Fraction Profiles Research Articles

Antitrypanosomal activity of Crossopteryx febrifuga and phytochemical profiling using LC-MS/MS analysis coupled to molecular network and SIRIUS

Crossopteryx febrifuga (Rubiaceae) is a plant widely used in traditional African medicine to treat tryapnosomiasis. The aim of our study was to evaluate the antitrypanosomal activity of C. febrifuga extracts and to identify the compounds responsible for this activity. We prepared 4 extracts by successive maceration of plant leaf powder in n-hexane, dichloromethane, methanol and water. The antitrypanosomal activity of the extracts were assessed on Trypanosoma brucei brucei and their selectivity on Leishmania mexicana mexicana and human non cancer WI38 fibroblast cells. The dichloromethane extract, the most antitrypanosomal (IC50 of 9.3 ± 0.8 μg/mL) was fractionated on an Open Column Chromatography to give 14 fractions. Fractions 6–9 were the most active with an IC50 ranging from 1.3 to 2.1 μg/mL. All fractions were analyzed by UPLC-ZenoTOFHRMS, followed by manual dereplication of metabolites detected in the most active fractions. Manual dereplication was aided by the Molecular Network (MN) and SIRIUS. Metabolic profiling of fractions 6–9 has enabled us to identify 33 compounds, most of which were reported for the first time in C. febrifuga. These include buddlenol C (6), naringenin (7), maslinic acid (22), corosolic acid or isomer (24), asperphenamate (25), hydroxyoctadecenoic acid (29), sumaresinolic acid or isomer I and II (30 et 31), glycyrrhetinic acid (32) and oleanolic acid (36). The bioactivity-based approach identified maslinic (22), corosolic (24), and oleanolic (36) acids as linked to the antitrypanosomal activity. The data obtained support the traditional use of C. febrifuga in the traditional treatment of trypanosomiasis. Further studies are required to verify the activity observed in vivo.

Brownian dynamics simulation of the structural evolution in monodisperse hard-sphere suspensions during drying and sedimentation processes.

The drying behavior of monodisperse colloidal films, with a focus on the influence of process variables on film microstructures, is explored via Brownian dynamics (BD) simulations. In our model, hard-sphere colloidal particles are dispersed in a Newtonian liquid with an initial particle volume fraction of 0.1. The effects of the drying rate and sedimentation on the evolving microstructures are systematically investigated using two dimensionless numbers: the Péclet number (Pe), which represents the competition between evaporation and diffusion, and the sedimentation number (Ns), which reflects the relative influence of sedimentation on evaporation. First, we analyze the local particle volume fraction and film structure at various Pe and Ns. As Pe increases, particle accumulation occurs near the liquid-gas interface, whereas a high Ns promotes dense packing near the substrate owing to sedimentation. The BD simulation results, viz. the local volume fraction profiles and drying regime maps, are in good agreement with those of the continuum model proposed by Wang and Brady. Structural analysis of the dried films reveals that at a low Pe (Pe = 0.1), a face-centered cubic (FCC) structure dominates, primarily independent of the sedimentation effects. In contrast, a high Pe leads to hexagonal close-packed or amorphous structure formation. Notably, at intermediate drying rates (Pe = 10), an increase in Ns promotes additional FCC ordering in the final film structure. Our study provides new insights into the hitherto underexplored role of sedimentation in the structural evolution of drying colloidal films, revealing the mechanisms of drying-induced assembly in colloidal systems.

Metabolite Profiling of Potential Fraction from Ethyl Acetate Extract of Ziziphus mauritiana Leaves by LC-MS/MS Analysis

Metabolite Profiling of Potential Fraction from Ethyl Acetate Extract of Ziziphus mauritiana Leaves by LC-MS/MS Analysis

Integrative Proteomic and Phosphoproteomic Profiling Reveals the Salt-Responsive Mechanisms in Two Rice Varieties (Oryza Sativa subsp. Japonica and Indica).

Salinity stress induces ionic and osmotic imbalances in rice plants that in turn negatively affect the photosynthesis rate, resulting in growth retardation and yield penalty. Efforts have, therefore, been carried out to understand the mechanism of salt tolerance, however, the complexity of biological processes at proteome levels remains a major challenge. Here, we performed a comparative proteome and phosphoproteome profiling of microsome enriched fractions of salt-tolerant (cv. IR73; indica) and salt-susceptible (cv. Dongjin/DJ; japonica) rice varieties. This approach led to the identification of 5856 proteins, of which 473 and 484 proteins showed differential modulation between DJ and IR73 sample sets, respectively. The phosphoproteome analysis led to the identification of a total of 10,873 phosphopeptides of which 2929 and 3049 phosphopeptides showed significant differences in DJ and IR73 sample sets, respectively. The integration of proteome and phosphoproteome data showed activation of ABA and Ca2+ signaling components exclusively in the salt-tolerant variety IR73 in response to salinity stress. Taken together, our results highlight the changes at proteome and phosphoproteome levels and provide a mechanistic understanding of salinity stress tolerance in rice.

CFD Modeling of Film Condensation from a Steam-Air Mixture in Vertical Channels

Steam condensation in the presence of a noncondensable gas is of vital importance for passive cooling containment systems. The noncondensable gas causes a significant reduction in the condensation rate and heat transfer across the containment, which is important for postulated loss-of-coolant accidents in a nuclear reactor. In this work, computational fluid dynamics models of condensation and the adjacent single-phase steam-air mixture flow are developed for laminar and turbulent flow in vertical channels by two distinct wall condensation modeling approaches using the commercial code STAR-CCM+. The first is the fluid film model available in STAR-CCM+, which solves liquid layer governing equations with connections to the adjacent gas mixture flow. The second is a user-defined wall condensation model that neglects the fluid film and instead accounts for mass, momentum, and heat transfer via user-defined volumetric sink terms adjacent to the cold wall. The condensation models are assessed by first comparing the calculated results with the numerical solution of laminar flow, solved using a complete two-phase model that solves parabolic equations based on conservation of mass, momentum, energy, and species for each phase. Next, the results of a two-dimensional analysis are compared with COPAIN experiments and existing numerical solutions from three-dimensional analyses. The comparisons include new, detailed results that have not been reported in previous analyses of a COPAIN case. These new results include local field profiles of velocity, temperature, and air mass fraction, and local mass flux.

A novel 4-aminoquinoline chemotype with multistage antimalarial activity and lack of cross-resistance with PfCRT and PfMDR1 mutants

Artemisinin-based combination therapy (ACT) is the mainstay of effective treatment of Plasmodium falciparum malaria. However, the long-term utility of ACTs is imperiled by widespread partial artemisinin resistance in Southeast Asia and its recent emergence in parts of East Africa. This underscores the need to identify chemotypes with new modes of action (MoAs) to circumvent resistance to ACTs. In this study, we characterized the asexual blood stage antiplasmodial activity and resistance mechanisms of LDT-623, a 4-aminoquinoline (4-AQ). We also detected LDT-623 activity against multiple stages (liver schizonts, stage IV-V gametocytes, and ookinetes) of Plasmodium’s life cycle, a feature unlike other 4-AQs such as chloroquine (CQ) and piperaquine (PPQ). Using heme fractionation profiling and drug uptake studies in PfCRT-containing proteoliposomes, we observed inhibition of hemozoin formation and PfCRT-mediated transport, which constitute characteristic features of 4-AQs’ MoA. We also found minimal cross-resistance to LDT-623 in a panel of mutant pfcrt or pfmdr1 lines, but not the PfCRT F145I mutant that is highly resistant to PPQ resistance yet is very unfit. No P. falciparum parasites were recovered in an in vitro resistance selection study, suggesting a high barrier for resistance to emerge. Finally, a competitive growth assay comprising >50 barcoded parasite lines with mutated resistance mediators or major drug targets found no evidence of cross-resistance. Our findings support further exploration of this promising 4-AQ.

Mass and momentum balance during particle migration in the pressure-driven flow of frictional non-Brownian suspensions

The transient shear-induced particle migration of frictional non-Brownian suspensions is studied using particle-resolved simulations. The numerical method – the fictitious domain method – is well suited to heterogeneous flows thanks to a frame-invariant formulation of the subgrid (lubrication) corrections that does not involve the ambient flow (Orsi et al., J. Comput. Phys., vol. 474, 2023, 111823). The paper aims to give an accurate quantitative picture of the mass and momentum balance during the flow. The various assumptions and local constitutive laws that together form the suspension balance model (SBM) are thoroughly examined. To this purpose, the various quantities of interest are locally averaged in space and time, and their profile across the channel is extensively studied, with specific attention to the time evolution of the different contributions, either hydrodynamic in nature or from contact interactions, to the shear and normal stresses. The latter, together with the velocity gradient in the wall-normal direction and the volume fraction profile, yield the local constitutive laws, which are compared with their counterpart obtained in homogeneous shear flow. A fair agreement is observed except in a layering area at the boundaries and at the very centre of the channel. In addition, the main assumption of the SBM, i.e. the local relation between the hydrodynamic force on the particles and the particle flux, is meticulously investigated. The hydrodynamic force is found to be mainly a drag, except in the lower range of the probed volume fractions, where a non-drag contribution is observed.

Phytochemical profiling from Dioscorea bulbifera L. bulbils using LC-MS, proximate analysis and antidiabetic activity: in vitro and in silico approaches

ABSTRACT The nutritional value and medicinal properties of highly edible Bulbils of Dioscorea bulbifera L are still unexplored. This study reported the nutritional and medicinal values by In vitro, and In silico studies along with chemical profiling using LC-MS. The proximate analysis was conducted by the AOAC method. The antioxidant and antidiabetic activities were assessed using DPPH and α- α-glucosidase enzyme inhibition assay. Molecular docking was used to do an In silico examination of the identified molecules, and ADMET analysis of the hit candidate was also performed. The result showed that bulbils of D. bulbifera were found to have a higher percentage of protein (8.83%), fat (0.96%), and fiber (5.40%). It exhibited significant levels of phenolic and flavonoid content 106.93 ± 0.02 mg GAE/g and 11.51 ± 0.02 mg QE/g, respectively. The ethyl acetate fraction of D. bulbifera showed potent antioxidants with an IC 50 = 13.75 ± 0.6 μg/mL. Furthermore, the methanol extract showed more than 50 % inhibition activity with IC 50 values of 26.29 ± 0.6 μg/mL and 191.2 ± 0.7 μg/mL against α-glucosidase and α-amylase, respectively. The ethyl acetate fraction showed higher α-glucosidase and α-amylase inhibitory activity with an IC 50 of 14.42 ± 0.4 μg/mL and 171.5 ± 0.4 μg/mL, respectively, compared to the standard acarbose (p < 0.05). Chemical profiling of most bio-active ethyl acetate fraction was done using LC-MS analysis, where eleven compounds were annotated. In conclusion, bulbils of D. bulbifera demonstrate promising anti-diabetic activity through In vitro and In silico studies.

Shear-induced migration of rigid spheres in a Couette flow

Concentration inhomogeneities occur in many flows of non-Brownian suspensions. Their modeling necessitates the description of the relative motion of the particle phase and of the fluid phase, as well as the accounting for their interaction, which is the object of the suspension balance model (SBM). We systematically investigate the dynamics and the steady state of shear-induced migration in a wide-gap Couette flow for a wide range of particle volume fraction, and we test the ability of the SBM to account for the observations. We use a model suspension for which macroscopic particle stresses are known. Surprisingly, the observed magnitude of migration is much lower than that predicted by the SBM when the particle stress in the SBM is equated to the macroscopic particle stress. Another noteworthy observation is the quasi-absence of migration for semidilute suspensions. From the steady-state volume fraction profiles, we derive the local particle normal stress responsible for shear-induced migration according to the SBM. However, the observed dynamics of migration is much faster than that predicted by the SBM when using this stress in the model. More generally, we show that it is not possible to build a local friction law consistent with both the magnitude and the dynamics of migration within the standard SBM framework. This suggests that there is a missing term in the usual macroscopic constitutive law for the particle normal stress driving migration. The SBM is indeed capable of accurately predicting both the magnitude and the dynamics of migration when a tentative phenomenological term involving a concentration gradient is added to the particle normal stresses determined in macroscopic experiments.

Associations of age and sex with characteristics of extracellular vesicles and protein-enriched fractions of blood plasma.

Extracellular vesicles (EVs) are nanosized particles that are released by various cell types and play vital roles in intercellular communication. They carry biological molecules reflecting the physiological and pathological states of their source cells and tissues, showing potential as biomarkers. However, the impact of demographic factors like age and sex on the properties of blood plasma EVs remains underexplored. This study aims to fill this gap by evaluating how these factors influence the particle count and proteomic profiles of plasma EV preparations and corresponding protein fractions. Plasma samples from 120 healthy volunteers were collected and pooled into six groups: young males (age: 27.6 ± 4.0), young females (27.4 ± 3.8), middle-aged males (48.8 ± 3.8), middle-aged females (48.9 ± 3.9), old males (69.3 ± 3.9), and old females (69.4 ± 4.3). EV- and protein-enriched fractions were separated by size-exclusion chromatography (SEC). Fractions were characterized for particle number concentration and protein composition to identify characteristics affected by age and biological sex. Plasma EVs and corresponding protein fractions exhibited distinct characteristics, with differential enrichment of markers related to EVs and other blood components, including lipoproteins. Proteomic profiles of both EVs and protein fractions displayed sex- and age-dependent differences. Differentially abundant proteins displayed functions previously identified in the context of aging and sex differences, highlighting their utility as biomarkers. Age and sex significantly affect the characteristics of plasma EVs and proteins, potentially influencing their efficacy and interpretation as biomarkers in clinical applications. This study lays the groundwork for detailed mechanistic research to understand how EVs mediate age- and sex-related effects in health.

Influence of lipid and metabolite profiles of mitochondrial fraction on pH and color stability of longissimus lumborum muscle with different ultimate beef pH

This study aimed to explore the differences in the lipidome and mitochondrial fraction metabolome of Nellore cattle meat in different ranges of ultimate pH (pHu) normal (≤5.79), intermediate (5.80 to 6.19) and high (≥ 6.20) after 3- and 21-d postmortem. Instrumental color, myoglobin redox state, oxygen consumption, and metmyoglobin-reducing activity were measured during storage. A total of 472 lipids and 22 mitochondrial fraction metabolites were identified. Beef with high pHu showed positive regulation of ceramides involved in apoptosis and negative regulation of lipid classes related to membrane permeability and stability. In addition, lower carnitine content was noted in high-pHu beef than in normal-pHu beef. Acylcarnitines, phosphatidylinositol, and IMP showed upregulation in beef with intermediate pHu, indicating changes mainly related to energy, purine and pyruvate metabolism. Aging time impacted on the lipid content and metabolites involved in different metabolic pathways. These results provided new insights into beef's mitochondrial fraction lipid and metabolic profile with different pHu. In addition, beef with intermediate pHu differs from beef with high pHu due to changes in energy metabolism.

Investigating the oxidation characteristic of a hydro-processed bio-jet fuel: Experimental and modeling study

A rapid transition from conventional jet fuels to sustainable aviation fuels (SAFs) is imperative in order to reduce carbon emissions. Hydro-processed esters and fatty acids synthetic paraffinic kerosene (HEFA-SPK), as a type of SAF, exhibits broad applications. In this study, a new HEFA-SPK named ZH-HEFA was investigated. The fuel comprises 14% n-alkanes, 85% iso-alkanes and only 1% cycloalkanes by weight, with the majority of alkanes ranging from C9 to C17. Oxidation experiments of the fuel were conducted using an atmospheric pressure flow reactor at temperatures ranging from 550 K to 1075 K under three equivalence ratios (0.5, 1.0 and 1.5). Species mole fraction profiles were measured by an on-line gas chromatographic (GC). For comparison purposes, an experiment was also performed on RP-3, a conventional jet fuel commonly used in China, under the equivalence of 0.5. Compared to RP-3, ZH-HEFA exhibited significantly stronger low temperature reactivity and higher combustion conversion rates while demonstrating considerably lower yields of aromatics at high temperatures. The kinetic simulation of ZH-HEFA was achieved by proposing two surrogates and their corresponding kinetic models. Surrogate S-1 consisted solely of n-dodecane, while S-2 comprised 35% n-dodecane and 65% 2,6,10-trimethyl dodecane by weight. Both surrogate models were validated by the experimental data. S-1 exhibited a closer resemblance to the global oxidation characteristics of ZH-HEFA, whereas S-2 demonstrated improved accuracy in predicting the formation of small hydrocarbon intermediates during the fuel oxidation. Rate of production analysis revealed that the branched alkane component in S-2 possessed more pathways and greater capability than S-1 in generating C3 intermediates, which are important for the generation of aromatics. Furthermore, both models displayed good predictive performance for the auto-ignition properties of HEFA-SPK fuels.-

Photoprotective properties of four structure propolis from Heterotrigona itama stingless beehive: Fractionation, bioactivity analysis, and chemical profiling

Heterotrigona itama stingless bee propolis extract is known for its diverse bioactive compounds, making it a potential natural shield against UV radiation. This research assesses the photoprotective potential of crude ethanol extract from H. itama propolis collected from four structures (involucrum, pillar, pot, and entrance) of five bee hives (H1-H5), totalling 20 samples. Initially, the samples underwent testing for SPF value and UV absorption spectra. The crude ethanol extract (E) from the involucrum (H4) with the highest SPF value and broadest spectrum was selected for fractionation using hexane and water. Subsequently, the extract (E) and its hexane (H) and water (W) fractions were subjected to SPF analysis, UVA/UVB absorption assessment, determination of total phenolic and flavonoid content, free radical scavenging capacity, anti-collagenase effects, and cytotoxicity assessment. Additionally, LC-MS/MS analysis was performed to identify chemical constituents in the active fraction (W). The extract E demonstrated an SPF of 8.23 ± 0.09 and UV absorption. Notably, its fraction W exhibited the highest SPF (16.55 ± 0.24) at 100 μg/mL, surpassing the H fraction (SPF 5.7 ± 0.45). Phenolic content was highest in the H fraction (388.95 ± 4.54 mg/g GAE DW), followed by the W fraction (286.76 ± 6.48 mg/g GAE DW) and crude E (91.83 ± 4.12 mg/g GAE DW) from the involucrum. Regarding flavonoids, the fraction W led with 79.82 ± 6.21 mg/g QE DW, followed by the H fraction (45.56 ± 0.05 mg/g QE DW) and E (34.57 ± 1.11 mg/g QE DW). The extract E also exhibited modest DPPH scavenging (EC50 = 120 μg/mL), while the H fraction demonstrated stronger activity (EC50 = 4.37 μg/mL), and the W fraction displayed moderate effects (EC50 = 17.55 μg/mL). Notably, the W fraction showed remarkable anti-collagenase activity, outperforming the positive control, EG. HaCaT cell cytotoxicity revealed that the extract E was cytotoxic, whereas the H and W fractions showed no toxicity. LC-MS/MS analysis identified bioactive flavonoids (e.g., pratensein, quercetin) in the W fraction. These findings highlight the superior photoprotective properties of the water fraction from the involucrum of H. itama stingless bee propolis extract, suggesting its potential as a natural and effective ingredient for sunscreen and skincare formulations.

Two-phase flow evolution and interfacial area transport downstream of the mixing-vane spacer grid in rod bundle channels

This study investigated the axial two-phase flow evolution and interfacial area transport characteristics downstream of the mixing vane spacer grid (MVSG) in a tight lattice rod bundle channel with a subchannel hydraulic diameter of Dh = 17.27 mm. The experiment was conducted under the air-water two-phase flow at room temperature and atmospheric pressure. The phase distributions of 6 positions downstream of MVSG (Z/Dh = 9.15, 14.94, 20.73, 26.52, 32.31, and 61.26) were measured utilizing a self-developed double-layer wire-mesh sensor (WMS). 42 cases were obtained, involving the bubbly flow, cap-bubbly flow, and slug flow. Void fraction, bubble velocity, interfacial area concentration (IAC), and bubble size distribution (BSD) databases were built. Under the group-1 (G-1) flow, due to the swirling flow generated by MVSG, the G-1 bubbles were drawn from the bundle surface and the gap region into the subchannel center to form a spindle core-peak distribution. BSD results demonstrate that the swirling flow promotes bubbles’ coalescence. The one-dimensional (1-D) void fraction and IAC downstream of the MVSG decrease first and then recover, which contrasts with the non-mixing vane spacer grid (N-MVSG) effect. It was attributed to the increment of the bubbles’ velocity after MVSG due to the bubbles’ migration to the channel center and coalescence. Under the group-2 (G-2) flow, MVSG intensifies the core peak distribution of void fraction, and the void fraction profile is also spindle-shaped. The obvious bubbles’ break-up occurs at Z/Dh = 14.94 attributed to the swirling decay. The 1-D void fraction and IAC transport indicate, that with the liquid-velocity increment, the MVSG effect is different from the N-MVSG effect, which is mainly achieved by affecting the G-1 bubbles’ dynamic behaviors. The model evaluation utilizing the interfacial area transport equation (IATE) closing bubble interaction source/sink terms indicates that the advection effect dominates the IAC evolution and the contribution of the pressure effect is weak. The remarkable bubbles’ coalescence occurs under the high liquid velocity. In future studies, the additional bubble break-up and coalescence source/sink term model considering the MVSG effect should be developed based on these cases to improve the IATE prediction ability.

Void drift in narrow rectangular channels for highly advective bubbly flows: A macroscopic drift-flux model derived from two-fluid local simulations

This article addresses the issue of reduced models to describe turbulent two-phase flows in industrial applications. This work is an application based on Bois (2021) theoretical derivations to connect the spatially-averaged drift-flux model (DFM) to the local Reynolds-averaged two-fluid model (TFM). It presents new opportunities to calibrate closure laws or propose new models based on finer-scale descriptions. Highly convective steady bubbly flows with wall-peaking void fraction profiles are considered. Dispersed bubbles are weakly deformable. A new model dedicated to void fraction dispersion in flat rectangular channels is developed for application into the DFM. The model is calibrated based on reference local Euler-Euler two-fluid simulations of pressurised water and steam mono-dispersed bubbles, in adiabatic conditions. 64 conditions are considered to cover regularly the 3D parameter space in void fraction, Reynolds and Eötvös numbers. The new formulation proposed shows a very good fit with the post-processed predictions of local CFD simulations along with a substantial reduction in grid requirement. The model contains sub-filter correlations between vapour concentration and mixture or relative velocities. This model derived from local simulations is validated a posteriori in an industrial component scale code where the full space-filtered DFM is implemented and resolved. This work proves the benefits and feasibility of one-by-one model development and calibration based on two-fluid simulations.

Exploring multitarget potential of Piper nigrum fruit constituents for Alzheimer's disease: An AI-driven strategy

BackgroundAlzheimer's disease (AD) is a neurodegenerative disease that leads to development of cognition and memory dysfunctions. Currently, there is no known cure for AD, although limited medications are approved for the management of disease condition. Various plant-based leads give new hope for considering phytoconstituents as anti-AD drugs. The Piper nigrum L. fruit extract was reported to have anti-Alzheimer's activity. It creates an interest in the finding of active moieties that may be accountable for anti-AD activity. Hypothesis/PurposeIdentification of multitarget directed ligands isolated from Piper nigrum fruits through AI based studies. Study designThe phytochemical analysis of alkaloid fraction was carried out by LCMS, followed by the evaluation of constituents through in silico studies. MethodsThe fruits methanolic extract was prepared by cold maceration technique. The chemical profiling of the alkaloidal fraction was carried out using LCMS/MS analysis. The obtained compound's target hit genes were identified through network pharmacology studies using String, Metascape, and Cytoscape tools. Further, docking studies and MD simulations were carried out using AutoDock4 and Desmond-Maestro software. Then, electrochemical properties of hit compound P4 were determined using Gaussview6 software. ResultsFrom LCMS/MS analysis data, 29 compounds were considered based on compound intensity and accuracy (>95 %). Then, 41 common gene targets were identified from AD genes and compound-targeted genes. The 41 common genes in the PPI network suggested that AChE and BACE1 were the most abundant proteins. Further, docking studies revealed the hit compound P4 binding interaction and energies when compared to other 28 ligands. The molecular dynamics studies showed that P4-AChE and P4-BACE1 complexes were stable, and there were no RMSD and RMSF fluctuations were observed up to 100 ns. Further, PCA and MM-GBSA analysis data supported that complexes (P4-AChE and P4-BACE1) were stable. The DFT and surface properties indicated that compound P4 was ideal candidate for AD treatment and must be considered for further biological activity studies. ConclusionThe study identified compound P4 (dehydropipernonaline) from alkaloidal fraction of Piper nigrum fruits, suggesting it may be hit candidate for AD treatment.

Atmospheric Bubbling Fluidized Bed Risers: Effect of Cone Angle on Fluid Dynamics and Heat Transfer

Abstract In this paper, a comparative study of fluid flow behavior and thermal characteristics of sand particles has been carried out numerically and experimentally in bubbling fluidized beds for five-cone angles of the riser wall having 0 deg, 5 deg, 10 deg, 15 deg, and 20 deg. An Eulerian model with a k–ε turbulence model is used to explore the numerical analysis, and the findings are compared to those of the experiments. For the study, the inlet air velocity is fixed at 1.5 m/s with sand particles filled up to 30 cm to maintain bubbling conditions in the risers. The results indicate that increasing the cone angle up to 10 deg while maintaining the amount of bed materials constant leads to a reduction in pressure drop. The expansion of particles along the riser is observed to decrease with the increase in the cone angle up to 10 deg. The radial solid volume fraction profile transforms to a U shape from the W-type profile as the cone angle increases up to 10 deg. Correspondingly, the solid velocity is found to have an inverted U-type and W-shaped profile for the risers. The granular temperature is also found to increase with a decrease in the solid percentage at any location. The average bed temperature, interphase, and bed-to-wall heat transfer coefficient at a location of 10 cm axial height also increase with the cone angle increase up to 10 deg. As a result, the conical riser, when designed with a greater cone angle up to 10 deg, exhibits more efficiency in terms of heat transfer characteristics. The 3D simulation results are in strong concurrence with the experimental results in all investigations.

Comparative Performance Assessment between Incompressible and Compressible Solvers to Simulate a Cavitating Wake

To study the effects of fluid compressibility on the dynamics of a cavitating vortex street flow in a regime where the vortex shedding frequency increases as a result of the cavitation increase, the cavitating wake behind a wedge was simulated employing both incompressible and compressible solvers. To do this, a compressible cavitation model was implemented, modifying the Zwart-Gerber-Belamri (ZGB) incompressible solver and including a pressure limit and absorbing boundary conditions to prevent a non-physical pressure field. To validate the performance of the compressible model, preliminary simulations were carried out on a 1D Sod cavitating tube and the cavitating vortex shedding behind a circular body at laminar flow conditions. The results of the cavitating wake behind the wedge with the incompressible and the compressible solvers showed similar predictions in terms of pressure, vortex shedding frequency, and instantaneous and average vapor volume fraction profiles. In spite of this, differences were obtained in the energy content of the fluid force fluctuations on the body at higher frequencies, which appear to be better resolved and amplified when the compressibility model is considered. Overall, both solvers provided comparable results in terms of cavitation phenomena that are well aligned with experimental observations.

The fractional solitary wave profiles and dynamical insights with chaos analysis and sensitivity demonstration

This work investigates the dynamics of solitary waves in a thin-film ferroelectric material model, an essential component of optical systems. The study recognizes the limitations of the inverse scattering transform in solving the Cauchy problem for this conformable thin-film ferroelectric material model and applies a new Kudryashov approach and Bernoulli’s equation technique to ordinary differential equations. We apply these methods to the present model and obtain closed form analytical solutions. A variety of traveling wave and soliton solutions are constructed, including kink, bell, bright, and dark soliton solutions. It is acknowledged that the nonlinear evolution equation can be transformed into an ordinary differential equation by applying traveling wave transformations. Suitable physical parameters are chosen to create 2D, 3D, and contour plots that graphically depict the graphical dispersion of obtained fractional soliton solutions. The impact of the conformable fractional parameter is further demonstrated by the graphical representation of solitons propagation. Furthermore, the study develops the Hamiltonian function of the dynamical system to discuss the system’s total energy in terms of momentum and position. While a chaos analysis describes chaotic, quasi-periodic, and periodic behaviors, a sensitivity analysis demonstrates how responsive the model is to various initial conditions. Due to their dual-purpose nature as nonlinear ferroelectric and dielectric materials, thin ferroelectric films are widely used in modern electrical devices.

Meeting the challenge of varietal and geographical authentication of hazelnuts through lipid metabolite fingerprinting

Hazelnuts are high-quality products with significant economic importance in many European countries. Their market price depends on their qualitative characteristics, which are driven by cultivar and geographical origin, making hazelnuts susceptible to fraud. This study systematically compared two lipidomic fingerprinting strategies for the simultaneous authentication of hazelnut cultivar and provenance, based on the analysis of the unsaponifiable fraction (UF) and triacylglycerol (TAG) profiles by gas chromatography–mass spectrometry coupled with chemometrics. PLS-DA classification models were developed using a large sample set with high natural variability (n = 309) to discriminate hazelnuts by cultivar and origin. External validation results demonstrated the suitability of the UF fingerprint as a hazelnut authentication tool, both tested models showing a high efficiency (>94 %). The correct classification rate of the TAG fingerprinting method was lower (>80 %), but due to its faster analysis time, it is recommended as a complementary screening tool to UF fingerprinting.