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Keywords = Taylor dispersion analysis

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6 pages, 857 KB  
Reply
Reply to Guidolin et al. Comment on “Somnin et al. Study of Interactions Between Gadolinium-Based Contrast Agents and Collagen by Taylor Dispersion Analysis and Frontal Analysis Continuous Capillary Electrophoresis. Pharmaceuticals 2024, 17, 1633”
by Chutintorn Somnin, Joseph Chamieh, Laurent Leclercq, Christelle Medina, Olivier Rousseaux and Hervé Cottet
Pharmaceuticals 2025, 18(9), 1284; https://doi.org/10.3390/ph18091284 - 28 Aug 2025
Viewed by 156
Abstract
We understand your surprise regarding our data showing a GBCA retention on Amicon® filters [...] Full article
(This article belongs to the Section Pharmaceutical Technology)
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4 pages, 184 KB  
Comment
Comment on Somnin et al. Study of Interactions Between Gadolinium-Based Contrast Agents and Collagen by Taylor Dispersion Analysis and Frontal Analysis Continuous Capillary Electrophoresis. Pharmaceuticals 2024, 17, 1633
by Nicol Guidolin, Federico Maisano, Fabio Tedoldi and Zsolt Baranyai
Pharmaceuticals 2025, 18(8), 1233; https://doi.org/10.3390/ph18081233 - 21 Aug 2025
Viewed by 246
Abstract
With great interest, we read the recent paper published in Pharmaceuticals, titled “Study of Interactions Between Gadolinium-Based Contrast Agents and Collagen by Taylor Dispersion Analysis and Frontal Analysis Continuous Capillary Electrophoresis” [...] Full article
(This article belongs to the Section Pharmaceutical Technology)
20 pages, 3854 KB  
Article
EHD Instability Modes of Power-Law Fluid Jet Issuing in Gaseous Streaming via Permeable Media
by Mohamed F. El-Sayed, Mohamed F. E. Amer and Doaa M. Mostafa
Fluids 2025, 10(5), 110; https://doi.org/10.3390/fluids10050110 - 25 Apr 2025
Viewed by 517
Abstract
The instability of a non-Newtonian dielectric fluid jet of power-law (P-L) type injected when streaming dielectric gas through porous media is examined using electrohydrodynamic (EHD) linear analysis. The interfacial boundary conditions (BCs) are used to derive the dispersion relation for both shear-thinning (s-thin) [...] Read more.
The instability of a non-Newtonian dielectric fluid jet of power-law (P-L) type injected when streaming dielectric gas through porous media is examined using electrohydrodynamic (EHD) linear analysis. The interfacial boundary conditions (BCs) are used to derive the dispersion relation for both shear-thinning (s-thin) and shear-thickening (s-thick) fluids. A detailed discussion is outlined on the impact of dimensionless flow parameters. The findings show that jet breakup can be categorized into two instability modes: Rayleigh (RM) and Taylor (TM), respectively. For both fluids, the system in TM is found to be more unstable than that found in RM, and, for s-thick fluids, it is more unstable. For all P-L index values, the system is more unstable if a porous material exists than when it does not. It is demonstrated that the generalized Reynolds number (Ren), Reynolds number (Re), P-L index, dielectric constants, gas-to-liquid density, and viscosity ratios have destabilizing influences; moreover, the Weber number (We), electric field (EF), porosity, and permeability of the porous medium have a stabilizing impact. Depending on whether its value is less or more than one, the velocity ratio plays two different roles in stability, and the breakup length and size of P-L fluids are connected to the maximal growth level and the instability range in both modes. Full article
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18 pages, 1351 KB  
Article
Seasonal and Spatial Distribution of Fall Armyworm Larvae in Maize Fields: Implications for Integrated Pest Management
by Karimou Zanzana, Antonio Sinzogan, Ghislain T. Tepa-Yotto, Elie Dannon, Georg Goergen and Manuele Tamò
Insects 2025, 16(2), 145; https://doi.org/10.3390/insects16020145 - 1 Feb 2025
Viewed by 895
Abstract
The fall armyworm (FAW), Spodoptera frugiperda, a major pest in maize production, was assessed for its temporal and spatial distribution in maize fields during both the dry and rainy seasons of 2021 and 2022 in two agroecological regions in Benin (zone 6 [...] Read more.
The fall armyworm (FAW), Spodoptera frugiperda, a major pest in maize production, was assessed for its temporal and spatial distribution in maize fields during both the dry and rainy seasons of 2021 and 2022 in two agroecological regions in Benin (zone 6 and 8). Zone 6 (AEZ 6) “called zone of terre de barre” (Southern and Central Benin) consisted of ferralitic soils, a Sudano-Guinean climate (two rainy seasons alternating with two dry seasons) with a rainfall ranging between 800 and 1400 mm of rainfall per year; while zone 8 (AEZ 8) called “fisheries region” (Southern Benin” is characterized by coastal gleysols and arenosols with a Sudano-Guinean climate and a rainfall of 900–1400 mm of rainfall per year. In this study, 30 and 50 maize plants were randomly sampled using a “W” pattern during the dry and rainy seasons, respectively. Larval density, larval infestation rates, and damage severity were monitored over time. Taylor’s power law and the mean crowding aggregation index were applied to evaluate the dispersion patterns of the larvae. The results indicate a higher larval infestation rate and larval density in AEZ 8 compared to AEZ 6 during the dry season. In the rainy season, while the percentage of damaged plants was higher in AZE 8, no significant differences in larval density between the two zones were observed. The dispersion analysis revealed moderate aggregation (aggregation index = 1.25) with a basic colony of 2.08 larvae, i.e., an average initial cluster of 2.08 larvae observed per plant, reflecting the aggregation oviposition behavior of FAW. This study provides valuable monitoring data on the FAW’s distribution, offering insights for further research on population dynamics and developing predictive models for integrated pest management strategies. Full article
(This article belongs to the Section Insect Pest and Vector Management)
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14 pages, 3347 KB  
Article
Study of Interactions Between Gadolinium-Based Contrast Agents and Collagen by Taylor Dispersion Analysis and Frontal Analysis Continuous Capillary Electrophoresis
by Chutintorn Somnin, Joseph Chamieh, Laurent Leclercq, Christelle Medina, Olivier Rousseaux and Hervé Cottet
Pharmaceuticals 2024, 17(12), 1633; https://doi.org/10.3390/ph17121633 - 5 Dec 2024
Cited by 4 | Viewed by 1440
Abstract
Background: Gadolinium-based contrast agents (GBCA) are widely used in magnetic resonance imaging (MRI) to enhance image contrast by interacting with water molecules, thus improving diagnostic capabilities. However, understanding the residual accumulation of GBCA in tissues after administration remains an area of active research. [...] Read more.
Background: Gadolinium-based contrast agents (GBCA) are widely used in magnetic resonance imaging (MRI) to enhance image contrast by interacting with water molecules, thus improving diagnostic capabilities. However, understanding the residual accumulation of GBCA in tissues after administration remains an area of active research. This highlights the need for advanced analytical techniques capable of investigating interactions between GBCAs and biopolymers, such as type I collagen, which are abundant in the body. Objective: This study explores the interactions of neutral and charged GBCAs with type I collagen under physiological pH conditions (pH 7.4) using Taylor dispersion analysis (TDA) and frontal analysis continuous capillary electrophoresis (FACCE). Methods: Collagen from bovine achilles tendon was ground using a vibratory ball mill to achieve a more uniform particle size and increased surface area. Laser granulometry was employed to characterize the size distributions of both raw and ground collagen suspensions in water. TDA was used to assess the hydrodynamic radius (Rh) of the soluble collagen fraction present in the supernatant. Results: From the TDA and FACCE results, it was shown that there were no significant interactions between the tested GBCAs and either the ground collagen or its soluble fraction at pH 7.4. Interestingly, we also observed that collagen interacts with filtration membranes, indicating that careful selection of membrane material, or the absence of filtration in the experimental protocol, is essential in interaction studies involving collagen. Conclusion: These findings bring valuable insights into the behavior of GBCAs in biological systems with potential implications for clinical applications. Full article
(This article belongs to the Section Pharmaceutical Technology)
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16 pages, 6018 KB  
Article
Time-Dependent Evolution of Al–Al4C3 Composite Microstructure and Hardness during the Sintering Process
by Audel Santos Beltrán, Verónica Gallegos Orozco, Miriam Santos Beltrán, Hansel Medrano Prieto, Ivanovich Estrada Guel, Carmen Gallegos Orozco and Roberto Martínez Sánchez
Materials 2024, 17(19), 4818; https://doi.org/10.3390/ma17194818 - 30 Sep 2024
Viewed by 1050
Abstract
In this study, Al-Al4C3 compounds were manufactured by mechanical milling followed by heat treatment. To analyze the microstructural evolution, the composites were sintered at 550 °C at different sintering times of 2, 4 and 6 h. The mechanical results suggest [...] Read more.
In this study, Al-Al4C3 compounds were manufactured by mechanical milling followed by heat treatment. To analyze the microstructural evolution, the composites were sintered at 550 °C at different sintering times of 2, 4 and 6 h. The mechanical results suggest that dislocation density and crystallite size primarily contribute to hardening before the sintering process, with a minimal contribution from particle dispersion in this condition. The compound exhibited a significant 75% increase in hardness after 2 h of sintering, primarily attributed to the nucleation and growth of Al4C3 nanorods. The HRTEM analysis, combined with geometric phase analysis (GPA) at and near the Al-Al4C3 interface of the nanorods, revealed strain field distributions primarily associated with partial screw dislocations and the presence of closely spaced dislocation dipoles. These findings are consistent with the microstructural parameters determined from X-ray diffraction pattern analysis using the convolutional multiple whole profile (CMWP) method. This analysis showed that the predominant dislocation character is primarily of the screw type, with the dislocation dipoles being closely correlated. Based on these results, it is suggested that samples with a lower weight percentage of reinforcement and longer sintering times may experience reduced brittleness in Al/Al4C3 composites. Strengthening contributions were calculated using the Langford–Cohen and Taylor equations. Full article
(This article belongs to the Section Metals and Alloys)
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23 pages, 3427 KB  
Article
Enhanced Antioxidant and Neuroprotective Properties of Pterostilbene (Resveratrol Derivative) in Amorphous Solid Dispersions
by Natalia Rosiak, Ewa Tykarska and Judyta Cielecka-Piontek
Int. J. Mol. Sci. 2024, 25(5), 2774; https://doi.org/10.3390/ijms25052774 - 28 Feb 2024
Cited by 11 | Viewed by 2816
Abstract
In this study, amorphous solid dispersions (ASDs) of pterostilbene (PTR) with polyvinylpyrrolidone polymers (PVP K30 and VA64) were prepared through milling, affirming the amorphous dispersion of PTR via X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC). Subsequent analysis of DSC thermograms, augmented [...] Read more.
In this study, amorphous solid dispersions (ASDs) of pterostilbene (PTR) with polyvinylpyrrolidone polymers (PVP K30 and VA64) were prepared through milling, affirming the amorphous dispersion of PTR via X-ray powder diffraction (XRPD) and differential scanning calorimetry (DSC). Subsequent analysis of DSC thermograms, augmented using mathematical equations such as the Gordon–Taylor and Couchman–Karasz equations, facilitated the determination of predicted values for glass transition (Tg), PTR’s miscibility with PVP, and the strength of PTR’s interaction with the polymers. Fourier-transform infrared (FTIR) analysis validated interactions maintaining PTR’s amorphous state and identified involved functional groups, namely, the 4′–OH and/or –CH groups of PTR and the C=O group of PVP. The study culminated in evaluating the impact of amorphization on water solubility, the release profile in pH 6.8, and in vitro permeability (PAMPA-GIT and BBB methods). In addition, it was determined how improving water solubility affects the increase in antioxidant (ABTS, DPPH, CUPRAC, and FRAP assays) and neuroprotective (inhibition of cholinesterases: AChE and BChE) properties. The apparent solubility of the pure PTR was ~4.0 µg·mL−1 and showed no activity in the considered assays. For obtained ASDs (PTR-PVP30/PTR-PVPVA64, respectively) improvements in apparent solubility (410.8 and 383.2 µg·mL−1), release profile, permeability, antioxidant properties (ABTS: IC50 = 52.37/52.99 μg·mL−1, DPPH: IC50 = 163.43/173.96 μg·mL−1, CUPRAC: IC0.5 = 122.27/129.59 μg·mL−1, FRAP: IC0.5 = 95.69/98.57 μg·mL−1), and neuroprotective effects (AChE: 39.1%/36.2%, BChE: 76.9%/73.2%) were confirmed. Full article
(This article belongs to the Special Issue Resveratrol: Improving Human Health and Preventing Diseases)
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24 pages, 7735 KB  
Article
Molecular Determinants of Fibrillation in a Viral Amyloidogenic Domain from Combined Biochemical and Biophysical Studies
by Juliet F. Nilsson, Hakima Baroudi, Frank Gondelaud, Giulia Pesce, Christophe Bignon, Denis Ptchelkine, Joseph Chamieh, Hervé Cottet, Andrey V. Kajava and Sonia Longhi
Int. J. Mol. Sci. 2023, 24(1), 399; https://doi.org/10.3390/ijms24010399 - 26 Dec 2022
Cited by 10 | Viewed by 2554
Abstract
The Nipah and Hendra viruses (NiV and HeV) are biosafety level 4 human pathogens classified within the Henipavirus genus of the Paramyxoviridae family. In both NiV and HeV, the gene encoding the Phosphoprotein (P protein), an essential polymerase cofactor, also encodes the V [...] Read more.
The Nipah and Hendra viruses (NiV and HeV) are biosafety level 4 human pathogens classified within the Henipavirus genus of the Paramyxoviridae family. In both NiV and HeV, the gene encoding the Phosphoprotein (P protein), an essential polymerase cofactor, also encodes the V and W proteins. These three proteins, which share an intrinsically disordered N-terminal domain (NTD) and have unique C-terminal domains (CTD), are all known to counteract the host innate immune response, with V and W acting by either counteracting or inhibiting Interferon (IFN) signaling. Recently, the ability of a short region within the shared NTD (i.e., PNT3) to form amyloid-like structures was reported. Here, we evaluated the relevance of each of three contiguous tyrosine residues located in a previously identified amyloidogenic motif (EYYY) within HeV PNT3 to the fibrillation process. Our results indicate that removal of a single tyrosine in this motif significantly decreases the ability to form fibrils independently of position, mainly affecting the elongation phase. In addition, we show that the C-terminal half of PNT3 has an inhibitory effect on fibril formation that may act as a molecular shield and could thus be a key domain in the regulation of PNT3 fibrillation. Finally, the kinetics of fibril formation for the two PNT3 variants with the highest and the lowest fibrillation propensity were studied by Taylor Dispersion Analysis (TDA). The results herein presented shed light onto the molecular mechanisms involved in fibril formation. Full article
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20 pages, 8172 KB  
Article
Amorphous Solid Dispersion of Hesperidin with Polymer Excipients for Enhanced Apparent Solubility as a More Effective Approach to the Treatment of Civilization Diseases
by Natalia Rosiak, Kamil Wdowiak, Ewa Tykarska and Judyta Cielecka-Piontek
Int. J. Mol. Sci. 2022, 23(23), 15198; https://doi.org/10.3390/ijms232315198 - 2 Dec 2022
Cited by 27 | Viewed by 3876
Abstract
The present study reports amorphous solid dispersions (ASDs) of hesperidin (Hes) prepared by ball milling to improve its solubility and apparent solubility over the unmodified compound. The carriers were Soluplus® (Sol), alginate sodium (SA), and hydroxypropylmethylcellulose (HPMC). XRPD analysis confirmed full amorphization [...] Read more.
The present study reports amorphous solid dispersions (ASDs) of hesperidin (Hes) prepared by ball milling to improve its solubility and apparent solubility over the unmodified compound. The carriers were Soluplus® (Sol), alginate sodium (SA), and hydroxypropylmethylcellulose (HPMC). XRPD analysis confirmed full amorphization of all binary systems in 1:5 w/w ratio. One glass transition (Tg) observed in DSC thermograms of hesperidin:Soluplus® (Hes:Sol) and hesperidin:HPMC (Hes:HPMC) 1:5 w/w systems confirmed complete miscibility. The mathematical model (Gordon–Taylor equation) indicates that the obtained amorphous systems are characterized by weak interactions. The FT-IR results confirmed that hydrogen bonds are responsible for stabilizing the amorphous state of Hes. Stability studies indicate that the strength of these bonds is insufficient to maintain the amorphous state of Hes under stress conditions (25 °C and 60 °C 76.4% RH). HPLC analysis suggested that the absence of degradation products indicates safe hesperidin delivery systems. The solubility and apparent solubility were increased in all media (water, phosphate buffer pH 6.8 and HCl (0.1 N)) compared to the pure compound. Our study showed that all obtained ASDs are promising systems for Hes delivery, wherein Hes:Sol 1:5 w/w has the best solubility (about 300-fold in each media) and apparent solubility (about 70% in phosphate buffer pH 6.8 and 63% in HCl). Full article
(This article belongs to the Special Issue Role of Bioactive Phytochemicals in Metabolic Diseases)
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19 pages, 6174 KB  
Article
Comparative Analysis of Riser Base and Flowline Gas Injection on Vertical Gas-Liquid Two-Phase Flow
by Salem K. Brini Ahmed, Aliyu M. Aliyu, Yahaya D. Baba, Mukhtar Abdulkadir, Rahil Omar Abdulhadi, Liyun Lao and Hoi Yeung
Energies 2022, 15(19), 7446; https://doi.org/10.3390/en15197446 - 10 Oct 2022
Cited by 2 | Viewed by 2614
Abstract
Gas injection is a frequently used method for artificial lift and flow regime rectification in offshore production and transportation flowlines. The flow behaviour in such flowlines is complex and a better understanding of flow characteristics, such as flow patterns, void fraction/hold up distributions [...] Read more.
Gas injection is a frequently used method for artificial lift and flow regime rectification in offshore production and transportation flowlines. The flow behaviour in such flowlines is complex and a better understanding of flow characteristics, such as flow patterns, void fraction/hold up distributions and pressure gradient is always required for efficient and optimal design of downstream handling facilities. Injection method and location have been shown to strongly affect downstream fluid behaviour that can have important implications for pumping and downstream facility design, especially if the development length between pipeline and downstream facility is less than L/D = 50 as reported by many investigators. In this article, we provide the results of an experimental investigation into the effects of the gas injection position on the characteristics of the downstream upwards vertical gas flow using a vertical riser with an internal diameter of 52 mm and a length of 10.5 m. A horizontal 40-m-long section connected at the bottom provides options for riser base or horizontal flow line injection of gas. The flowline gas injection is performed 40 m upstream of the riser base. A 16 by 16 capacitance wire mesh sensor and a gamma densitometer were used to measure the gas-liquid phase cross-sectional distribution at the riser top. A detailed analysis of the flow characteristics is carried out based on the measurements. These include flow regimes, cross-sectional liquid holdup distributions and peaking patterns as well as analysis of the time series data. Our findings show that flow behaviours differences due to different gas injection locations were persisting after a development length of 180D in the riser. More specifically, core-peaking liquid holdup occurred at the lower gas injection rates through the flowline, while wall-peaking holdup profiles were established at the same flow conditions for riser base injection. Wall peaking was associated with dispersed bubbly flows and hence non-pulsating as against core-peaking was associated with Taylor bubbles and slug flows. Furthermore, it was found that the riser base injection generally produced lower holdups. It was noted that the circumferential injector used at the riser base promoted high void fraction and hence low liquid holdups. Due to the bubbly flow structure, the slip velocity is smaller than for larger cap bubbles and hence the void fraction is higher. The measurements and observations presented in the paper provides valuable knowledge on riser base/flowline gas introduction that can directly feed into the design of downstream facilities such as storage tanks, slug catchers and separators. Full article
(This article belongs to the Section A: Sustainable Energy)
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23 pages, 44891 KB  
Article
On the Wake Dynamics of an Oscillating Cylinder via Proper Orthogonal Decomposition
by Benet Eiximeno, Arnau Miró, Juan Carlos Cajas, Oriol Lehmkuhl and Ivette Rodriguez
Fluids 2022, 7(9), 292; https://doi.org/10.3390/fluids7090292 - 2 Sep 2022
Cited by 5 | Viewed by 3381
Abstract
The coherent structures and wake dynamics of a two-degree-of-freedom vibrating cylinder with a low mass ratio at Re=5300 are investigated by means of proper orthogonal decomposition (POD) of a numerical database generated using large-eddy simulations. Two different reduced velocities of [...] Read more.
The coherent structures and wake dynamics of a two-degree-of-freedom vibrating cylinder with a low mass ratio at Re=5300 are investigated by means of proper orthogonal decomposition (POD) of a numerical database generated using large-eddy simulations. Two different reduced velocities of U*=3.0 and U*=5.5, which correspond with the initial and super-upper branches, are considered. This is the first time that this kind of analysis is performed in this kind of system in order to understand the role of large coherent motions on the amplification of the forces. In both branches of response, almost 1000 non-correlated in-time velocity fields have been decomposed using the snapshot method. It is seen that a large number of modes is required to represent 95% of the turbulent kinetic energy of the flow, but the first two modes contain a large percentage of the energy as they represent the wake large-scale vortex tubes. The energy dispersion of the high-order modes is attributed to the cylinder movement in the inline and cross-stream directions. Substantially different POD modes have been found in the two branches. While the first six modes resemble those observed in the static cylinder or in the initial branch of a one-degree of freedom cylinder in the initial branch, the modes not only contain information about the wake vortexes in the super-upper branch but also about the formation of the 2T vortex pattern and the Taylor–Görtler structures. It is shown that the 2T vortex pattern is formed by the interplay between the Taylor–Görtler stream-wise vortical structures and the cylinder movement and is responsible for the increase in the lift force and larger elongation in the super-upper branch. Full article
(This article belongs to the Special Issue External Aerodynamics)
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8 pages, 980 KB  
Article
Quantification of Structural Integrity and Stability Using Nanograms of Protein by Flow-Induced Dispersion Analysis
by Morten E. Pedersen, Jesper Østergaard and Henrik Jensen
Molecules 2022, 27(8), 2506; https://doi.org/10.3390/molecules27082506 - 13 Apr 2022
Cited by 3 | Viewed by 3829
Abstract
In the development of therapeutic proteins, analytical assessment of structural stability and integrity constitutes an important activity, as protein stability and integrity influence drug efficacy, and ultimately patient safety. Existing analytical methodologies solely rely on relative changes in optical properties such as fluorescence [...] Read more.
In the development of therapeutic proteins, analytical assessment of structural stability and integrity constitutes an important activity, as protein stability and integrity influence drug efficacy, and ultimately patient safety. Existing analytical methodologies solely rely on relative changes in optical properties such as fluorescence or scattering upon thermal or chemical perturbation. Here, we present an absolute analytical method for assessing protein stability, structure, and unfolding utilizing Taylor dispersion analysis (TDA) and LED-UV fluorescence detection. The developed TDA method measures the change in size (hydrodynamic radius) and intrinsic fluorescence of a protein during in-line denaturation with guanidinium hydrochloride (GuHCl). The conformational stability of the therapeutic antibody adalimumab and human serum albumin were characterized as a function of pH. The simple workflow and low sample consumption (40 ng protein per data point) of the methodology make it ideal for assessing protein characteristics related to stability in early drug development or when having a scarce amount of sample available. Full article
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13 pages, 3246 KB  
Article
A Comparative Investigation of the Effect of Microstructure and Crystallographic Data on Stress-Oriented Hydrogen Induced Cracking Susceptibility of API 5L X70 Pipeline Steel
by Mohammad Ali Mohtadi-Bonab, Edwan Anderson Ariza-Echeverri and Mohammad Masoumi
Metals 2022, 12(3), 414; https://doi.org/10.3390/met12030414 - 26 Feb 2022
Cited by 7 | Viewed by 3070
Abstract
In this research, stress-oriented hydrogen induced cracking (SOHIC) test was carried out on a 50 mm thickness of a commercial API 5L X70 steel plate. The evolution of microscopic features such as phase, boundary, interface, grain, and crystallographic data was analyzed before and [...] Read more.
In this research, stress-oriented hydrogen induced cracking (SOHIC) test was carried out on a 50 mm thickness of a commercial API 5L X70 steel plate. The evolution of microscopic features such as phase, boundary, interface, grain, and crystallographic data was analyzed before and after SOHIC, in order to comprehend the effect of crystallographic orientation on SOHIC propagation. Chemical composition and previous thermomechanical processing even finish rolling temperature and cooling rate determine the ferrite matrix microstructure. A recrystallized ultrafine ferrite grain with about 3–5% degenerated pearlite dispersed in the microstructure was characterized, called as-received specimen. The average lattice strain and dislocation density was calculated first using multiple Gaussian peak-fitting method from XRD pattern. Electrochemically charged combination mixed H2S-CO2 solution, constant hydrogen injection, and external loading were applied to tensile specimen, in order to simulate the H2S and CO2 environment. The results show that local misorientation and Taylor factor analyses predicted the possibility of hydrogen crack nucleation especially at boundaries and interfaces. Moreover, SOHIC crack propagation occurred along the mid-thickness of the cross section of steel plate along the ferritic boundaries, pearlitic colonies, and ferrite-cementite interfaces. Moreover, the crack propagated along distorted {110} and {001} grains, indicating a strong strain gradient towards the boundaries. The analysis of XRD patterns of SOHIC tested specimen by multiple Gaussian peak-fitting method estimated about 68% increment in micro-deformation and approximately 170% increase in dislocation density. Full article
(This article belongs to the Special Issue Hydrogen-Induced Cracking in Pipeline Steels)
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21 pages, 10092 KB  
Article
Impact of the Finite Element Mesh Structure on the Solution Accuracy of a Two-Dimensional Kinematic Wave Equation
by Dariusz Gąsiorowski
Water 2022, 14(3), 446; https://doi.org/10.3390/w14030446 - 1 Feb 2022
Cited by 1 | Viewed by 2672
Abstract
This paper presents the influence of the finite element mesh structure on the accuracy of the numerical solution of a two-dimensional linear kinematic wave equation. This equation was solved using a two-level scheme for time integration and a modified finite element method with [...] Read more.
This paper presents the influence of the finite element mesh structure on the accuracy of the numerical solution of a two-dimensional linear kinematic wave equation. This equation was solved using a two-level scheme for time integration and a modified finite element method with triangular elements for space discretization. The accuracy analysis of the applied scheme was performed using a modified equation method for three different uniform triangular meshes with the same resolution, but with a different structure. The modified equation approach based on the Taylor series truncation allowed the numerical diffusivity and dispersivity tensors to be derived, which are directly associated with numerical errors. The derived tensors depend on parameters such as the space and time interval, flow velocity, and weighting coefficients. A detailed analysis carried out for the particular values of these parameters enabled an assessment of the numerical errors that may be generated in the solution for the assumed mesh structure. The theoretical analysis was confirmed by using numerical simulations carried out for an arbitrary domain and auxiliary conditions. According to the obtained results, it appears that it is possible to improve the accuracy of the numerical solution by choosing the proper mesh structure and numerical parameters for the applied algorithm. Full article
(This article belongs to the Section Hydrology)
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11 pages, 5452 KB  
Article
Effect of Cobalt and Chromium Ions on the Chlorhexidine Digluconate as Seen by Intermolecular Diffusion
by Sónia I. G. Fangaia, Pedro M. G. Nicolau, Fernando A. D. R. A. Guerra, M. Melia Rodrigo, Gianluca Utzeri, Ana M. T. D. P. V. Cabral, Artur J. M. Valente, Miguel A. Esteso and Ana C. F. Ribeiro
Int. J. Mol. Sci. 2021, 22(24), 13266; https://doi.org/10.3390/ijms222413266 - 9 Dec 2021
Cited by 4 | Viewed by 2917
Abstract
Metal ions such as cobalt (II) and chromium (III) might be present in the oral cavity, as a consequence of the corrosion of Co-Cr dental alloys. The diffusion of such metal ions into the organism, carried by saliva, can cause health problems as [...] Read more.
Metal ions such as cobalt (II) and chromium (III) might be present in the oral cavity, as a consequence of the corrosion of Co-Cr dental alloys. The diffusion of such metal ions into the organism, carried by saliva, can cause health problems as a consequence of their toxicity, enhanced by a cumulative effect in the body. The effect of the chlorhexidine digluconate, which is commonly used in mouthwash formulations, on the transport of these salts is evaluated in this paper by using the Taylor dispersion technique, which will allow an assessment of how the presence of chlorhexidine digluconate (either in aqueous solution or in a commercial formulation) may affect the diffusion of metal ions. The ternary mutual diffusion coefficients of metal ions (Co and Cr) in the presence of chlorhexidine digluconate, in an artificial saliva media, were measured. Significant coupled diffusion of CoCl2 (and CrCl3) and chlorhexidine digluconate is observed by analysis of the non-zero values of the cross-diffusion coefficients, D12 and D21. The observed interactions between metal ions and chlorhexidine digluconate suggest that the latter might be considered as an advantageous therapeutic agent, once they contribute to the reduction of the concentration of those ions inside the mouth. Full article
(This article belongs to the Special Issue State-of-the-Art Macromolecules in Portugal)
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