 
Published: February 2024

AbstractAbout 10–15 wt% of distillation residue, which is mainly composed of the oxidation products of iso‐octyl thioglycolate, harmful to the environment and difficult to dispose, is generated during refining through distillation. Herein we report an effective approach to recover iso‐octyl thioglycolate from the distillation residue by hydrogenolysis of the disulphide bonds. The effects of reaction temperature, reaction time, and feeding speed were examined. It is found that the rate of hydrogen formation is a key factor affecting the yield of iso‐octyl thioglycolate. The orthogonal test shows that the influence order is: reaction time > mass ratio of distillation residue/HCl > the molar ratio of HCl/Zn > reaction temperature. About 63.64 % iso‐octyl thioglycolate could be harvested after hydrogenolysis at 30 °C for 3.0 h. The mechanism study shows that iso‐octyl thioglycolate was regenerated by cleavage the disulfide bonds in iso‐octyl thioglycolate disulfides. Therefore, an alternative way for resource utilization of iso‐octyl thioglycolate distillation residue was developed.
Green Synthesis and Biological Activities of Zinc Oxide Nanoparticles using Ampelocissus martini Rhizome Extract
Authors: Vittaya Luksamee , Chalad Chakhriya , Sirimahachai Uraiwan 
Published: February 2024

AbstractZinc oxide nanoparticles (ZnO NPs) were prepared by co‐precipitation of zinc acetate with Ampelocissus martini rhizome extract (AM). Four conformations of ZnO NPs were obtained by conjoined precipitation of sodium hydroxide, zinc acetate dihydrate, and AM: ZnO NPs‐01, ZnO NPs‐02, ZnO NPs‐03, and ZnO NPs‐04. The structure of ZnO NPs was confirmed by X‐Ray diffraction (XRD). Fourier transform infrared (FTIR) analysis was conducted to identify functional groups. The formation and morphology of the synthesized ZnO NPs were confirmed by field emission scanning electron microscopy (FE‐SEM) with Energy dispersive X‐ray spectroscopy (EDS) mapping, and transmission electron microscopy (TEM). Free radical scavenging activity was determined by 2,2‐diphenyl‐1‐picryl‐hydazyl‐hydrate (DPPH) and 2,2/‐azino‐bis‐(3‐ethylbenzothi‐azoline‐6‐sulfonic acid (ABTS) assays. Antibacterial activity was examined by disc diffusion analysis together with minimal inhibitory concentration (MIC) and minimal bactericidal concentration (MBC). ZnO NPs‐04 showed the highest inhibition in DPPH and ABTS assays and was active against E. coli and S. aureus with MICs=10 mg/mL and 5 mg/mL, respectively. These findings indicated that synthesized NPs could be utilized for several medicinal applications.
Synthesis and Characterization of Some Novel 18‐Membered‐Ring Tri‐Aza Macrocyclic Diamides Containing Appended Coumarin and their Derived Podands
Authors: Hosseini Hamideh , Shockravi Abbas 
Published: February 2024

AbstractIn this research, some new eighteen‐membered‐ring nitrogen‐pivot lariat ethers were synthesized from a tri‐aza macrocyclic diamide containing dibenzosulfide and a coumarin fragment as the sidearm. The aza‐macrocyclic compound used in the synthesis of lariat ethers was obtained from the reaction of dibenzosulfide diester and diethylenetriamine. The corresponding 3‐amidocoumarins were synthesized from the reaction of 3‐aminocoumarins and chloroacetyl chloride in good yields. Moreover, symmetrical bis coumarin podands were prepared by reacting a sulfide or sulfoxide monomer with 3‐amidocoumarin. The structures of the products were identified by IR, 1H NMR, 13C NMR, and mass spectroscopies.
Design and Development of Stable Nanocrystalline High‐Entropy Alloy: Coupling Self‐Stabilization and Solute Grain Boundary Segregation Effects
Authors: Adaan‐Nyiak Moses A. , Alam Intekhab , Jossou Ericmoore , Hwang Sooyeon , Kisslinger Kim , Gill Simerjeet K. , Tiamiyu Ahmed A. 
Published: February 2024

AbstractGrain growth is prevalent in nanocrystalline (NC) materials at low homologous temperatures. Solute element addition is used to offset excess energy that drives coarsening at grain boundaries (GBs), albeit mostly for simple binary alloys. This thermodynamic approach is considered complicated in multi‐component alloy systems due to complex pairwise interactions among alloying elements. Guided by empirical and GB‐segregation enthalpy considerations for binary‐alloy systems, a novel alloy design strategy, the “pseudo‐binary thermodynamic” approach, for stabilizing NC‐high entropy alloys (HEAs) and other multi‐component‐alloy variants is proposed. Using Al25Co25Cr25Fe25 as a model‐HEA to validate this approach, Zr, Sc, and Hf, are identified as the preferred solutes that would segregate to HEA‐GBs to stabilize it against growth. Using Zr, NC‐Al25Co25Cr25Fe25 HEAs with minor additions of Zr are synthesized, followed by annealing up to 1123 K. Using advanced characterization techniques— in situ X‐ray diffraction (XRD), scanning/transmission electron microscopy (S/TEM), and atom probe tomography, nanograin stability due to coupling self‐stabilization and solute‐GB segregation effects is reported in HEAs up to substantially high temperatures. The self‐stabilization effect originates from the preferential GB‐segregation of constituent HEA‐elements that stabilizes NC‐Al25Co25Cr25Fe25 up to 0.5Tm (Tm–melting temperature). Meanwhile, solute‐GB segregation originates from Zr segregation to NC‐Al25Co25Cr25Fe25 GBs; this results in further stabilization of the phase and grain‐size (≈14 nm) up to ≈0.58 and ≈0.64Tm, respectively.
Effective Reduction of CO2 with Aromatic Amines into N‐Formamides Triggered by Noble‐Free Metal–Organic Framework Catalysts Under Mild Conditions
Authors: Kang Xiaomin , Wang Zhiqiang , Shi Xinlei , Jiang Xiaolei , Liu Zhiliang , Zhao Bin 
Published: February 2024

AbstractThe reductive transformation of carbon dioxide (CO2) into high‐valued N‑formamides matches well with the atom economy and the sustainable development intention. Nevertheless, developing a noble‐free metal catalyst under mild reaction conditions is desirable and challenging. Herein, a caged metal–organic framework (MOFs) [H2N(CH3)2]2{[Ni3(µ3‐O)(XN)(BDC)3]·6DMF}n (1) (XN = 6″‐(pyridin‐4‐yl)‐4,2″:4″,4″′‐terpyridine), H2BDC = terephthalic acid) is harvested, presenting high thermal and chemical stabilities. Catalytic investigation reveals that 1 as a renewable noble‐free MOFs catalyst can catalyze the CO2 reduction conversion with aromatic amines tolerated by broad functional groups at least ten times, resulting in various formamides in excellent yields and selectivity under the mildest reaction system (room temperature and 1 bar CO2). Density functional theory (DFT) theoretical studies disclose the applicable reaction path, in which the CO2 hydrosilylation process is initiated by the [Ni3] cluster interaction with CO2 via η2‐C, O coordination mode. This work may open up an avenue to seek high‐efficiency noble‐free catalysts in CO2 chemical reduction into high value‐added chemicals.
Welding of S1100 Ultra high‐Strength Steel Plates with Matching Metal‐Cored Filler Wire: Microstructure, Residual Stresses, and Mechanical Properties
Authors: Tümer Mustafa , Pixner Florian , Vallant Rudolf , Warchomicka Fernando Gustavo , Domitner Josef , Enzinger Norbert 
Published: February 2024

This study investigates the relationship between the microstructure and the mechanical properties and the residual stresses of thermomechanically rolled, butt‐welded S1100MC ultra high‐strength steel plates. Matching metal‐cored filler wires are used for metal active gas welding of the plates in horizontal and vertical‐up positions. The effect of the heat input on the microstructures of both the weld metal (WM) and the heat‐affected zone (HAZ) is studied in detail. The microstructure of the WM consists of different types of ferrite, but the microstructure of the HAZ predominantly consists of fresh martensite at the top and bottom areas. Structure and size of the prior austenite grain boundaries are dependent on the welding positions and affect the impact toughness of the welds. HAZ of the weld produced in vertical‐up position is under intensive tensile residual stresses next to the fusion line. Even with matching filler wires, the strength of the welds is insufficient, and fracture of the weld metal occurs because the extended cooling time leads to the formation of acicular ferrite instead of martensite.
The study of anti‐rabies virus effect of Shougong powder
Authors: Zhang Minmin , Fan Yun , Wang Xueliang , Wang Jinghua , Chen Rong , Pan Husheng , Xiao Yanqun , Wang Heyao , Huang Weigang , Wang Hualiang 
Published: February 2024

AbstractRabies is a lethal infectious disease caused by rabies virus (RABV). The mortality rate is very high after the appearance of clinical symptoms, with a survival rate of almost 0%. There is presently no cure for rabies. In the present study, we investigated whether the extract of Shougong powder—a calcium powder prepared from gecko that has demonstrated immunomodulatory properties in mice—is an effective treatment for rabies. The antiviral effects of the extract were evaluated both in vitro and in vivo with the cytotoxicity and antiviral assays and by immunofluorescence analysis, quantitative real‐time (qRT)‐PCR, and western blotting. The results showed that Shougong powder and its extract increased survival rate in RABV‐infected mice is up to 60% and 50%, respectively, even in 20 times of LD50, whereas the control groups treated with isoprinosine (IPS) or saline are only 20% and 0% survival (p = .011). qRT‐PCR and western blotting analyses showed that the extract strongly inhibited viral mRNA expression and protein synthesis in vitro: expression of the N, P, M, G, and L genes of RABV was decreased by 28.8%–45.0% in the IPS group (p < .05) and by 50.1%–59.0% in the extract group (p < .05) relative to the control group. These results demonstrate that Shougong powder has certain antiviral effects against RABV and can potentially be used for the treatment for rabies.
Use of subcostal and lateral transverse abdominal plane blocks as part of multimodal analgesia in a calf undergoing omphalitis surgical correction
Authors: Martin Bellido Valeria , Levionnois Olivier , Plüss Jeanette , Monticelli Paolo 
Published: February 2024

AbstractThis report describes the combined use of the ultrasound‐guided subcostal and lateral transversus abdominis blocks as part of the multimodal analgesia in a 3‐month‐old calf, presented for omphalitis surgical repair. It was premedicated with xylazine, anaesthesia was induced with ketamine and maintained by isoflurane in oxygen. The block was performed with lidocaine 2%, and flunixin meglumine was administered pre‐ and postoperatively. Postoperative pain was scored, and rescue analgesia was not required intra‐ and postoperatively. Pain assessment and multimodal analgesia are crucial in food‐producing animals. Employing bilateral ultrasound‐guided lateral and subcostal transversus abdominis plane block can prove advantageous as part of the multimodal analgesia protocol for calves undergoing umbilical surgeries. Furthermore, it is essential to delv into the discussion of lidocaine's toxic dosage when applied in locoregional techniques.
Reactivity of [ReOCl3(PPh3)2] Towards Substituted Anilines
Authors: Cvetković Olivera , Theiner Johannes , Wolff Mariusz J. , Hultzsch Kai C. 
Published: February 2024

AbstractThe reactivity of [ReOCl3(PPh3)2] towards o‐toluidine, m‐toluidine, o‐fluoroaniline, m‐fluoroaniline, p‐bromoaniline, p‐chloroaniline and p‐anisidine was examined and novel rhenium(V) imido complexes [Re(NC6H4R)Cl3(PPh3)2] (R=o‐Me, m‐Me, o‐F, m‐F, p‐Cl, p‐Br, p‐OMe) were obtained. The resulting products were characterized by elemental analysis, electrospray ionization high‐resolution mass spectrometry (ESI‐HRMS), 1H, 13C{1H}, 19F and 31P{1H} NMR, FT‐IR spectroscopy, and X‐ray crystallography. For m‐toluidine, m‐fluroaniline and p‐chloroaniline, the rhenium(V) imido‐amino mononuclear [Re(NC6H4R)Cl3(H2NC6H4R)(PPh3)] (R=m‐F, p‐Cl) complexes and the binuclear [{Re(m‐NC6H4Me)Cl2(m‐H2NC6H4Me)(PPh3)}2O] complex were isolated as side products and characterized by X‐ray crystallography. All six‐coordinate rhenium(V) complexes display distorted octahedral coordination geometry.
On convergence of a three‐layer semi‐discrete scheme for the non‐linear dynamic string equation of Kirchhoff‐type with time‐dependent coefficients
Authors: Rogava Jemal , Vashakidze Zurab 
Published: February 2024

AbstractThis paper considers the Cauchy problem for the non‐linear dynamic string equation of Kirchhoff‐type with time‐varying coefficients. The objective of this work is to develop a time‐domain discretization algorithm capable of approximating a solution to this initial‐boundary value problem. To this end, a symmetric three‐layer semi‐discrete scheme is employed with respect to the temporal variable, wherein the value of a non‐linear term is evaluated at the middle node point. This approach enables the numerical solutions per temporal step to be obtained by inverting the linear operators, yielding a system of second‐order linear ordinary differential equations. Local convergence of the proposed scheme is established, and it achieves quadratic convergence regarding the step size of the discretization of time on the local temporal interval. We have conducted several numerical experiments using the proposed algorithm for various test problems to validate its performance. It can be said that the obtained numerical results are in accordance with the theoretical findings.
Investigation on the thermo‐piezo‐flexoelectric energy harvesting performance of self‐powered microbeam devices considering strain gradient and dual‐phase‐lag effects
Authors: Gu Bingdong , He Ailing , He Tianhu , Ma Yongbin 
Published: February 2024

AbstractAchieving renewable power for self‐powered electronic devices such as micro/nano‐electro‐mechanical systems is attractive in the fields of energy resources and environment, in this regard, dielectric material structures with excellent energy storage and electromechanical responses have stimulated a surge of research interest. However, in the micro/nanoscale filed, the existing thermo‐electromechanical continuum theories are not capable of fully and effectively characterizing the arising effects, for example, size‐dependent effect and heat lagging effect, etc. To further develop the existing theories, a theoretical prototype for piezo‐flexoelectricity by incorporating strain gradient effect and dual‐phase‐lag heat conduction model is proposed for the first time in this study, and then this proposed model is applied to investigating the energy harvesting performances of a piezo‐flexoelectric micro‐beam under piezoelectric‐thermoelastic coupling. In terms of the differential form of two‐phase elasticity and Hamilton's principle, the governing equations and the boundary conditions for the transverse vibration of a micro‐beam based on the Euler–Bernoulli beam model are derived. By means of the assumed mode method, the influences of the flexoelectricity, the load resistance and the strain gradient on voltage and output power are examined. From the obtained results, it can be aware of that this study not only presents the piezoelectric‐thermoelastic coupling effect of piezo‐flexoelectric configuration in microscale field, but also presents that a piezo‐flexoelectric system at microscale can generate higher power than that reported in previous works. It is hoped that this study could provide some guidelines in designing and optimizing dielectric energy harvesters of micro/nano electronic devices.