Search Results (13)

The current research first investigates the flow in the fractional order of a vertical artery with atherosclerosis using a Casson-based penta-hybrid nanofluid. Gold (Au), copper (Cu), silver (Ag), magnesium oxide (MgO), and alumina (Al₂O₃) nanoparticles are dispersed in blood to make the hybrid nanofluid. It is assumed that the flow is very pulsatile. The mathematical model is constructed by using differential forms of the conservation laws of mass, momentum, energy, and irreversibility analysis. By applying the mild stenosis approximation, the governing equations are transformed into dimensionless form. To generalize the classical model to its fractional counterpart, the Caputo–Fabrizio fractional derivative (C-FFD) is employed. Closed-form solutions for the velocity and temperature fields are realized by the joint application of the Laplace and Hankel transforms. The impact of essential physical parameters on velocity, temperature, and entropy generation is displayed through figures. The physical significance of enhanced thermal characteristics is shown, emphasizing their potential relevance to thermal regulation, targeted drug delivery, and minimization of irreversible energy losses in biomedical flow systems. The velocity profile elevates with the increase in the Casson parameter, while the temperature drops as the fractional-order parameter rises. Entropy generation is observed to amplify with the increasing values of the thermodynamic parameter in question, whereas an opposite tendency is seen for the Bejan number. The Bejan number decreases as the control parameter becomes higher. The novelty of the present investigation lies in the simultaneous incorporation of Caputo–Fabrizio fractional dynamics, penta-hybrid nanoparticle suspension, and entropy generation analysis in a stenosed arterial configuration. Unlike existing fractional Casson blood flow models that primarily focus on single or hybrid nanofluids, the present framework highlights the synergistic enhancement of thermal transport and irreversibility control achieved through penta-hybrid nanoparticles, which may be relevant for advanced biomedical and targeted therapeutic applications. Full article

ZSM-5 zeolites with varying aluminum content were subjected to steam treatments of different severities by adjusting the temperature, duration, and water vapor pressure. The steamed samples were characterized using a range of analytical techniques. A quantitative assessment of the aluminum species—namely, tetrahedrally coordinated framework Al, dislodged framework Al, non-framework pentacoordinated Al, and non-framework hexacoordinated Al—was achieved through a combination of EDX analysis on Cs-exchanged materials and quantitative ²⁷Al MAS NMR spectroscopy, including spectral simulation. Contrary to previous reports, the catalytic activity per framework Al site in unsteamed ZSM-5 increases with aluminum content at low Si/Al ratios, aligning with recently proposed medium effects. Notably, at the point of maximum activity enhancement due to steaming, equivalent amounts (1:1) of framework and dislodged framework Al—both in tetrahedral coordination—are observed. The maximum enhancement factor per framework Al site, for a given material and reaction, remains independent of the specific steaming conditions (temperature, time, and pressure). However, the degree of activity enhancement varies with the type of reaction: it is more pronounced for n-hexane cracking (α-test) than for m-xylene isomerization. This suggests that both catalyst modification and reaction characteristics contribute to the observed steam-induced activity enhancement. A synergistic interaction between Brønsted and Lewis acid sites appears to underpin these effects. One plausible mechanism involves the strengthening of Brønsted acidity in the presence of adjacent Lewis acid sites. This enhancement is expected to be more significant for n-hexane cracking, which demands higher acid strength compared to m-xylene isomerization. In cases of n-hexane cracking, the increased acid strength and the formation of olefins via reactions on Lewis acid sites may act cooperatively. Importantly, the dislodged framework Al species—tetrahedrally coordinated in the hydrated catalyst at ambient temperature and functioning as Lewis acid sites in the dehydrated zeolite under reaction conditions—are directly responsible for the observed enhancement in acid activity. The transformation of framework Al into dislodged framework Al species is reversible, as demonstrated by hydrothermal treatment of the steamed samples at 150–200 °C. Nonetheless, reinsertion of Al into the framework is not fully quantitative: a portion of the dislodged framework Al is irreversibly converted into non-framework penta- and hexacoordinated species during the hydrothermal process. Among these, non-framework pentacoordinate Al species may serve as counterions to balance the lattice charges associated with framework Al. Full article

Smart cities are complex urban environments that rely on advanced technology and data analytics to enhance city services’ quality of life, sustainability, and efficiency. As these cities continue to evolve, there is a growing need for a structured framework to evaluate and integrate products that align with smart city objectives. This paper introduces the Pentagon Framework, a comprehensive evaluation method designed to ensure that products and their materials meet the specific needs of smart cities. The framework focuses on five key features—smart, sustainable, sensing, social, and safe—collectively called the Penta-S concept. These features provide a structured approach to categorizing and assessing products, ensuring alignment with the city’s goals for efficiency, sustainability, and user experience. The Smart City Pentagon Framework Analyzer is also presented, a dedicated web application that facilitates interaction with the framework. It allows product data input, provides feedback on alignment with the Penta-S features, and suggests personality traits based on the OCEAN model. Complementing the web application, the Smart City Penta-S Compliance Assistant API, developed through ChatGPT, offers a more profound, personalized evaluation of products, including the life cycle phase recommendations using the IPPMD model. This paper contributes to the development of smart city solutions by providing a flexible framework that can be applied to any product type, optimizing its life cycle, and ensuring compliance with the Pentagon Framework. This approach improves product integration and fosters user satisfaction by tailoring products and their materials to meet specific user preferences and needs within the smart city environment. The proposed framework emphasizes citizen-centric design and highlights its advantages over conventional evaluation methods, ultimately enhancing urban planning and smart city development. Full article

Materials with high carrier mobility, represented by graphene, have garnered significant interest. However, the zero band gap arising from linear dispersion cannot achieve an ideal on–off ratio in field-effect transistors (FETs), limiting practical applications in certain fields. In contrast, parabolic dispersion usually exhibits extremely high carrier mobility and an appropriate band gap. In this work, we predicted a planar pentagonal lattice composed entirely of pentagons (namely penta-MX₂ monolayer), where M = Ni, Pd and Pt, X = group V elements. Using first-principles calculations, we demonstrated a parabolic dispersion within this framework, which results in intriguing phenomena, such as a direct band gap (0.551–1.105 eV) and extraordinary high carrier mobility. For penta-MX₂ monolayer, the carrier mobility can attain ~1 × 10⁸ cm² V⁻¹ s⁻¹ (PBE), surpassing those of black phosphorene, graphene and 2D hexagonal materials. This monolayer also displays anisotropic mechanical properties and significant absorption peaks in the ultraviolet spectrum. Remarkably, 2D penta-MX₂ monolayers are promising for successful experimental exfoliation, particularly when X is a nitrogen element, opening up new possibilities for designing two-dimensional semiconductor materials characterized by high carrier mobility. Full article

This paper presents the parallelization of two widely used implicit numerical solvers for the solution of partial differential equations on structured meshes, namely, the ADI (Alternating-Direction Implicit) solver for tridiagonal linear systems and the SIP (Strongly Implicit Procedure) solver for the penta-diagonal systems. Both solvers were parallelized using CUDA (Computer Unified Device Architecture) Fortran on GPGPUs (General-Purpose Graphics Processing Units). The parallel ADI solver (P-ADI) is based on the Parallel Cyclic Reduction (PCR) algorithm, while the parallel SIP solver (P-SIP) uses the wave front method (WF) following a diagonal line calculation strategy. To map the solution schemes onto the hierarchical block-threads framework of the CUDA on the GPU, the P-ADI solver adopted two mapping methods, one block thread with iterations (OBM-it) and multi-block threads (MBMs), while the P-SIP solver also used two mappings, one conventional mapping using effective WF lines (WF-e) with matrix coefficients and solution variables defined on original computational mesh, and a newly proposed mapping using all WF mesh (WF-all), on which matrix coefficients and solution variables are defined. Both the P-ADI and the P-SIP have been integrated into a two-dimensional (2D) hydrodynamic model, the CCHE2D (Center of Computational Hydroscience and Engineering) model, developed by the National Center for Computational Hydroscience and Engineering at the University of Mississippi. This study for the first time compared these two parallel solvers and their efficiency using examples and applications in complex geometries, which can provide valuable guidance for future uses of these two parallel implicit solvers in computational fluids dynamics (CFD). Both parallel solvers demonstrated higher efficiency than their serial counterparts on the CPU (Central Processing Unit): 3.73~4.98 speedup ratio for flow simulations, and 2.166~3.648 speedup ratio for sediment transport simulations. In general, the P-ADI solver is faster than but not as stable as the P-SIP solver; and for the P-SIP solver, the newly developed mapping method WF-all significantly improved the conventional mapping method WF-e. Full article

Herein, we report the synthetic access to a set of π-extended BODIPYs featuring a penta-arylated (phenyl and/or thiophene) dipyrrin framework. We take advantage of the full chemoselective control of 8-methylthio-2,3,5,6-tetrabromoBODIPY when we conduct the Liebeskind–Srogl cross-coupling (LSCC) to functionalize exclusively the meso-position, followed by the tetra-Suzuki reaction to arylate the halogenated sites. All these laser dyes display absorption and emission bands in the red edge of the visible spectrum reaching the near-infrared with thiophene functionalization. The emission efficiency, both fluorescence and laser, of the polyphenylBODIPYs can be enhanced upon decoration of the peripheral phenyls with electron donor/acceptor groups at para positions. Alternatively, the polythiopheneBODIPYs show an astonishing laser performance despite the charge transfer character of the emitting state. Therefore, these BODIPYs are suitable as a palette of stable and bright laser sources covering the spectral region from 610 nm to 750 nm. Full article

The Personal Information Protection Law (PIPL) was launched on 1 November 2021 in China. This article provides a state-of-the-art review of PIPL through a policy analysis. This paper aims to compare the three main worldwide data privacy paradigms that exist at present: (i) the General Data Protection Regulation (GDPR) in the E.U., (ii) the California Consumer Privacy Act (CCPA) in the U.S., and (iii) PIPL in China. The research question is twofold: (i) how will PIPL affect the data privacy of Chinese citizens and consequently, (ii) how will PIPL influence the global digital order, particularly paralleling the existing GDPR and CCPA? In the first section, this article introduces the topic of data privacy as a global concern, followed in the second section by an in-depth policy context analysis of PIPL and a literature review on privacy that elucidates in particular the impact of the Social Credit System (SCS). In the third section, a comparative benchmarking is carried out between the GDPR, CCPA, and PIPL. Methodologically, policy documents around PIPL will be analyzed. In the fourth section, the case study of Shenzhen will be examined by undertaking a multi-stakeholder analysis following the Penta Helix framework. The article concludes by responding to the research questions, acknowledging limitations, and presenting future research avenues. Full article

During the controllable synthesis of two vanadium-containing Keggin-type polyoxoniobates (PONbs), [Ni(en)₂]₅[PNb₁₂O₄₀(VO)₅](OH)₅·18H₂O (1) and [Ni(en)₃]₅[PNb₁₂O₄₀(VO)₂]∙17H₂O (2, en = ethylenediamine) are realized by changing the vanadium source and hydrothermal temperature. Compounds 1 and 2 have been thoroughly characterized by single-crystal X-ray diffraction analysis, FT-IR spectra, X-ray photoelectron spectrum (XPS), powder X-ray diffraction (PXRD), etc. Compound 1 contains a penta-capped Keggin-type polyoxoniobate {PNb₁₂O₄₀(VO)₅}, which is connected by adjacent [Ni(en)₂]²⁺ units into a three-dimensional (3D) organic-inorganic framework, representing the first nickel complexes connected vanadoniobate-based 3D material. Compound 2 is a discrete di-capped Keggin-type polyoxoniobate {PNb₁₂O₄₀(VO)₂} with [Ni(en)₃]²⁺ units as counter cations. Compounds 1 and 2 have poor solubility in common solvents and can keep stable in the pH range of 4 to 14. Notably, both 1 and 2 as electrode materials are active for the selective oxidation of benzyl alcohol to benzaldehyde. Under ambient conditions without adding an alkaline additive, compound 1 as a noble metal free electrocatalyst can achieve 92% conversion of benzyl alcohol, giving a Faraday efficiency of 93%; comparatively, 2 converted 79% of the substrate with a Faraday efficiency of 84%. The control experiments indicate that both the alkaline polyoxoniobate cluster and the capped vanadium atoms play an important role during the electrocatalytic oxidation process. Full article

Steamed zeolites exhibit improved catalytic properties for hydrocarbon activation (alkane cracking and dehydrogenation). The nature of this practically important phenomenon has remained a mystery for the last six decades and was suggested to be related to the increased strength of zeolitic Bronsted acid sites after dealumination. We now utilize state-of-the-art infrared spectroscopy measurements and prove that during steaming, aluminum oxide clusters evolve (due to hydrolysis of Al out of framework positions with the following clustering) in the zeolitic micropores with properties very similar to (nano) facets of hydroxylated transition alumina surfaces. The Bronsted acidity of the zeolite does not increase and the total number of Bronsted acid sites decreases during steaming. O₅Al(VI)-OH surface sites of alumina clusters dehydroxylate at elevated temperatures to form penta-coordinate Al₁O₅ sites that are capable of initiating alkane cracking by breaking the first C-H bond very effectively with much lower barriers (at lower temperatures) than for protolytic C-H bond activation, with the following reaction steps catalyzed by nearby zeolitic Bronsted acid sites. This explains the underlying mechanism behind the improved alkane cracking and alkane dehydrogenation activity of steamed zeolites: heterolytic C-H bond breaking occurs on Al-O sites of aluminum oxide clusters confined in zeolitic pores. Our findings explain the origin of enhanced activity of steamed zeolites at the molecular level and provide the missing understanding of the nature of extra-framework Al species formed in steamed/dealuminated zeolites. Full article

Natural zeolite clinoptilolite CLIN with a framework ratio of Si/Al ≥ 4 containing mainly potassium and calcium ions in its internal channel system was used as a starting material. The acidic HCLIN catalysts were prepared under soft conditions avoiding the use of environmental less-benign mineral acids. The starting material was ion exchanged using a 0.2 M aqueous ammonium nitrate solution at a temperature 80 °C for 2 h. The obtained NH₄CLIN was converted into the acid HCLIN catalyst by calcination at 300–600 °C. The obtained samples were characterized by XRD, FTIR, SEM/TEM, AAS, and EDX element mapping. The state of aluminium and silicon was studied by ²⁷Al- and ²⁹SiMAS NMR spectroscopy. The textural properties of the catalysts were investigated by nitrogen adsorption and desorption measurements. The Brønsted acidity of the HCLIN catalysts was studied by temperature-programmed decomposition of the exchanged ammonium ions releasing ammonia as well as ¹H MAS NMR, {¹H–²⁷Al} Trapdor, and {¹H–²⁷Al} Redor experiments. The strongly agglomerated samples were crystalline and thermally stable up to >500 °C. Although a part of the clinoptilolite framework is maintained up to 600 °C, a loss of crystallinity is already observed starting from 450 °C. The specific surface areas of the starting CLIN and ammonium exchanged NH₄CLIN are low with ca. 26 m²/g. The pores are nearly blocked by the exchangeable cations located in the zeolite pores. The thermal decomposition of the ammonium ions by calcination at 400 °C causes an opening of the pore entrances and a markable increase in the specific micropore area and micropore volume to ca. 163 m²/g and 0.07 cm³/g, respectively. It decreases with further rising calcination temperature indicating some structural loss. The catalysts show a broad distribution of Brønsted acid sites (BS) ranging from weak to strong sites as indicated the thermal decomposition of exchanged ammonium ions (TPDA). The ammonium ion decomposition leaving BS, i.e., H⁺ located at Al–O–Si framework bridges, starts at ≥250 °C. A part of the Brønsted sites is lost after calcination specifically at 500 °C. It is related to the formation of penta-coordinated aluminium at the expense of tetrahedral framework aluminium. The Brønsted sites are partially recreated after repeated ammonium ion exchange. The catalytic performance of the acidic HCLIN catalysts was tested in the etherification of glycerol as a green renewable resource with different C₁-C₄ alcohols. The catalysts are highly active in the etherification of glycerol, especially with alcohols containing the branched, tertiary alkyl groups. Highest activity is observed with the soft activated catalyst HCLIN300 (300 °C, temperature holding time: 1 min). A total of 78% conversion of glycerol to mono and di ether were achieved with tert-butanol at 140 °C after 4 h of reaction. The mono- and di-ether selectivity were 75% and 25%, respectively. The catalyst can be reused. Full article

Tertiary tetraols of adamantane (C₁₀H₁₆, Tricyclo[3.3.1.1(3,7)]decan) have been widely used for the synthesis of highly symmetric compounds with unique physical and chemical properties. The methods for one-stage simultaneously selective, deep, and cheap oxidation of adamantane to tetraols of different structures have not yet been developed. In this research, chemically simple, cheap, and environmentally friendly reagents are used and that is the first step in this direction. The conditions, under which the impact of a hydrogen peroxide water solution on adamantane dissolved in acetonitrile results in full conversion of adamantane and formation of a total 72% mixture of its tri-, tetra-, and penta-oxygenated products, predominantly poliols, have been found. Conversion and adamantane oxidation depth are shown to depend on the ratio of components of the water-acetonitrile solution and the method of oxidizer solution introduction when using the dimer form of 1:1 dimethylglyoxime and copper dichloride complex as a catalyst. Under the conditions of mass-spectrometry ionization by electrons (70 eV), fragmentation across three C–C bonds of the molecular ions framework of adamantane tertiary alcohols Ad(OH)_n in the range n = 0–4 increases linearly with the rise of n. Full article

Sorption measurements of water vapor on an isoreticular series of Imidazolate Frameworks Potsdam (IFP), based on penta-coordinated metal centers with secondary building units (SBUs) connected by multidentate amido-imidate-imidazolate linkers, have been carried out at 303.15 K. The isotherm shapes were analyzed in order to gain insight into material properties and compared to sorption experiments with nitrogen at 77.4 K and carbon dioxide at 273.15 K. Results show that water vapor sorption measurements are strongly influenced by the pore size distribution while having a distinct hysteresis loop between the adsorption and desorption branch in common. Thus, IFP-4 and -8, which solely contain micropores, exhibit H4 (type I) isotherm shapes, while those of IFP-1, -2 and -5, which also contain mesopores, are of H3 (type IV) shape with three inflection points. The choice of the used linker substituents and transition metals employed in the framework has a tremendous effect on the material properties and functionality. The water uptake capacities of the examined IFPs are ranging 0.48 mmol g⁻¹ (IFP-4) to 6.99 mmol g⁻¹ (IFP-5) and comparable to those documented for ZIFs. The water vapor stability of IFPs is high, with the exception of IFP-8. Full article

The smart cities policy approach has been intensively implemented in European cities under the Horizon 2020 programme. However, these implementations not only reduce the interdependencies among stakeholders to technocratic Public-Private-Partnership (PPP) models, but also fail to question the identities of strategic stakeholders and how they prioritise their business/social models. These aspects are putting democracy at stake in smart cities. Therefore, this article aims to unfold and operationalise multistakeholders’ policy frameworks from the social innovation perspective by suggesting the ex-novo penta-helix framework—including public, private, academia, civic society, and social entrepreneurs/activists—to extend the triple and quadruple-helix frameworks. Based on fieldwork action research conducted from February 2017 to December 2018—triangulating desk research, 75 interviews, and three validation workshops—this article applies the penta-helix framework to map out five strategic dimensions related to (i) multistakeholder helix framework and (ii) the resulting business/social models comparatively in three follower cities of the H2020-Replicate project: Essen (Germany), Lausanne (Switzerland), and Nilüfer (Turkey). For each case study, the findings reveal: (i) a unique multistakeholder composition, (ii) diverse preferences on business/social models, (iii) a regular presence of the fifth helix as intermediaries, and (iv) the willingness to experiment with democratic arrangements beyond the hegemonic PPP. Full article