bluuebunny/crossref_metadata_2025_split huggingface dataset:
Radial point interpolation‐Chebychev method with asymptotic numerical method for nonlinear buckling analysis of graphene oxide powder‐reinforced composite beams
Authors: Askour Omar , Rammane Mohammed , Mesmoudi Said , Hilali Youssef , Bourihane Oussama 
Published: March 2024

SummaryThis study aims to analyze the buckling and post‐buckling behaviors of multilayer nanocomposite beams reinforced with graphene oxide powders (GOPs) at low concentrations. The GOPs are randomly oriented and evenly distributed throughout the composite layers, with their weight fraction varying in the thickness direction. The Halpin‐Tsai model is employed to estimate each layer's effective material properties. The nonlinear governing equations for the FG‐GOPRC beam are derived based on the first‐order shear deformation beam theory, and a nonlinear algebraic system is formulated using the principle of potential energy. In this research, a comprehensive parametric analysis is conducted to examine the influence of various factors on the buckling and post‐buckling behaviors of the composite beams. These factors include the distribution pattern and weight fraction of graphene platelets (GPLs) nanofillers, as well as the geometry, size, slenderness ratio, and boundary conditions of the beams. Through the analysis, the study highlights the significant strengthening effect of these factors on the buckling and post‐buckling performance of the composite beams. The findings from this investigation contribute to a deeper understanding of the behavior of multilayer nanocomposite beams reinforced with GOPs. This knowledge can be valuable in designing and optimizing of composite structures for enhanced buckling resistance and post‐buckling performance.
Decontamination of methylene blue from aqueous media using alginate‐bonded polyacrylamide/carbon black nanocomposite hydrogel
Authors: Peighambardoust Seyed Jamaleddin , Karimzadeh Halimi Fateh , Mohammadzadeh Pakdel Parisa , Safarzadeh Hamid 
Published: March 2024

AbstractThis work synthesized the novel alginate (Alg) based nanocomposite hydrogel using the free radical polymerization method to remove methylene blue (MB) from the aqueous solution. The successful grafting of acrylamide (AAm) monomer onto the alginate backbone was confirmed by the FTIR test. Different carbon black (CB) nanoparticle levels (0–12.5 wt.%) were embedded in a hydrogel matrix to enhance the removal efficiency, and its optimum value was obtained at 7.5 wt.%. FTIR, TGA, BET, and SEM analyses were performed to characterize synthesized adsorbents. TGA results showed that Alg‐g‐poly(AAm)/CB nanocomposite hydrogel has a higher thermal stability than Alg‐g‐poly(AAm) hydrogel. SEM analysis showed that incorporating CB into Alg‐g‐poly(AAm) considerably enhances roughness and surface area. Also, a higher surface area of Alg‐g‐poly(AAm)/CB (2.5 m2/g) was confirmed by BET analysis. The removal efficiency of nanocomposite hydrogel at optimum conditions of pH 6, initial concentration 10 mg/L, temperature 25 °C, and contact time 60 min was calculated at 94.63%. The kinetic and isotherm data were best fitted to pseudo‐second‐order and Langmuir models. The monolayer adsorption capacity for Alg‐g‐poly(AAm) and Alg‐g‐poly(AAm)/CB were calculated at 22.77 and 24.56 mg/g, respectively, showing CB's effectiveness in improving MB adsorption. The thermodynamic study showed that the removal process of MB by both adsorbents is spontaneous and exothermic, and entropy decreases. The synthesized adsorbents showed a good performance in textile wastewater treatment. Finally, it can be concluded that the synthesized adsorbents can be successfully applied for wastewater treatment application.
Preparation of bio‐based soybean oil polyol modified 3630 polyol‐based rigid polyurethane foam and its improved thermal stability, flame retardant, and smoke suppression performances
Authors: Zhang Xu , Wang Zhaoqian , Sun Simiao , Wang Zhi , Xie Hua 
Published: March 2024

AbstractRigid polyurethane foam (RPUF) with 3630 polyol‐based components was modified using bio‐based soybean oil (SO) polyol. The effects of soybean oil polyol on the thermal stability, flame retardant and smoke suppression performances of the modified RPUFs were investigated by thermogravimetric analysis, integral programmed decomposition temperature (IPDT), pyrolysis kinetic analysis, limiting oxygen index, conical calorimetry and smoke toxicity analysis. The results indicated that the RPUF‐SO2 (10 wt% soybean oil polyol) had the highest thermal decomposition rate temperature, initial thermogravimetric temperature, termination temperature, residual rate, IPDT and activation energy. Under various circumstances, the total heat release (THR) of RPUF‐SO2 was 1.41, 1.61, and 2.51 MJ/m2, respectively, and the peak heat release rate (PHRR) was lowered by 22.40%, 45.68%, and 19.86% in comparison to the original RPUF‐0. In the meantime, RPUF‐SO2 had the best light transmittance (57.20 and 60.60%), the lowest toxic gas emissions (0.31, 0.44, and 0.38 kg/s), and the lowest Ds (32.46 and 29.07). It also had an excellent smoke suppression effect. According to the current study, RPUF‐SO2 performed better in terms of heat stability, flame retardancy and smoke suppression. This made it a good benchmark for further bio‐based soybean oil polyol modified RPUFs.
Enhanced proton conductivity of sulfonated poly(ether ether ketone) membranes by constructing cation‐π through doping ammonium ionic liquid and graphene oxide
Authors: Qu Shuguo , Song Jinxun , Lv Xueyan , Sun Lijun , Ding Luyang , Jin Guihua , Duan Jihai , Wang Weiwen 
Published: March 2024

AbstractIn this paper, sulfonic acid functionalized benzothiazole ionic liquid ([(CH2)3SO3HBth] [H2PO4]) and graphene oxide were combined together through the cation‐π. The sulfonated poly (ether ether ketone) was doped with ionic liquid‐modified GO (IL‐GO) to prepare the SPEEK/IL‐GO composite membrane through the solution casting method. The SO3H and benzothiazole rings act as both proton acceptors and proton donors during proton transport and can replace the role of water in medium‐ and high‐temperature environments, increasing the proton transport sites to a certain extent and increasing the proton conductivity of the SPEEK/IL‐GO composite membrane. The proton conductivity of the SPEEK/IL‐GO‐2 composite membrane achieved an 18.02 mS/cm at 120°C, which is 2.43 times higher than that of the pristine SPEEK membrane. This paper provided a method for increasing proton conductivity and limiting IL loss of the SPEEK membrane.Highlights
[(CH2)3SO3HBth][H2PO4] and graphene oxide were combined through cation‐π.
The benzothiazole ring and SO3H form acid–base pairs.
The proton conductivity of SPEEK/IL‐GO‐2 membrane achieved 18.02 mS/cm.
Using maximum likelihood estimation approach to adjust parameters of CARTE thermochemical code.
Authors: Dubois V. , Bidault X. , Sorin R. 
Published: March 2024

AbstractUsing thermochemical codes to predict the properties of detonation products and the parameters for detonation modeling of explosives requires the use of very precise theoretical equations of state (EoS). We share the updates to the thermochemical code CARTE, which allows the calculation of thermodynamic properties and chemical compositions of detonation products over a wide range of temperatures and densities. In this paper, we focus on the theoretical EoS of pure fluids, based on the KLRR perturbation method and EXP‐6 potentials. We propose a maximum likelihood approach to fit the EXP‐6 parameters by matching a combination of shock data and static compression data. We present the results obtained on the detonation properties on nitric oxide.
Insights into the anti‐Candida albicans properties of natural phytochemicals: An in vitro and in vivo investigation
Authors: Yue Daifan , Zheng Dongming , Bai Yuxin , Yang Linlan , Yong Jiangyan , Li Yan 
Published: March 2024

AbstractInvasive candidiasis, attributed to Candida albicans, has long been a formidable threat to human health. Despite the advent of effective therapeutics in recent decades, the mortality rate in affected patient populations remains discouraging. This is exacerbated by the emergence of multidrug resistance, significantly limiting the utility of conventional antifungals. Consequently, researchers are compelled to continuously explore novel solutions. Natural phytochemicals present a potential adjunct to the existing arsenal of agents. Previous studies have substantiated the efficacy of phytochemicals against C. albicans. Emerging evidence also underscores the promising application of phytochemicals in the realm of antifungal treatment. This review systematically delineates the inhibitory activity of phytochemicals, both in monotherapy and combination therapy, against C. albicans in both in vivo and in vitro settings. Moreover, it elucidates the mechanisms underpinning the antifungal properties, encompassing (i) cell wall and plasma membrane damage, (ii) inhibition of efflux pumps, (iii) induction of mitochondrial dysfunction, and (iv) inhibition of virulence factors. Subsequently, the review introduces the substantial potential of nanotechnology and photodynamic technology in enhancing the bioavailability of phytochemicals. Lastly, it discusses current limitations and outlines future research priorities, emphasizing the need for high‐quality research to comprehensively establish the clinical efficacy and safety of phytochemicals in treating fungal infections. This review aims to inspire further contemplation and recommendations for the effective integration of natural phytochemicals in the development of new medicines for patients afflicted with C. albicans.
An inverse causal relationship between serum 25‐hydroxyvitamin D levels and pulmonary hypertension: A two‐sample Mendelian randomization study
Authors: Chao Ce , Wang Min , Mei Kun , Ma Chao , Qian Yongxiang , Zhang Xiaoying 
Published: March 2024

AbstractObservational studies have confirmed that 25‐hydroxyvitamin D (25(OH)D) is associated with pulmonary hypertension (PH), but the causal association between each other is unclear. Therefore, Mendelian randomization (MR) method was performed to validate the causal association between PH and serum 25(OH)D levels. The summary data for 25(OH)D and PH were from the National Human Genome Research Institute‐European Bioinformatics Institute. Catalog of human genome‐wide association studies and FinnGen biobank consortium. MR analysis was utilized to explore the potential causal association between PH and 25(OH)D. To evaluate this association, inverse variance weighting was considered as the primary method. Cochran's Q test, MR‐Egger intercept test, and “leave‐one‐out” sensitivity analyses were utilized to control the pleiotropy and heterogeneity in the study. Two‐sample MR analysis revealed an inverse causal relationship between 25(OH)D and PH (odds ratio: 0.376, 95% confidence interval: 0.162–0.876, p = 2.334 × 10−2). There was no significant heterogeneity and pleiotropy. The present study confirmed the inverse causal relationship between 25(OH)D and PH. This pathway may provide another treatment pathway in PH. Further studies to elucidate this pathway is indicated.
Fire safety assessment for alternative cruise ship design based on BWM and DEMATEL by linguistic Z‐number
Authors: Li Jianing , Wang Gaoshuai , Guo Yong , Wu Siying , Chen Gang 
Published: March 2024

AbstractThis paper proposes a risk assessment method based on the best‐worst method (BWM) and decision‐making trial and evaluation laboratory (DEMATEL) to evaluate the fire safety level of alternative design schemes for cruise ships relative to the standard‐based options. Firstly, the analytic hierarchy model of fire safety assessment is constructed by analyzing the passive fire protection system, active fire protection system, and evacuation and escape capability of cruise ship large cabins. Then, the linguistic scale functions and Z‐numbers are used to deal with the fuzzy evaluation of fire safety factors by experts, and the maximizing consensus technique is adopted to determine the weight of each expert to enhance group consistency. Considering the influence degree of each factor on fire safety and the correlation between factors, the BWM is combined with DEMATEL to establish the risk source weight calculation model. The fire safety level of alternative cruise ship designs is further determined by the fuzzy comprehensive evaluation approach. Finally, to validate the effectiveness of the proposed method, a fire safety assessment is conducted on the alternative design scheme of a luxury cruise passenger restaurant. The results confirm that the proposed method can effectively evaluate the fire safety of alternative design compared to the standard‐based scheme.
Prolonged Bacteroides pyogenes infection in a patient with multiple lung abscesses
Authors: Lee Hyun Kyoung , Walls Genevieve , Anderson Graeme , Sullivan Cameron , Wong Conroy A. 
Published: March 2024

AbstractBacteroides pyogenes is naturally found in the oral microbiome of cats and dogs and hence exposure, especially bites from these animals, is a major risk factor for human infections. B pyogenes is known to cause infections that persist despite antibiotic treatment and can have serious clinical outcomes. We present a novel case of complex lung abscesses associated with B pyogenes infection. A 55 year old man presents with a 3‐month history of productive cough, night sweats, and 5 kg weight loss. An initial chest radiograph revealed mass‐like opacities in the right upper lobe (RUL), right middle lobe (RML), and left lower lobe (LLL). Over the next 4 years the patient underwent multiple investigations and antimicrobial treatments until resolution of the abscesses. We believe that metronidazole in combination with moxifloxacin was a key component in the clinical cure of this patient.
A polynomial‐time approximation scheme for the maximal overlap of two independent Erdős–Rényi graphs
Authors: Ding Jian , Du Hang , Gong Shuyang 
Published: March 2024

AbstractFor two independent Erdős–Rényi graphs , we study the maximal overlap (i.e., the number of common edges) of these two graphs over all possible vertex correspondence. We present a polynomial‐time algorithm which finds a vertex correspondence whose overlap approximates the maximal overlap up to a multiplicative factor that is arbitrarily close to 1. As a by‐product, we prove that the maximal overlap is asymptotically for with some constant .
Quality education in the field of sustainability using a statistical analysis
Authors: Maniatis Paraschos 
Published: March 2024

AbstractThis paper discusses the importance of quality education in the field of sustainability. The paper highlights four different types of education related to sustainability, including environmental sustainability education, social sustainability education, education for sustainable development (SE), and green skills education. The statistical information on these types of education is summarized and presented in a table format. The paper concludes by emphasizing the need for increased access to education in the field of sustainability to prevent environmental degradation and social problems and to prepare individuals for jobs that contribute to sustainable development.
Analysis of gender‐based violence in the context of the sustainable development goals
Authors: Guaita‐Fernández Pilar , Martín Martín José María , Ribeiro Navarrete Samuel , Puertas Rosa 
Published: March 2024

AbstractThrough the 2030 Agenda, international bodies have set out 17 highly interconnected Sustainable Development Goals (SDGs) to set course for the equitable and just development of society. SDG5 seeks to empower women and girls as a way of guaranteeing their fundamental rights, which are sometimes violated by the physical superiority of men who exercise their power by undermining women's freedoms. This study aims to analyse the connection between SDG1, SDG3, SDG8 and SDG11, and the protection of women, identifying the lines of action needed to favour access to justice for victims of gender‐based violence. The study was carried out on a panel sample of the 17 Spanish Autonomous Regions over a decade (2012–2021), using the generalised method of moments, specifically the xtabond2 estimator. Development was carried out in two stages: (1) the measures implemented by the Spanish authorities and the quality of life of the population were analysed, (2) six representative dimensions of quality of life associated with different targets of the SDGs were studied. Both scenarios were designed with the common objective of determining their impact on reporting to the police. The results show the need to reinforce protection orders, as well as to put in place the necessary measures to improve women's quality of life in order to attain a violence‐free society. Specifically, education, economic stability, mental and physical health, and work must be enhanced. In short, socio‐economic policies should be oriented towards the creation of a climate of security that favours access to justice for battered women.
Synthesis, vibrational analysis, absorption and emission spectral studies, topology and molecular docking studies on sulfadiazine derivative
Authors: Elangovan N. , Sowrirajan S. , Arumugam Natarajan , Almansour Abdulrahman I. , Altaf Mohammad , Mahalingam Sakkarapalayam M. 
Published: March 2024

AbstractA new class of (N‐(pyrimidin‐2‐yl)‐4‐((1,7,7‐trimethylbicyclo [2.2.1] heptan‐2‐ylidene) amino) benzenesulfonamide (CDA) was synthesized from commercially available camphor and sulfadiazine. The synthesized Schiff‐base was characterized by FT‐IR, 1H and 13C NMR spectroscopic analyses. The HOMO, LUMO, MEP, chemical reactivity parameters, and NBO were calculated using the WB97XD/cc‐pVDZ basis set. For better understanding, the electronic absorption and emission of the compound were recorded using UV‐Vis and fluorescence spectra. Molecular docking simulations were investigated between ligand (compound) and target protein. The computational results correlate well with observed values. The frontier molecular orbital energy gap (3.78 eV) revealed that the studied molecule has higher polarizability and chemical reactivity with lower kinetic stability. In addition, compound showed the highest binding score −5.72 kcal/mol, which was confirmed by a molecular docking simulation.
Visible‐Light Tempted Photocatalytic Activity of Newly Synthesized Co3O4NiOPdOPd Nanomaterial for Removal of Azo Dyes
Authors: Iram Sadia , Shahzad Ahmad Khuram , Shaheen Irum , Aljuwayid Ahmed M. , Azad Malik Mohammad 
Published: March 2024

AbstractTo contribute to the development of sustainable and effective nano‐catalyst for dye degradation is greatly enviable to solve the global environmental remediation problems. In this regard, here facile Co3O4NiOPdOPd nanomaterial was synthesized via phyto‐organic fuel and scrutinized as nanocatalyst to degrade methyl orange (MO). The Co3O4NiOPdOPd nanomaterial was synthesized following the sol gel synthesis methodology using foliar phyto extract of Abies pindrow Royle leaves. The synthesized nanomaterial of Co3O4NiOPdOPd was studied by X‐rays diffraction, Raman spectroscopy, Energy‐dispersive spectroscopy, as well as Field‐emission scanning electron microscopy. Fourier transform infrared spectroscopy, Gas chromatography and Mass spectrometry. The facile bio nanomaterial was studied for removal of MO both under sunlight and under dark. Fabricated nanocatalyst of mixed metal oxides (MMO) exhibited the degradation efficiency of 95 % in the presence of sunlight and 85 % without sunlight (in dark condition) in 15 minutes.The comparison of catalytic potential of MOD‐L and MOD‐D for Co3O4−NiO−PdO−Pd for 2 minutes exhibited maximum degradation percent MOD‐L (72.2.4 %) followed by MOD‐D (51.5 %). However, after 20 minutes MOD‐L exhibited higher percentage of 95.4 % while MOD‐D revealed 84.8 percent degraded MO. Consequently, the nano‐scale features have enhanced the catalytic performance of Co3O4NiOPdOPd photocatalyst towards water purification from organic pollutants.
Synthesis, Characterization,Computational Studies and Antimicrobial activity evaluation of Mixed ligand‐Metal complexes of selected thiosemicarbazones
Authors: Khan Tahmeena , Zehra Saima , Alvi Almas , Mishra Nidhi , Lawrence Rubina , Joshi Seema , Khan Abdul Rahman 
Published: March 2024

AbstractThe current work reports the synthesis of mixed ligand‐metal complexes of (2‐(2‐oxoacenaphthylen‐1 ylidene)hydrazinecarbothioamide) (L1) and carbamothioyl‐2‐chloronicotinohydrazonic acid (L2) and imidazole (im), triphenylphosphine (PPh3) and pyridine (py) ligands with Cu (II), Zn (II), Fe (II) and Co (II) salts.The chacterization was done through FT‐IR, NMR, UV‐visible, and elemental analysis. The X‐ray diffraction (XRD) patterns of [Cu(L1)(im)2(SO4)] demonstrated the crystalline morphology. In the FT‐IR spectra of the ligands, the characteristic frequencies corresponding to ν(C=N) (imine) and ν(C=S) (thiocarbonyl) were observed around 1650 and 1130 cm−1 respectively, which shifted upon complexation. In the 1H NMR spectra, the peak due to the NH proton was observed downfield, whereas that of ‐NH2 was observed comparatively upfield owing to its secondary amine nature. The molecular docking was performed against transforming growth beta (tgf‐β), protease of SARS‐CoV‐2 (Mpro) and aspartate kinase (Asp) kinase.The molecular simulation with the docked complex of [Zn(L2)(py)2(SO4)] and [Zn(L1)(PPh3)2(SO4)] with Asp kinase showed significant stability during the simulation time of 100 ns. The relative free energies of the simulated complexes were calculated with the molecular mechanics Poison‐Boltmann surface area (MM‐PBSA). The complexes were tested against ten bacterial strains and showed enhanced antibacterial activity than the ligands. [Cu(L1)(im)2(SO4)], [Zn(L1)(im)2(SO4)], [Fe(L1)(im)2(SO4)] and [Co(L1)(im)2(Cl2)] were found to be active against E.coli.
Enabling continuous deployment techniques for quantum services
Authors: Romero‐Álvarez Javier , Alvarado‐Valiente Jaime , Moguel Enrique , Garcia‐Alonso Jose , Murillo Juan M. 
Published: March 2024

AbstractEarly advances in quantum computing have provided new opportunities to tackle intricate problems in diverse areas such as cryptography, optimization, and simulation. However, current methodologies employed in quantum computing often require, among other things, a broad understanding of quantum hardware and low‐level programming languages, posing challenges to software developers in effectively creating and implementing quantum services. This study advocates the adoption of software engineering principles in quantum computing, thereby establishing a higher level of hardware abstraction that allows developers to focus on application development. With this proposal, developers can design and deploy quantum services with less effort, which is similar to the facilitation provided by service‐oriented computing for the development of conventional software services. This study introduces a continuous deployment strategy adapted to the development of quantum services that covers the creation and deployment of such services. For this purpose, an extension of the OpenAPI specification is proposed, which allows the generation of services that implement quantum algorithms. The proposal was validated through the creation of an application programming interface with diverse quantum algorithm implementations and evaluated through a survey of various developers and students who were introduced to the tool with positive results.