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Search Results (1,042)

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14 pages, 7877 KiB  
Article
Enhancing Mechanical and Antibacterial Performance of Tire Waste/Epoxidized Natural Rubber Blends Using Modified Zinc Oxide–Silica
by Napasorn Kingkohyao, Tanit Boonsiri, Jobish Johns, Raymond Lee Nip and Yeampon Nakaramontri
Polymers 2025, 17(1), 109; https://doi.org/10.3390/polym17010109 - 3 Jan 2025
Viewed by 294
Abstract
This study investigates the synergistic effects of incorporating modified zinc oxide–silica (ZnO-SiO2) into tire waste (TW) and epoxidized natural rubber (ENR) blends, with a focus on crosslinking dynamics, mechanical reinforcement, and antibacterial activity. The addition of ZnO-SiO2 significantly enhanced crosslink [...] Read more.
This study investigates the synergistic effects of incorporating modified zinc oxide–silica (ZnO-SiO2) into tire waste (TW) and epoxidized natural rubber (ENR) blends, with a focus on crosslinking dynamics, mechanical reinforcement, and antibacterial activity. The addition of ZnO-SiO2 significantly enhanced crosslink density, as evidenced by increased torque and accelerated cure rates. An optimal concentration of 10 phr was found to yield the highest performance. This optimal balance between chemical activation and mechanical reinforcement resulted in exceptional tensile properties, including notable improvements in Young’s modulus, tensile strength, and strain-induced crystallization (SIC). These enhancements were attributed to the strong interactions between ENR molecular chains and SiO2 surfaces. However, excessive ZnO-SiO2 concentrations caused filler agglomeration, which reduced both mechanical and antibacterial performances. An antibacterial analysis revealed a remarkable 99.9% bacterial reduction at 10 phr ZnO-SiO2, attributed to the Zn2+ ion release and reactive oxygen species (ROS) generation, with sustained activity even after thermal aging. This durability underscores the composites’ potential for long-term applications. The findings establish ZnO-SiO2 as a dual-functional filler that optimizes crosslinking, enhances mechanical properties, and provides durable antibacterial efficiency. These results highlight the potential of TW/ENR blends while offering critical insights into mitigating filler agglomeration to improve overall material performance. Full article
(This article belongs to the Special Issue Exploration and Innovation in Sustainable Rubber Performance)
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Graphical abstract

Graphical abstract
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<p>Cure characteristic curves of TW/ENR blend with different modified ZnO-SiO<sub>2</sub> loading. “Unfilled” refers to the TW:ENR ratio of 50:50 phr without ZnO-SiO<sub>2</sub>.</p>
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<p>Morphologies of the solely ZnO-SiO<sub>2</sub>, relative to the commercial ZnO.</p>
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<p>Stress–strain curves of TW/ENR filled with different concentrations of ZnO-SiO<sub>2</sub> to elucidate crosslinking behavior.</p>
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<p>Proposed interaction of ENR with SiO<sub>2</sub> in ZnO-SiO<sub>2,</sub> as well as the TW phases separation.</p>
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<p>Disk diffusion qualitative measurement of TW/ENR filled with different concentrations of ZnO-SiO<sub>2</sub> against <span class="html-italic">Gram-negative E. coli</span> and <span class="html-italic">Gram-positive S. aureus</span> was performed at 8 h (<b>A</b>,<b>B</b>) and 24 h (<b>C</b>,<b>D</b>).</p>
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<p>Antibacterial activities of the TW/ENR filled with different concentrations of ZnO-SiO<sub>2</sub> against <span class="html-italic">E. coli</span> and <span class="html-italic">S. aureus</span> within 8 h before and after aging at 70 °C for 72 h.</p>
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<p>OM and SEM images, along with EDX elemental analysis, of TW/ENR blends filled with different concentrations of ZnO-SiO<sub>2</sub> after aging for 72 h at 70 °C: blend without ZnO-SiO<sub>2</sub> (<b>A</b>), blends with ZnO-SiO<sub>2</sub> at concentrations of 10 phr (<b>B</b>), 15 phr (<b>C</b>), and 20 phr (<b>D</b>) together with atom percentage % within TW/ENR matrix.</p>
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28 pages, 1833 KiB  
Review
A Review on Metal–Organic Frameworks as Technological Excipients: Synthesis, Characterization, Toxicity, and Application in Drug Delivery Systems
by Pedrita A. Sampaio, Emanuella C. V. Pereira, Pedro G. S. Sá, José Marcos T. Alencar Filho, Leslie R. M. Ferraz, Rodolfo H. V. Nishimura, Aline S. Ferreira, Pedro J. Rolim Neto, Evando S. Araújo and Larissa A. Rolim
Compounds 2025, 5(1), 1; https://doi.org/10.3390/compounds5010001 - 2 Jan 2025
Viewed by 518
Abstract
Metal–organic frameworks (MOFs) are also known as porous coordination polymers. This kind of material is constructed with inorganic nodes (metal ions or clusters) with organic linkers and has emerged as a promising class of materials with several unique properties. Well-known applications of MOFs [...] Read more.
Metal–organic frameworks (MOFs) are also known as porous coordination polymers. This kind of material is constructed with inorganic nodes (metal ions or clusters) with organic linkers and has emerged as a promising class of materials with several unique properties. Well-known applications of MOFs include their use as gas storage and in separation, catalysis, carbon dioxide capture, sensing, slender film gadgets, photodynamic therapy, malignancy biomarkers, treatment, and biomedical imaging. Over the past 15 years, an increasing amount of research has been directed to MOFs due to their advanced applications in fuel cells, supercapacitors, catalytic conversions, and drug delivery systems. Various synthesis methods have been proposed to achieve MOFs with nanometric size and increased surface area, controlled surface topology, and chemical activity for industrial use. In this context, the pharmaceutical industry has been watching the accelerated development of these materials with great attention. Thus, the objective of this work is to study the synthesis, characterization, and toxicity of MOFs as potential technological excipients for the development of drug carriers. This work highlights the use of MOFs not only as delivery systems (DDSs) but also in advanced diagnostics and therapies, such as photodynamic therapy and targeted delivery to tumors. Bibliometric analyses showed a growing interest in the topic, emphasizing its contemporary relevance. Full article
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<p>Schematic representation of the three-dimensional arrangement of MOFs based on their composition.</p>
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<p>Typical solvothermal procedure for synthesizing ZIF-8, where rt = room temperature (adapted from [<a href="#B43-compounds-05-00001" class="html-bibr">43</a>]).</p>
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<p>Representative structure of the ZIF-8 (<a href="https://www.chemtube3d.com/" target="_blank">https://www.chemtube3d.com/</a> (accessed on 20 September 2024)).</p>
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<p>(<b>a</b>) An example of synthesis of the MIL-100(Fe) MOF under HF-free conditions (adapted from [<a href="#B39-compounds-05-00001" class="html-bibr">39</a>]); (<b>b</b>) a typical solvothermal procedure was used to synthesize UiO-66 (adapted from [<a href="#B56-compounds-05-00001" class="html-bibr">56</a>]).</p>
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<p>Number of publications per year (2009–2023) indexed in the Scopus database, related to descriptors “MOFs” and “drug delivery”. Source: Scopus.com.</p>
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<p>Representation of the increase in dissolution by system drug@MOF (red) compared to a drug delivery system without MOFs (authors’ archive).</p>
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15 pages, 3429 KiB  
Article
Classification of the Crystal Structures of Orthosilicate Cathode Materials for Li-Ion Batteries by Artificial Neural Networks
by Mookala Premasudha, Bhumi Reddy Srinivasulu Reddy, Kwon-Koo Cho, Ahn Hyo-Jun, Jae-Kyung Sung and Nagireddy Gari Subba Reddy
Batteries 2025, 11(1), 13; https://doi.org/10.3390/batteries11010013 - 31 Dec 2024
Viewed by 319
Abstract
The crystal structures of orthosilicate cathode materials play a critical role in determining the physical and chemical properties of Li-ion batteries. Accurate predictions of these crystal structures are essential for estimating key properties of cathode materials in battery applications. In this study, we [...] Read more.
The crystal structures of orthosilicate cathode materials play a critical role in determining the physical and chemical properties of Li-ion batteries. Accurate predictions of these crystal structures are essential for estimating key properties of cathode materials in battery applications. In this study, we utilized crystal structure data from density functional theory (DFT) calculations, sourced from the Materials Project, to predict monoclinic and orthorhombic crystal systems in orthosilicate-based cathode-based materials with Li–Si–(Fe, Mn, Co)–O compositions. An artificial neural network (ANN) model with a 6-22-22-22-1 architecture was trained on 85% of the data and tested on the remaining 15%, achieving an impressive accuracy of 97.3%. The model demonstrated strong predictive capability, with only seven misclassifications from 267 datasets, highlighting its robustness and reliability in predicting the crystal structure of orthosilicate cathodes. To enhance interpretability and model reliability, we employed the Index of Relative Importance (IRI) to identify critical features influencing predictions. Additionally, a user-friendly graphical user interface was also developed to facilitate rapid predictions, enabling researchers to explore structural configurations efficiently and accelerating advancements in battery materials research. Full article
(This article belongs to the Section Battery Modelling, Simulation, Management and Application)
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<p>Workflow for predicting crystal structures using machine learning and DFT data.</p>
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<p>Pair plot of lithium cathode properties for Si–(Mn, Fe, Co)–O systems extracted from the Materials Project database.</p>
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<p>The predicted accuracy of the ANN model (<b>a</b>) hidden neurons, (<b>b</b>) momentum term, (<b>c</b>) learning rate, and (<b>d</b>) iterations.</p>
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<p>Weight distribution comparison in ANN model before and after training.</p>
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<p>(<b>a</b>–<b>d</b>) Prediction of the class of crystal systems.</p>
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<p>Comparison of accuracies with published literature [<a href="#B3-batteries-11-00013" class="html-bibr">3</a>].</p>
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<p>The screenshots of ANN software for the prediction process of crystal structure.</p>
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<p>(<b>a</b>–<b>d</b>) The relative importance of variables in the monoclinic and orthorhombic predictions.</p>
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11 pages, 2311 KiB  
Article
Ion-Replacement Strategy in Preparing Bi-Based MOF and Its Derived Bi/C Composite for Efficient Sodium Storage
by Zhenpeng Zhu, Shuya Zhang, Kuan Shen, Fu Cao, Qinghong Kong and Junhao Zhang
Batteries 2025, 11(1), 2; https://doi.org/10.3390/batteries11010002 - 24 Dec 2024
Viewed by 366
Abstract
To address large volumetric expansion and low conductivity of bismuth-based anodes, an ion-replacement technique is proposed to prepare Bi/C composites, using 1,3,5-benzenetricarboxylicacid (H3BTC) based metal–organic framework as precursors. The characterizations reveal that the Bi/C composite derived from Cu-H3BTC is [...] Read more.
To address large volumetric expansion and low conductivity of bismuth-based anodes, an ion-replacement technique is proposed to prepare Bi/C composites, using 1,3,5-benzenetricarboxylicacid (H3BTC) based metal–organic framework as precursors. The characterizations reveal that the Bi/C composite derived from Cu-H3BTC is a sheet structure with the size of 150 nm, and Bi nanoparticles are uniformly dispersed in carbon sheets. When assessed as anode material for sodium ion batteries (SIBs), a sheet-like Bi/C anode exhibits superior sodium storage performance. It delivers a reversible capacity of 254.6 mAh g−1 at 1.0 A g−1 after 100 cycles, and the capacity retention is high at 91%. Even at 2.0 A g−1, the reversible capacity still reaches 242.8 mAh g−1. The efficient sodium storage performance benefits from the uniform dispersion of Bi nanoparticles in the carbon matrix, which not only provides abundant active sites but also alleviates the volume expansion. Meanwhile, porous carbon sheets can increase the electrical conductivity and accelerate the electrochemical reaction kinetics. Full article
(This article belongs to the Special Issue Thermal Safety of Lithium Ion Batteries—2nd Edition)
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<p>SEM images of Cu-MOF (<b>a</b>), Cu@C (<b>b</b>), Bi@C(Cu)) (<b>c</b>); (<b>d</b>,<b>e</b>) TEM and HRTEM images of Bi@C(Cu) and (<b>f</b>) the corresponding EDS elemental mapping.</p>
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<p>(<b>a</b>) XRD patterns of Bi@C(Cu), Bi@C(Zn), and Bi@C(Co); (<b>b</b>) TG curves of the Bi@C(Cu) composite; (<b>c</b>) XPS Survey spectrum of the Bi@C(Cu) composite; (<b>d</b>) Bi 4f; (<b>e</b>) C 1s; (<b>f</b>) O 1s.</p>
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<p>(<b>a</b>) CV profiles of the Bi@C(Cu) anode at 0.1 mV s<sup>−1</sup> between 0.01 and 3.0 V; (<b>b</b>) charging/discharging profiles of the Bi@C(Cu) anode at 1.0 A g<sup>−1</sup>; (<b>c</b>) rate performances of the Bi@C(Cu), Bi@C(Zn), and Bi@C(Co) anodes; (<b>d</b>) cyclical stability of Bi@C(Cu), Bi@C(Zn), and Bi@C(Co) anodes.</p>
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<p>Electrochemical kinetic analysis of the Bi@C(Cu) anode: (<b>a</b>) CV profiles from 0.1 to 0.6 mV s<sup>−1</sup>; (<b>b</b>) b-value analysis using the relationship between peak currents and scan rates; (<b>c</b>) capacitive contribution of the Bi@C anode at 0.2 mV s<sup>−1</sup>; (<b>d</b>) capacitive contribution at different scan rates; (<b>e</b>) EIS of the Bi@C(Cu), Bi@C(Zn), and Bi@C(Co) anodes before cycling; (<b>f</b>) EIS of the Bi@C(Cu), Bi@C(Zn), and Bi@C(Co) anodes after 100 cycles.</p>
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<p>SEM image of the cross section of Bi@C anodes: (<b>a</b>) the Bi@C(Cu) anode before cycling; (<b>b</b>) the Bi@C(Zn) anode before cycling; (<b>c</b>) the Bi@C(Co) anode before cycling; (<b>d</b>) the Bi@C(Cu) anode after cycling; (<b>e</b>) the Bi@C(Zn) anode after cycling; (<b>f</b>) the Bi@C(Co) anode after cycling.</p>
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16 pages, 4109 KiB  
Article
Diluting Ionic Liquids with Small Functional Molecules of Polypropylene Carbonate to Boost the Photovoltaic Performance of Perovskite Solar Cells
by Shuo Yang, Shaohua Chi, Youshuai Qi, Kaiyue Li, Xiang Zhang, Xinru Gao, Lili Yang and Jinghai Yang
Molecules 2024, 29(24), 6045; https://doi.org/10.3390/molecules29246045 - 22 Dec 2024
Viewed by 451
Abstract
It is necessary to overcome the relatively low conductivity of ionic liquids (ILs) caused by steric hindrance effects to improve their ability to passivate defects and inhibit ion migration to boost the photovoltaic performance of perovskite solar cells (PSCs). Herein, we designed and [...] Read more.
It is necessary to overcome the relatively low conductivity of ionic liquids (ILs) caused by steric hindrance effects to improve their ability to passivate defects and inhibit ion migration to boost the photovoltaic performance of perovskite solar cells (PSCs). Herein, we designed and prepared a kind of low-concentration 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF4) diluted with propylene carbonate (PC) via an ultrasonic technique (PC/IL). The decrease in the decomposition temperature related to the IL part and the increase in the sublimation temperature related to the PC part facilitated the use of PC/IL to effectively delay the crystallization process and passivate the defects in multiple ways to obtain high-quality perovskite films. Moreover, the increased conductivity of PC/IL and the more matched band alignment accelerated electron transport and collection. Finally, the MAPbI3- and CsMAFA-based PSCs achieved PCE values of 20.87% and 23.29%, respectively, and their stabilities were greatly improved. This work provides a promising approach to optimizing ILs to achieve multiple functions and boost the performance of PSCs. Full article
(This article belongs to the Special Issue Electrochemical Materials: Design and Energy Storage Applications)
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Graphical abstract
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<p>(<b>a</b>) <sup>1</sup>H NMR spectra of PC, IL, and PC/IL, and enlarged views of the areas framed by dashes. The yellow boxes correspond to the hydrogen atoms in N–CH=N, and the blue boxes correspond to the hydrogen atoms in–CH=CH–. (<b>b</b>) <sup>13</sup>C NMR spectra of IL and PC/IL. The green boxes correspond to the carbon atoms in C=O. (<b>c</b>) XPS spectra of O 1s orbit of PC and PC/IL.</p>
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<p>(<b>a</b>) <sup>1</sup>H NMR spectra of PC/IL with/without PbI<sub>2</sub>. The peaks marked by the dashed circle were enlarged and shown on the right side. (<b>b</b>) <sup>1</sup>H NMR spectra of PC/IL with/without MAI and an enlarged image at 7.5 ppm. The peaks marked by the dashed circle were enlarged and shown on the right side. The arrow and blue box indicate that the width of the peak has turned broader. (<b>c</b>) FTIR spectra of PC/IL, MAPbI<sub>3</sub>, and MAPbI<sub>3</sub>-PC/IL films. (<b>d</b>) XPS spectra of the Pb 4f and I 3d core level lines from MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL films.</p>
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<p>Possible interactions between PC/IL and perovskite precursors.</p>
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<p>(<b>a</b>) Statistical distribution of PCE of the pristine devices (purple) and PSCs based on PC(x%)/IL modification (x = 0% (yellow), 20% (red), 50% (blue), 70% (green), and 90% (orange)). (<b>b</b>) J–V curves of MAPbI<sub>3</sub>-based PSCs with PC(x%)/IL modification. (<b>c</b>) J–V curves of champion MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL-based PSCs with reverse and forward scans. (<b>d</b>) EQE spectra and integrated current curves (marked by the red color circles) for MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL PSCs.</p>
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<p>(<b>a</b>) Current/voltage (I-V) characteristics of devices (ITO/PC/IL/Ag with different molar fractions of PC: 0%, 50%, 70%, and 90%) under dark conditions. (<b>b</b>) Electrical conductivity of PC/IL via the molar fraction of PC at 24 °C. (<b>c</b>) The viscosity of PC/IL via the molar fraction of PC. Thermogravimetric analysis (TGA) curves of (<b>d</b>) IL, (<b>e</b>) PC, and (<b>f</b>) PC (70%)/IL in N<sub>2</sub> atmosphere.</p>
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<p>(<b>a</b>–<b>c</b>) SEM images and (<b>d</b>) XRD patterns of MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL films deposited on ITO/SnO<sub>2</sub>. (<b>e</b>) UV–visible absorption spectra, (<b>f</b>) PL, and (<b>g</b>) TRPL spectra of corresponding films deposited on glass substrates. (<b>h</b>) Dark I–V curves for MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL PSCs. (<b>i</b>) Trap density of corresponding films (1, MAPbI<sub>3</sub>; 2, MAPbI<sub>3</sub>-IL; and 3, MAPbI<sub>3</sub>-PC/IL) obtained from the SCLC method.</p>
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<p>Secondary electron cut-off region of UPS spectra of (<b>a</b>) MAPbI<sub>3</sub>, (<b>b</b>) MAPbI<sub>3</sub>-IL, and (<b>c</b>) MAPbI<sub>3</sub>-PC/IL films. Valence band region of the UPS spectra of (<b>d</b>) MAPbI<sub>3</sub>, (<b>e</b>) MAPbI<sub>3</sub>-IL, and (<b>f</b>) MAPbI<sub>3</sub>-PC/IL films. (<b>g</b>) Energy band diagram of MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL-based PSCs.</p>
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<p>Water contact angles of (<b>a</b>) MAPbI<sub>3</sub>, (<b>b</b>) MAPbI<sub>3</sub>-IL, and (<b>c</b>) MAPbI<sub>3</sub>-PC/IL films. (<b>d</b>) PCE variation curves dependent on the storage time (25 °C, RH = 20–30%) of MAPbI<sub>3</sub>, MAPbI<sub>3</sub>-IL, and MAPbI<sub>3</sub>-PC/IL PSCs. The dashed line is used to point out the final normalized PCE value.</p>
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21 pages, 5792 KiB  
Article
How Will Concrete Piles for Offshore Wind Power Be Damaged Under Seawater Erosion? Insights from a Chemical-Damage Coupling Meshless Method
by Caihong Wu, Bo Chen, Hao Wang, Jialin Dai, Shenghua Fan and Shuyang Yu
Materials 2024, 17(24), 6243; https://doi.org/10.3390/ma17246243 - 20 Dec 2024
Viewed by 321
Abstract
Based on the background of the continuously rising global demand for clean energy, offshore wind power, as an important form of renewable energy utilization, is booming. However, the pile foundations of offshore wind turbines are subject to long-term erosion in the harsh marine [...] Read more.
Based on the background of the continuously rising global demand for clean energy, offshore wind power, as an important form of renewable energy utilization, is booming. However, the pile foundations of offshore wind turbines are subject to long-term erosion in the harsh marine environment, and the problem of corrosion damage is prominent, which seriously threatens the safe and stable operation of the wind power system. In view of this, a meshless numerical simulation method based on smoothed particle hydrodynamics (SPH) and a method for generating the concrete meso-structures are developed. Concrete pile foundation models with different aggregate contents, particle sizes, and ion concentration diffusion coefficients are established to simulate the corrosion damage processes under various conditions. The rationality of the numerical algorithm is verified by a typical example. The results show that the increase in the aggregate percentage gradually reduces the diffusion rate of chemical ions, and the early damage development also slows down. However, as time goes, the damage will still accumulate continuously; when the aggregate particle size increases, the ion diffusion becomes more difficult, the damage initiation is delayed, and the early damage is concentrated around the large aggregates. The increase in the ion diffusion coefficient significantly accelerates the ion diffusion process, promotes the earlier and faster development of damage, and significantly deepens the damage degree. The research results contribute to a deeper understanding of the corrosion damage mechanisms of pile foundations and providing important theoretical support for optimizing the durability design of pile foundations. It is of great significance for ensuring the safe operation of offshore wind power facilities, prolonging the service life, reducing maintenance costs, and promoting the sustainable development of offshore wind power. Full article
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<p>Offshore wind power pile foundation diagram. (<b>a</b>) Pile foundation hoisting diagram; (<b>b</b>) pile foundation corrosion diagram.</p>
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<p>Schematic diagram of chemical ion concentration diffusion.</p>
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<p>Chemical corrosion model size with semicircular corrosion pit.</p>
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<p>Distributions of solid ion concentration in concrete.</p>
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<p>Evolution law of internal damage of concrete.</p>
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<p>Comparison of numerical simulation results with previous test results. (<b>a</b>) Numerical simulation results of this paper; (<b>b</b>) results of previous tests [<a href="#B41-materials-17-06243" class="html-bibr">41</a>].</p>
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<p>Model size and particle divisions.</p>
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<p>The expansion processes of chemical ion concentrations of concrete under different aggregate percentages and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">P</span>agg = 30%; (<b>b</b>) <span class="html-italic">P</span>agg = 35%; (<b>c</b>) <span class="html-italic">P</span>agg = 40%; (<b>d</b>) <span class="html-italic">P</span>agg = 45%.</p>
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<p>The expansion processes of chemical ion concentrations of concrete under different aggregate percentages and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">P</span>agg = 30%; (<b>b</b>) <span class="html-italic">P</span>agg = 35%; (<b>c</b>) <span class="html-italic">P</span>agg = 40%; (<b>d</b>) <span class="html-italic">P</span>agg = 45%.</p>
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<p>The expansion processes of chemical ion concentrations of concrete with different aggregate particle sizes and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.001 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.01 m; (<b>b</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.002 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.02 m; (<b>c</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.003 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.03 m; (<b>d</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.004 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.04 m.</p>
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<p>The expansion processes of chemical ion concentrations of concrete with different aggregate particle sizes and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.001 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.01 m; (<b>b</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.002 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.02 m; (<b>c</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.003 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.03 m; (<b>d</b>) <span class="html-italic">D</span><sub>min</sub> <span class="html-italic">=</span> 0.004 m, <span class="html-italic">D</span><sub>max</sub> <span class="html-italic">=</span> 0.04 m.</p>
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<p>The expansion processes of chemical ion concentrations of concrete with different ion expansion coefficients and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 2 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>b</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 4 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>c</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 6 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>d</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 8 × 10<sup>−1</sup> m<sup>2</sup>/L.</p>
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<p>The expansion processes of chemical ion concentrations of concrete with different ion expansion coefficients and the corresponding damage evolution laws. (<b>a</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 2 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>b</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 4 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>c</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 6 × 10<sup>−1</sup> m<sup>2</sup>/L; (<b>d</b>) <span class="html-italic">k</span><sub>Base</sub> <span class="html-italic">=</span> 8 × 10<sup>−1</sup> m<sup>2</sup>/L.</p>
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<p>Comparisons with the previous literature [<a href="#B42-materials-17-06243" class="html-bibr">42</a>]. (<b>a</b>) Numerical results; (<b>b</b>) previous experimental results [<a href="#B42-materials-17-06243" class="html-bibr">42</a>].</p>
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14 pages, 2916 KiB  
Article
Proteomic and Metabolomic Profiling Reveals Alterations in Boar X and Y Sperm
by Jia Cheng, Xu Hao, Weijing Zhang, Chenhao Sun, Xiameng Yuan, Yiding Yang, Wenxian Zeng and Zhendong Zhu
Animals 2024, 14(24), 3672; https://doi.org/10.3390/ani14243672 - 19 Dec 2024
Viewed by 417
Abstract
Sex-controlled sperm combined with artificial insemination allows animals to reproduce offspring according to the desired sex, accelerates the process of animal genetics and breeding and promotes the development of animal husbandry. However, the molecular markers for sexual sperm sorting are unusual. To identify [...] Read more.
Sex-controlled sperm combined with artificial insemination allows animals to reproduce offspring according to the desired sex, accelerates the process of animal genetics and breeding and promotes the development of animal husbandry. However, the molecular markers for sexual sperm sorting are unusual. To identify the molecular markers of boar sperm sorting, proteomics and metabolomics techniques were applied to analyze the differences in proteins and metabolism between X and Y sperm. Label-free quantitative proteomics identified 254 differentially expressed proteins (DEPs) in the X and Y sperm of boars, including 106 proteins that were highly expressed in X sperm and 148 proteins that were highly expressed in Y sperm. Among the differential proteins, COX6A1, COX1, CYTB, FUT8, GSTK1 and PFK1 were selected as potential biological markers for X and Y sperm sorting. Moreover, 760 metabolites from X and Y sperm were detected. There were 439 positive ion mode metabolites and 321 negative ion mode metabolites identified. The various metabolites were phosphoenolpyruvate, phytosphingosine, L-arginine, N-acetylputrescine, cytidine-5′-diphosphate and deoxyuridine. These metabolites were mainly involved in the TCA cycle, oxidative phosphorylation pathway, glycolysis pathway, lipid metabolism pathway, amino acid metabolism pathway, pentose phosphate pathway and nucleic acid metabolism pathway. The differential proteins and differential metabolites obtained by the combined proteomics and metabolomics analysis were projected simultaneously to the KEGG pathway, and a total of five pathways were enriched, namely oxidative phosphorylation pathway, purine metabolism, unsaturated fatty acid biosynthesis, ABC transporters and peroxisomes. In summary, COX6A1 and CYTB were identified as potential biomarkers for boar X and Y sperm sorting. Full article
(This article belongs to the Section Pigs)
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<p>(<b>a</b>) The counts of differentially expressed proteins (DEPs) in comparison in boar X/Y sperm (X sperm vs. Y sperm). (<b>b</b>) Volcano plot displaying significant DEPs between two different comparison groups. (<b>c</b>) Heatmap of significant DEPs within boar X/Y sperm. (<b>d</b>) Subcellular localization of significant DEPs within two different comparison groups.</p>
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<p>(<b>a</b>) GO annotations map of DEPs in boar X/Y sperm. The histogram represents the number of genes contained in the biological process, cellular component and molecular function, respectively. (<b>b</b>) Bubble diagram of the GO function with significant DEPs in boar X/Y sperm, <span class="html-italic">p</span> value &lt; 0.05. The size of the bubbles represents the number of genes involved in the pathway. (<b>c</b>) KEGG enrichment analysis of up/down-regulated DEPs in boar X/Y sperm.</p>
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<p>(<b>a</b>,<b>c</b>) Western blotting verification results for CYTB and COX6A1, respectively. α-tubulin was detected as housekeeping control. (<b>b</b>,<b>d</b>) Gray statistics of CYTB and COX6A1, respectively. ** <span class="html-italic">p</span> value &lt; 0.01. *** <span class="html-italic">p</span> value &lt; 0.001.</p>
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<p>(<b>a</b>) Comparative OPLS-DA analysis of positive (+) and negative (−) ionic mode detected two sperm types. (<b>b</b>) Comparative volcano plots of positive (+) and negative (−) ionic mode detected two sperm types; fold change &gt; 1.5 or fold change &lt; 0.667 and <span class="html-italic">p</span> &lt; 0.05. (<b>c</b>) Relative expression of DEMs of positive (+) and negative (−) ionic mode detected boar X/Y sperm, * <span class="html-italic">p</span> value &lt; 0.05. ** <span class="html-italic">p</span> value &lt; 0.01.</p>
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<p>(<b>a</b>) Pairwise comparison of the discriminated metabolites changed in TCA cycle. * <span class="html-italic">p</span> value &lt; 0.05. (<b>b</b>) Pairwise comparison of the discriminated metabolites changed in lipid metabolism. * <span class="html-italic">p</span> value &lt; 0.05. (<b>c</b>) Pairwise comparison of the discriminated metabolites changed in nucleotide metabolism. * <span class="html-italic">p</span> value &lt; 0.05.</p>
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<p>Oxidative phosphorylation pathway. Note: The oval in the KEGG figure represents the protein, the circle represents the metabolite; the red/blue indicates up-/down-regulated proteins/metabolites; and yellow indicates that proteins/metabolites detected but that there were no differences.</p>
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23 pages, 9832 KiB  
Article
Ion Manipulation from Liquid Xe to Vacuum: Ba-Tagging for a nEXO Upgrade and Future 0νββ Experiments
by Dwaipayan Ray, Robert Collister, Hussain Rasiwala, Lucas Backes, Ali V. Balbuena, Thomas Brunner, Iroise Casandjian, Chris Chambers, Megan Cvitan, Tim Daniels, Jens Dilling, Ryan Elmansali, William Fairbank, Daniel Fudenberg, Razvan Gornea, Giorgio Gratta, Alec Iverson, Anna A. Kwiatkowski, Kyle G. Leach, Annika Lennarz, Zepeng Li, Melissa Medina-Peregrina, Kevin Murray, Kevin O’Sullivan, Regan Ross, Raad Shaikh, Xiao Shang, Joseph Soderstrom, Victor Varentsov and Liang Yangadd Show full author list remove Hide full author list
Atoms 2024, 12(12), 71; https://doi.org/10.3390/atoms12120071 - 19 Dec 2024
Viewed by 374
Abstract
Neutrinoless double beta decay (0νββ) provides a way to probe physics beyond the Standard Model of particle physics. The upcoming nEXO experiment will search for 0νββ decay in 136Xe with a projected half-life sensitivity [...] Read more.
Neutrinoless double beta decay (0νββ) provides a way to probe physics beyond the Standard Model of particle physics. The upcoming nEXO experiment will search for 0νββ decay in 136Xe with a projected half-life sensitivity exceeding 1028 years at the 90% confidence level using a liquid xenon (LXe) Time Projection Chamber (TPC) filled with 5 tonnes of Xe enriched to ∼90% in the ββ-decaying isotope 136Xe. In parallel, a potential future upgrade to nEXO is being investigated with the aim to further suppress radioactive backgrounds and to confirm ββ-decay events. This technique, known as Ba-tagging, comprises extracting and identifying the ββ-decay daughter 136Ba ion. One tagging approach being pursued involves extracting a small volume of LXe in the vicinity of a potential ββ-decay using a capillary tube and facilitating a liquid-to-gas phase transition by heating the capillary exit. The Ba ion is then separated from the accompanying Xe gas using a radio-frequency (RF) carpet and RF funnel, conclusively identifying the ion as 136Ba via laser-fluorescence spectroscopy and mass spectrometry. Simultaneously, an accelerator-driven Ba ion source is being developed to validate and optimize this technique. The motivation for the project, the development of the different aspects, along with the current status and results, are discussed here. Full article
(This article belongs to the Special Issue Advances in Ion Trapping of Radioactive Ions)
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<p>Schematic depiction of the Ba-tagging approach involving extraction using a capillary tube, separation using an RF carpet and an RF funnel, and identification using laser-fluorescence spectroscopy in an LPT and MRTOF-MS. The respective pressures are shown in each step.</p>
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<p>(<b>Left</b>) CAD model of the TPC, probe, and detector chamber, without the displacement device. The stepper motors on the displacement device position the WS40 wobble stick. The internal shaft of the stick is magnetically coupled to its handle, enabling insertion and retraction of the capillary probe through the holes in the TPC cathode. (<b>Right</b>) Photographs of the displacement device with WS40 in its test stand and the PEEK rod encapsulating the capillary. The copper cap on the PEEK rod is part of the homing system to calibrate the probe position.</p>
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<p>Simulation showing the flow map of the 0.508 mm inner diameter capillary encapsulated in the PEEK rod, with an inlet velocity of 750 mm/s and the electric drift field turned off, showing a slice of the flow field. The 10 mm square indicates the extent of the diffuse ion cloud generated for extraction studies. The contour indicates the 0.2 mm/s flow boundary at the edge of the capture volume.</p>
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<p>(<b>Left</b>) Image of the capillary showing one of the heating clamps with RTD. (<b>Middle</b>) COMSOL simulation result of the density, showing where the heat is applied and the resulting density gradient as the phase transition occurs. (<b>Right</b>) COMSOL simulation result of the mixture velocity, showing the last length of capillary, demonstrating that the flow does not significantly deviate from laminar as the phase transition occurs.</p>
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<p>Schematic diagram of the RF funnel setup. Ions are injected through the converging–diverging nozzle at pressures of up to 10 bar. Injected ions are guided by the RF potentials applied to the annular disc electrodes of the RF funnel, while GXe is pumped out from between the electrodes. Ions then propagate through the SPIG and past Aperture 2 to be finally detected. Different ion detection setups were used downstream of Aperture 2. Taken from [<a href="#B25-atoms-12-00071" class="html-bibr">25</a>].</p>
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<p>CAD model rendering of the RF funnel test setup. A <sup>148</sup>Gd-driven Ba-ion source generates ions for supporting the commissioning. The RF funnel and other ion optics are located inside a cryopump chamber for Xe gas recovery, and turbomolecular pumps (TMP) evacuate chambers C and D in <a href="#atoms-12-00071-f005" class="html-fig">Figure 5</a>. Taken from [<a href="#B34-atoms-12-00071" class="html-bibr">34</a>].</p>
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<p>(<b>a</b>) The m/q spectrum of ionized entities extracted from a <sup>252</sup>Cf source at 2.1 bar GXe pressure. (<b>b</b>,<b>c</b>) Fits of this spectrum to possible singly charged molecular entities. Aside from no evidence of fission products, the spectrum shows the presence of singly charged Xe and molecules such as xenon dimers (XeXe), xenon hydride-hydroxide (HXeOH), and possibly xenon hydride (HXe). Taken from [<a href="#B37-atoms-12-00071" class="html-bibr">37</a>].</p>
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<p>Picture of the Ba-tagging apparatuses being commissioned at McGill University for studying ion extraction from GXe. Vacuum system shown here houses the RF funnel, which connects to the cryopump chamber via a proportional gate valve. Located downstream from the RF funnel are the LPT and the MRTOF-MS.</p>
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<p>CAD model rendering of the Ba-tagging setup for <sup>136</sup>Ba<sup>+</sup> extraction from GXe. Shown are the RF funnel, LPT, and MRTOF-MS going from top to bottom. Starting from pressures of up to 10 bar, ions pass through (1) the RF funnel and the SPIG to arrive in a high-vacuum environment in (2) the LPT LAS chamber. Lenses of this LAS allow the focusing and steering of ions, while the quadrupole bender allows selecting between ions from the LAS and the RF funnel. The QMF filters incoming ions based on their m/q ratio and guides the ions to the LPT. The precooler gradually cools ions, which are then trapped in (3) the cooler and buncher, which are used to cool and bunch the ions, respectively. After bunching, the ions are ejected to the MRTOF-MS, passing through the MRTOF-MS LAS bender, (4) ion optics, and a collimating aperture. In the MRTOF-MS, ions are reflected several times between (5) two sets of electrostatic mirrors before being detected using a CEM to obtain a time-of-flight spectrum.</p>
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<p>Bunched ion spectrum and waveform from run using bunched cesium ions. (<b>a</b>) Typical waveform of one ion bunch recorded using a CAEN DT5730. (<b>b</b>) Histogram of samples above the signal noise threshold, accumulated and averaged over 10,000 waveforms.</p>
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<p>Ion source for Ba extraction tests at TRIUMF. (<b>Left</b>) An engineering rendering of the apparatus showing the IC enclosed by a vacuum jacket, the MC, and the extraction probe. (<b>Inset</b>) Zoomed view of the engineering rendering of the IC, labeling the beam entrance window, the probe tip (or electroprobe), and the Faraday cup, and showing the estimated LXe fill level in a light blue line. (<b>Right</b>) Photograph of the setup being assembled at TRIUMF’s ISAC-II experimental hall. See text for details.</p>
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<p>Simulations of ion implantation inside LXe, at 1 bar pressure, having a density of 3.1 kg/L, after passing through a 25 μm Be window, with a density of 1.845 kg/L, using TRIM. (<b>a</b>) TRIM simulations showing <sup>139</sup>Cs ions with energy of 4 MeV/u being stopped in LXe. The white vertical line represents the boundary between the Be window and the LXe medium. (<b>b</b>) Lateral (in Y-direction) and longitudinal (in Z-direction) straggling of a beam of maximum possible energy of 10 MeV/u. The red cross around (0, 0) marks the hypothetical alignment point of the probe tip.</p>
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<p>Simulations of ion collection in LXe using COMSOL Multiphysics. The ions enter the volume from the left side. (<b>a</b>) Electric potential in LXe generated by the application of <math display="inline"><semantics> <mrow> <mo>−</mo> <mn>500</mn> </mrow> </semantics></math> V on the probe tip, with the field lines overlaid on top of that heat map. (<b>b</b>) The time required for 100% efficient collection for ions starting from different positions for different probe biases.</p>
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<p>Decay scheme for <sup>139</sup>Cs →<sup>139</sup>Ba →<sup>139</sup>La showing the <math display="inline"><semantics> <mi>β</mi> </semantics></math>-decay (in solid red arrows) and <math display="inline"><semantics> <mi>γ</mi> </semantics></math>-decay (in solid blue arrows) branches for the relevant levels. The energies are in keV, and the levels are not to scale. Data taken from Ref. [<a href="#B57-atoms-12-00071" class="html-bibr">57</a>].</p>
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<p>Geant4 simulations: (<b>a</b>) The model with the chamber hosting the probe tip, the Be window, and the Ge crystal of the HPGe detector. (<b>b</b>) Photon spectrum acquired over 90 min from a deposit containing <math display="inline"><semantics> <msup> <mn>10</mn> <mn>7</mn> </msup> </semantics></math> ions of <sup>139</sup>Cs and <sup>139</sup>Ba in a ratio of 1:1. The 166 keV peak from internal transitions in <sup>139</sup>La is labelled. Also shown is a 33 keV X-ray peak. The inset is zoomed in on the energy range between ∼310 keV and ∼1760 keV to show the 627 keV and 1283 keV peaks from internal transitions in <sup>139</sup>Ba.</p>
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18 pages, 8548 KiB  
Article
High-Volume Phosphogypsum Cement Stabilized Road Base: Preparation Methods and Strength Formation Mechanism
by Meng Zou, Zhaoyi He, Yuhua Xia, Qinghai Li, Qiwen Yao and Dongwei Cao
Materials 2024, 17(24), 6201; https://doi.org/10.3390/ma17246201 - 19 Dec 2024
Viewed by 300
Abstract
This study investigated the potential for efficient and resourceful utilization of phosphogypsum (PG) through the preparation of a High-volume Phosphogypsum Cement Stabilized Road Base (HPG-CSSB). The investigation analyzed the unconfined compressive strength (UCS), water stability, strength formation mechanism, microstructure, and pollutant curing mechanism [...] Read more.
This study investigated the potential for efficient and resourceful utilization of phosphogypsum (PG) through the preparation of a High-volume Phosphogypsum Cement Stabilized Road Base (HPG-CSSB). The investigation analyzed the unconfined compressive strength (UCS), water stability, strength formation mechanism, microstructure, and pollutant curing mechanism of HPG-CSSB by laser diffraction methods (LD), X-ray diffraction (XRD), fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), and inductively coupled plasma-mass spectrometry (ICP-MS). The optimal mix ratio of HPG-CSSB was 4% cement, 1% CA2, 35% PG, and 60% graded crushed stone. The UCS reached 6.6 MPa, 9.3 MPa, and 11.3 MPa at 7, 28, and 60 d, respectively. The alkaline curing agent stimulated cement activity and accelerated the release of Ca2+ and SO42− from the PG. This formed many C-S-H gels and ettringite (AFt). The curing agent converted Ca2+ to C-(A)-S-H gels due to high volcanic ash activity. The diverse hydration products strengthened HPG-CSSB. The HPG-CSSB exhibits favorable water stability, demonstrating a mere 7.6% reduction in strength following 28 d of immersion. The C-S-H gel and AFt generated in the system can carry out ion exchange and adsorption precipitation with F and PO43− in PG, achieving the curing effect of toxic and hazardous substances. HPG-CSSB meets the Class A standard for integrated wastewater discharge. Full article
(This article belongs to the Special Issue Environmentally Friendly Composites Incorporating Waste Materials)
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<p>Raw material morphology.</p>
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<p>Preparation process of HPG-CSSB samples.</p>
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<p>SEM of raw materials.</p>
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<p>XRD of raw materials.</p>
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<p>Water content of PG versus time.</p>
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<p>Particle-size distribution of PG.</p>
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<p>Unconfined compressive strength of HPG-CSSB at 7 d, 28 d, and 60 d.</p>
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<p>Water stability coefficient of HPG-CSSB at 7 d and 28 d.</p>
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<p>XRD and quantitative analysis of HPG-CSSB with 40% inorganic binders at 28 d.</p>
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<p>FTIR spectra of HPG-CSSB with 40% inorganic binders at 28 d.</p>
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<p>SEM-EDS of HPG-CSSB with 40% inorganic binders at 28 d.</p>
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15 pages, 3127 KiB  
Article
Research on the Thermal Safety of Ion-Doped Na3V2(PO4)3 for Sodium-Ion Batteries
by Bo Pei, Xin Qiao, Que Huang, Changcheng Liu, Mengna Shi, Xiaomei Jiang, Feng Li and Li Guo
Metals 2024, 14(12), 1453; https://doi.org/10.3390/met14121453 - 18 Dec 2024
Viewed by 462
Abstract
Na3V2 (PO4)3 (NVP) is considered to be a promising cathode material for sodium-ion batteries (SIBs). Ion doping can effectively improve its structural deformation, poor conductivity, and electrochemical performance. However, the research on the effect of ion doping [...] Read more.
Na3V2 (PO4)3 (NVP) is considered to be a promising cathode material for sodium-ion batteries (SIBs). Ion doping can effectively improve its structural deformation, poor conductivity, and electrochemical performance. However, the research on the effect of ion doping on the thermal stability of NVP is still limited. In this paper, Mg/Ti co-doped and Mn/Ti co-doped modified NVP with carbon nanotubes (CNTs) (MgTi@ CNTs and MnTi@CNTs) were prepared, respectively, and X-ray diffraction (XRD) results proved that MgTi@CNTs and MnTi@CNTs have good structural stability and crystallinity. The electrochemical performance indicates that the dual strategy of p-n-type co-doping and CNT coating provides superior sodium storage performance, enhancing both electronic conductivity and ion diffusion. Secondly, based on the safety point of view, the thermal stability of p-n-type ion-doped NVP and its mixed system with electrolyte in a charged state was studied by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and accelerated calorimeter (ARC). The results show that the optimized MgTi@CNTs and MnTi@CNTs electrodes exhibit excellent thermal stability in the absence of electrolytes, indicating their high intrinsic safety. However, it is worth noting that in the electrode/electrolyte system, p-n-type ion-doped NVP have higher reactivity with the electrolyte, and their comprehensive thermal safety is lower than that of NVP. Therefore, in practical applications, it is necessary to comprehensively consider the thermal stability of the material and the thermal safety of its mixed system with the electrolyte. This paper provides a data basis for the practical application of NVP in SIBs. Full article
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<p>(<b>a</b>) XRD patterns of NVP, MgTi@CNTs, and MnTi@CNTs samples; refined XRD patterns of (<b>b</b>) NVP, (<b>c</b>) MgTi@CNTs, (<b>d</b>) MnTi@CNTs samples.</p>
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<p>(<b>a</b>) First GCD curves of NVP, MgTi@CNTs, and MnTi@CNTs at 0.1 C. (<b>b</b>) Rate performance curves of NVP, MgTi@CNTs, and MnTi@CNTs at 2–24 C. (<b>c</b>) Cycling curves of NVP, MgTi@CNTs, and MnTi@CNTs at 2 C.</p>
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<p>(<b>a</b>) DSC curves of NVP electrodes, (<b>b</b>) TG/DTG curves of NVP electrodes.</p>
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<p>(<b>a</b>) DSC curves of MgTi@CNTs electrodes, (<b>b</b>) TG/DTG curves of MgTi@CNTs electrodes.</p>
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<p>(<b>a</b>) DSC curve of MnTi@CNTs electrode, (<b>b</b>) TG/DTG curve of MnTi@CNTs electrode.</p>
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<p>(<b>a</b>) Time–temperature curve and (<b>b</b>) temperature-heating rate curve of NVP, MgTi@CNTs, and MnTi@CNTs batteries.</p>
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<p>The kinetic fitting curves of NVP, MgTi@CNTs, and MnTi@CNTs batteries.</p>
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14 pages, 6402 KiB  
Article
3D-Printed Hydrogel Scaffolds Loaded with Flavanone@ZIF-8 Nanoparticles for Promoting Bacteria-Infected Wound Healing
by Jian Yu, Xin Huang, Fangying Wu, Shasha Feng, Rui Cheng, Jieyan Xu, Tingting Cui and Jun Li
Gels 2024, 10(12), 835; https://doi.org/10.3390/gels10120835 - 18 Dec 2024
Viewed by 523
Abstract
Bacterial-infected skin wounds caused by trauma remain a significant challenge in modern medicine. Clinically, there is a growing demand for wound dressings with exceptional antibacterial activity and robust regenerative properties. To address the need, this study proposes a novel multifunctional dressing designed to [...] Read more.
Bacterial-infected skin wounds caused by trauma remain a significant challenge in modern medicine. Clinically, there is a growing demand for wound dressings with exceptional antibacterial activity and robust regenerative properties. To address the need, this study proposes a novel multifunctional dressing designed to combine efficient gas exchange, effective microbial barriers, and precise drug delivery capabilities, thereby promoting cell proliferation and accelerating wound healing. This work reports the development of a 3D-printed hydrogel scaffold incorporating flavanone (FLA)-loaded ZIF-8 nanoparticles (FLA@ZIF-8 NPs) within a composite matrix of κ-carrageenan (KC) and konjac glucomannan (KGM). The scaffold forms a stable dual-network structure through the chelation of KC with potassium ions and intermolecular hydrogen bonding between KC and KGM. This dual-network structure not only enhances the mechanical stability of the scaffold but also improves its adaptability to complex wound environments. In mildly acidic wound conditions, FLA@ZIF-8 NPs release Zn2+ and flavanone in a controlled manner, providing sustained antibacterial effects and promoting wound healing. In vivo studies using a rat full-thickness infected wound model demonstrated that the FLA@ZIF-8/KC@KGM hydrogel scaffold significantly accelerated wound healing, showcasing its superior performance in the treatment of infected wounds. Full article
(This article belongs to the Special Issue Properties and Structure of Hydrogel-Related Materials (2nd Edition))
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<p>Schematic diagram of 3D-printed hydrogel scaffolds and their application in a rat full-thickness infected wound model. (<b>a</b>) Schematic representation of one-pot synthesis of FLA@ZIF-8 NPs. (<b>b</b>) Fabrication process of FLA@ZIF-8/KC@KGM hydrogel scaffold using 3D printing technology. (<b>c</b>) Effects of FLA@ZIF-8/KC@KGM hydrogel scaffold on the infected wound healing.</p>
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<p>SEM images of (<b>a</b>) ZIF-8 and (<b>b</b>) FLA@ZIF-8 NPs. (<b>c</b>) The average size of ZIF-8 and FLA@ZIF-8 NPs. (<b>d</b>) FTIR spectra and (<b>e</b>) XRD patterns of ZIF-8 NPs, FLA, and FLA@ZIF-8 NPs. (<b>f</b>) Nitrogen adsorption isotherms of ZIF-8 and FLA@ZIF-8 NPs.</p>
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<p>(<b>a</b>) Photograph of FLA@ZIF-8/KC@KGM hydrogel scaffold. (<b>b</b>,<b>c</b>) SEM images of FLA@ZIF-8/KC@KGM hydrogel scaffold. (<b>d</b>) Tensile strain curves of hydrogel scaffolds with different KC/KGM mass ratios. (<b>e</b>) Tensile strain curves of hydrogel scaffolds with different FLA@ZIF-8 NPs contents.</p>
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<p>FLA release from (<b>a</b>) HS 2, (<b>b</b>) HS 3, and (<b>c</b>) HS 4 at pH values of 7.5, 6.5, and 5.0. Bars represent standard error, <span class="html-italic">n</span> = 3 per group.</p>
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<p>Growth curves of (<b>a</b>) <span class="html-italic">E. coli</span> and (<b>b</b>) <span class="html-italic">S. aureus</span> of different groups. (<b>c</b>) Photographs and (<b>d</b>) antibacterial rates of <span class="html-italic">E. coli</span> and <span class="html-italic">S. aureus</span> with HS 1, HS 2, HS 3, HS 4 hydrogel scaffolds. (<b>e</b>) The cell viability study was performed using L929 fibroblast cells with the MTT assay versus different culture times. Data are shown as mean values ± SD. Bars represent standard error, <span class="html-italic">n</span> = 3 per group, * <span class="html-italic">p</span> &lt; 0.05, ** <span class="html-italic">p</span> &lt; 0.01.</p>
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<p>(<b>a</b>) Photographs of the wound healing process; (<b>b</b>) simulation wound bed closure trace and wound contraction on days 0, 3, 6, 9, 12, and 15 in the control, HS 1, HS 2, HS 3, and HS 4 groups. Scale bar: 5 mm. (<b>c</b>,<b>d</b>) The wound contraction rates of the control group and the four experimental groups at 0, 3, 6, 9, 12, and 15 days post-treatment. Data are presented as means with standard deviations as error bars, <span class="html-italic">n</span> = 5, * <span class="html-italic">p</span> &lt; 0.05, ** <span class="html-italic">p</span> &lt; 0.01.</p>
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13 pages, 5532 KiB  
Article
Enhancement of Mechanical and Chloride Binding Properties in Seawater Cement Using a Novel Carbon Nanomaterial
by Yin Hu, Tianyao Hong, Sheng Zhou, Chuang He, Haijie He and Shifang Wang
Buildings 2024, 14(12), 4020; https://doi.org/10.3390/buildings14124020 - 18 Dec 2024
Viewed by 513
Abstract
Chloride binding technology can effectively reduce the content of free chloride ions in seawater (used for cementitious materials), thereby extending the service life of seawater concrete structures. Currently, affordable and highly dispersed nanomaterials that can enhance the chloride binding capability of seawater cement [...] Read more.
Chloride binding technology can effectively reduce the content of free chloride ions in seawater (used for cementitious materials), thereby extending the service life of seawater concrete structures. Currently, affordable and highly dispersed nanomaterials that can enhance the chloride binding capability of seawater cement are finite. This paper presents the first experimental study on N-doped graphene quantum dots (NGQDs), an innovative carbon nanomaterial with low price and high dispersibility, to strengthen the mechanical and chloride binding capabilities of seawater cement. Concretely, NGQDs are prepared through the hydrothermal process. The morphology and structure of NGQDs are measured by TEM, AFM, FTIR, and XPS. And the strengths and chloride binding performance of different specimens are analyzed by compressive/flexural strength tests and chloride adsorption equilibrium tests. The phase compositions of various specimens are analyzed by XRD, TGA/DTG, and SEM. The consequences indicate that the unique structure of the prepared NGQDs endows them with excellent water solubility and dispersibility. Notably, the introduction of NGQDs enhances the mechanical performance of seawater cement and 0.05 wt.% NGQDs have the greatest improvement effect. The compressive and flexural strengths of seawater cement containing 0.05 wt.% NGQDs increase by 8.21% and 25.77% after 28 d curing, respectively. Additionally, the seawater cement containing 0.2 wt.% NGQDs have the best chloride binding capability and are 41.08% higher than the blank group. More importantly, the chloride binding mechanism is that NGQDs accelerate seawater cement hydration, resulting in an increased formation of hydrated calcium silicate (C–S–H) and Friedel’s salt (Fs), thereby strengthening the physisorption and chemical combination of chloride. This study highlights an inexpensive and highly dispersible nanomaterial to heighten the stability of seawater concrete structures, opening up a new path for the better utilization of seawater resources. Full article
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<p>(<b>a</b>) NGQDs powder; (<b>b</b>) TEM, (<b>c</b>) AFM, and (<b>d</b>) Raman spectra of NGQDs.</p>
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<p>(<b>a</b>) FTIR spectra and (<b>b</b>–<b>d</b>) high-resolution XPS: C1s, O1s, and N1s of NGQDs.</p>
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<p>(<b>a</b>) Compressive and (<b>b</b>) flexural strengths of various groups after curing for 28 d.</p>
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<p><span class="html-italic">C</span><sub>b</sub> values of different groups after a 24 h soak in DI water.</p>
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<p>XRD patterns of diverse groups after a 24 h soak in DI water.</p>
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<p>(<b>a</b>) TGA and (<b>b</b>) DTG of diverse groups after a 24 h soak in DI water.</p>
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<p>SEM images of various groups after a 24 h soak in DI water: (<b>a</b>) C0, (<b>b</b>) C2, and (<b>c</b>) C4.</p>
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<p>Chloride binding mechanism of seawater cement: (<b>a</b>) without NGQDs and (<b>b</b>) with NGQDs.</p>
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22 pages, 12960 KiB  
Article
Fluorinated Porcine Bone-Derived Hydroxyapatite Promotes Vascularized Osteogenesis by Coordinating Human Bone Marrow Mesenchymal Stem Cell/Human Umbilical Vein Endothelial Cell Complexes
by Xiayi Wu, Chunxin Xu, Junming Feng, Shiyu Wu, Runheng Liu, Wei Qiao, Xin Luo, Shoucheng Chen, Zhipeng Li and Zhuofan Chen
Bioengineering 2024, 11(12), 1287; https://doi.org/10.3390/bioengineering11121287 - 18 Dec 2024
Viewed by 511
Abstract
Biogenic hydroxyapatite is known for its osteoinductive potential due to its similarity to human bone and biocompatibility, but insufficient vascularization compared to autogenous bone during early implantation limits bone integration and osteogenesis. Fluorine has been shown to improve hydroxyapatite’s mechanical properties and the [...] Read more.
Biogenic hydroxyapatite is known for its osteoinductive potential due to its similarity to human bone and biocompatibility, but insufficient vascularization compared to autogenous bone during early implantation limits bone integration and osteogenesis. Fluorine has been shown to improve hydroxyapatite’s mechanical properties and the coupling of osteogenic and angiogenic cells. In this study, fluorine-modified biogenic hydroxyapatite (FPHA) with varying fluorine concentrations was prepared and tested for its ability to promote vascularized osteogenesis. FPHA prepared in this study retained the natural porous structure of biological cancellous bone and released F ions when immersed in cell culture medium. The extraction solutions of FPHA0.25 and FPHA0.50 promoted the formation of capillary-like tubes by human umbilical vein endothelial cells (HUVECs), with FPHA0.25 significantly upregulating vegf mRNA and VEGF protein levels in co-cultured human bone marrow mesenchymal stem cells (HBMSCs). Additionally, FPHA0.25 and FPHA0.50 upregulated pdgf-bb mRNA and PDGF-BB protein levels in HUVECs. In vivo experiments using a rabbit cranial defect model demonstrated that FPHA0.25 promoted early bone formation and angiogenesis in the defect area, enhanced VEGF secretion, and increased PDGFR-β expression in endothelial and mesenchymal cells. These findings suggest that fluorine-modified biogenic hydroxyapatite with an optimal fluorine concentration (FPHA0.25) may offer a promising strategy to enhance the body’s innate bone-healing potential by accelerating vascularization. Full article
(This article belongs to the Section Regenerative Engineering)
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<p>Preparation and physicochemical characterization of PHA and FPHA. (<b>A</b>) Preparation of bone blocks; (<b>B</b>,<b>C</b>) Morphological observation of bone blocks under a stereomicroscope; (<b>D</b>–<b>F</b>) Pore analysis of PHA and FPHA; (<b>G</b>) The ion concentration analysis of PHA and FPHA extracts. *: significant difference vs. control (<span class="html-italic">p</span> &lt; 0.05). **: very significant difference vs. control (<span class="html-italic">p</span> &lt; 0.01).</p>
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<p>Optical images (at 50× magnification) of the in vitro angiogenesis assay of cells cultured on Matrigel in the presence of 10% PHA, FPHA0.25, FPHA0.50, and FPHA0.75 extracts for 4 h. (<b>A</b>) HUVECs alone; (<b>B</b>) HUVECs co-cultured with HBMSCs. Quantitative evaluation for tube formation after being cultured on Matrigel for 4 h in the presence of the extracts of PHA, FPHA0.25, FPHA0.50, and FPHA0.75: (<b>C</b>) Covered area; (<b>D</b>) Total tube length; (<b>E</b>) Total loops; (<b>F</b>) Total tubes; *: significant difference vs. control (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>Influence of FPHA extract on the gene expression and secretory profile of HBMSCs and HUVECs in a co-culture model. (<b>A</b>) ELISA analysis of concentrations of VEGF-a in the supernatant of the co-cultured HBMSCs and HUVECs; (<b>B</b>) Concentrations of PDGF-BB in the supernatant of the co-cultured HBMSCs and HUVECs; (<b>C</b>) Expressions of the angiogenesis-related genes (<span class="html-italic">vegf</span> and its receptor kdr, <span class="html-italic">pdgf-bb</span> and its receptor <span class="html-italic">pdgfr-β</span> co-cultured with extracts of PHA, FPHA0.25, FPHA0.50, and FPHA0.75 for 24 h; (<b>D</b>) Western blot analysis of the co-cultured HBMSCs and HUVECs confirmed that both PDGFRβ and phosphorylation-PDGFRβ were present with or without extracts of FPHA (PHA, FPHA0.25, FPHA0.50, or FPHA0.75). *: significant difference vs. control (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>The surgical procedures: (<b>A</b>–<b>G</b>) The parietal bone was divided into four quadrants by the sagittal and coronal sutures (<b>C</b>) The schematic diagram of circular bone defect preparation divides the calvarial bone into four quadrants using the sagittal (a) and coronal sutures. The sites are labeled sequentially as ① (left anterior), ② (right anterior), ③ (left posterior), and ④ (right posterior). (<b>D</b>) in which a 7 mm diameter circular full-thickness defect was prepared; (<b>E</b>) defects were filled with bone graft material in accordance with the original anatomical shape of the skull; (<b>F</b>,<b>G</b>) covered and fixed implant material by the bilateral periosteum subcutaneous tissues and sutured the skin. Schematic diagram showing the animal and grafted defect groups. (<b>H</b>) Detailed grouping and experimental plan for the animal study.</p>
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<p>Micro-CT evaluation of bone formation in the cranial defect region of rabbits. (<b>A</b>) Three-dimensional reconstruction of rabbit calvarial bone defects ((<b>a</b>,<b>b</b>,<b>i</b>,<b>j</b>) were blank controls; (<b>c</b>,<b>d</b>,<b>k</b>,<b>l</b>) defects were grafted with PHA; (<b>e</b>,<b>f</b>,<b>m</b>,<b>n</b>) FPHA0.25; (<b>g</b>,<b>h</b>,<b>o</b>,<b>p</b>) FPHA0.50 granules; the upper two columns represented 6 w post-surgery and the lower two columns represented 16 w post-surgery). (<b>B</b>) Bone volume over total tissue volume (%) and (<b>C</b>). The percentage of new bone formation (%) within the bone defect of the blank control, PHA, FPHA0.25, and FPHA0.50 at 6 weeks and 16 weeks post-surgery. (* indicated <span class="html-italic">p</span> &lt; 0.05).</p>
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<p>H&amp;E staining for the decalcified sections of PHA, FPHA0.25, and FPHA0.50 implanted into calvarial defects of rabbits for 2, 6, and 16 weeks. (<b>A</b>) Photomicrographs at 200× magnification. (<b>B</b>) Microvessel density analysis after 2 w, 6 w, and 16 w post-implantation, * significant difference vs. blank control (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>Representative photomicrographs of IHC staining. (<b>A</b>,<b>B</b>), respectively, show the VEGF and PDGFR-β distribution in the decalcified sections of the rabbit calvarial defects for 2, 6, and 16 weeks: the blank defect without grafting materials and defects grafted with PHA, FPHA0.25, FPHA0.50, and FPHA0.75. (<b>C</b>,<b>D</b>) Quantitative analysis for angiogenic factors VEGF and PDGFR-β present in the FPHA grafted calvaria defect of rabbits for 2, 6, and 16 weeks. * significant difference vs. blank control (<span class="html-italic">p</span> &lt; 0.05).</p>
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14 pages, 2099 KiB  
Article
Adsorption of Vanadium (V) on Amorphous and Modified Silica
by Olga A. Timoshchik, Tatiana D. Batueva, Elena A. Belogurova and Alexander G. Kasikov
Water 2024, 16(24), 3628; https://doi.org/10.3390/w16243628 - 17 Dec 2024
Viewed by 321
Abstract
In this work, we investigate V(V) sorption on amorphous and modified silica. Silicon dioxide was obtained from the metallurgical slag. The impact of modification on vanadium sorption was studied. The surface was modified with hydrazides (HDs) and dimethylhydrazides (DMHDs) of the tertiary carbonic [...] Read more.
In this work, we investigate V(V) sorption on amorphous and modified silica. Silicon dioxide was obtained from the metallurgical slag. The impact of modification on vanadium sorption was studied. The surface was modified with hydrazides (HDs) and dimethylhydrazides (DMHDs) of the tertiary carbonic Versatic acids CH3R1R2CC(O)OH of the C10–19 fractions. The optimal sorption conditions on the unmodified sorbent were pH 4, 1 h, and 40 °C. The sorption capacity of V(V) ions increased with surface modification. For modified sorbents, the range of action shifted to a more acidic area (2.0–3.0), where the HV10O285− polyanion formed a complex with N′,N′-dimethylhydrazide groups. When studying the kinetics of the V(V) sorption process on silica samples, the optimum time of adsorption equilibrium establishment (10 min) and reaction mechanism were determined. The sorption process was significantly accelerated by surface modification. The vanadium sorption process is described by pseudo-second-order kinetics. The study of adsorption isotherms revealed that the vanadium sorption isotherm corresponds to the Langmuir equation. The differences in the extraction of vanadium ions are explained by different sorption mechanisms, which are associated with the variety of vanadium forms in the solution. Full article
(This article belongs to the Section Wastewater Treatment and Reuse)
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<p>The pore distribution of the samples as a function of the specific surface value of SiO<sub>2</sub>.</p>
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<p>Structure of sorbents before (<b>a</b>) and after (<b>b</b>) surface modification with N′,N′-dimethylhydrazides.</p>
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<p>Low-temperature adsorption isotherms of nitrogen for the original (1) and modified (2) sorbents.</p>
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<p>Integral (black line) and differential (blue line) curves of the pore size distribution for the original (<b>a</b>) and the modified sorbent (<b>b</b>) I+DMHD (IV).</p>
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<p>Sorption capacity of sorbents to ions V(V) in relation to pH (mSiO<sub>2</sub> = 0.02 g, C(V) = 0.001 mol/L, τ = 20 min).</p>
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<p>The dependence of the kinetic curve of adsorption of V(V) by sorbent IV at 20 °C on time (<b>a</b>), and the time dependence of the degree of completion of the adsorption process of V(V) by sorbent IV at 20 °C (<b>b</b>).</p>
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<p>Dependencies −ln(1 − <span class="html-italic">F</span>) on time t (<b>a</b>) and F on t<sup>1/2</sup> (<b>b</b>) in the sorption of V(V) ions on sorbent IV.</p>
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<p>Kinetic curves of vanadium sorption: (<b>a</b>) pseudo-first-order and (<b>b</b>) pseudo-second-order.</p>
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23 pages, 6698 KiB  
Article
Spatial Distribution and Mechanisms of Groundwater Hardness in the Plain Area of Tangshan City, China
by Shiyin Wen, Meng Wen, Shuang Liang, Guoxing Pang, Jianhui Fan, Mingqi Dong, Yang Wang, Jianan Zhang and Yingying Ye
Water 2024, 16(24), 3627; https://doi.org/10.3390/w16243627 - 17 Dec 2024
Viewed by 377
Abstract
Groundwater resources play a critical role in meeting the agricultural, industrial, and domestic water demands of Tangshan, a key industrial city in China. However, with the acceleration of urbanization and the overextraction of groundwater, issues related to groundwater quality have become increasingly apparent. [...] Read more.
Groundwater resources play a critical role in meeting the agricultural, industrial, and domestic water demands of Tangshan, a key industrial city in China. However, with the acceleration of urbanization and the overextraction of groundwater, issues related to groundwater quality have become increasingly apparent. Notably, groundwater hardness has steadily increased over the years, posing risks to human health and elevating industrial water treatment costs. This study analyzed the spatial distribution characteristics and causes of groundwater hardness using 214 groundwater quality samples collected in 2022 from the plain area of Tangshan City, employing inverse distance weighting (IDW), Gibbs diagrams, ion ratios, mineral saturation indices, and Pearson correlation analysis. The results indicate that, in horizontal distribution, high-hardness groundwater is predominantly concentrated in the southern coastal plain area, with hardness gradually decreasing from south to north. Vertically, shallow groundwater in the coastal plain exhibits significantly higher hardness than deep groundwater, with a non-compliance rate of 94.12%, while deep groundwater hardness remains markedly lower. Mid-depth groundwater (60–300 m) in the alluvial plain exhibits elevated hardness, primarily attributed to mineral dissolution and agricultural irrigation return flow. The spatial distribution pattern of groundwater hardness across the study area is predominantly governed by hydrogeochemical processes and hydrochemical environmental factors, with cation exchange adsorption and evaporation–concentration processes identified as the dominant influences. The analysis of ion sources indicates that Ca2+ and Mg2+, the primary contributors to groundwater hardness in the area, are mainly derived from the weathering and dissolution of carbonate minerals, sulfate minerals, and cation exchange processes. Therefore, an in-depth investigation into the spatial distribution and driving factors of groundwater hardness in Tangshan can provide a scientific basis for regional water resource management, pollution control, and water quality optimization. Such research also supports the development of sustainable groundwater management and optimization strategies. Full article
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<p>Sampling Point Distribution Map of the Study Area.</p>
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<p>(<b>a</b>) Distribution Map of Hardness in the Study Area. (<b>b</b>) Distribution Map of Cl<sup>−</sup> in the Study Area. (<b>c</b>) Distribution Map of TDS in the Study Area. (<b>d</b>) Distribution Map of Total Alkalinity<sup>−</sup> in the Study Area.</p>
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<p>The Relationship between Groundwater TH and Well Depth.</p>
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<p>Gibbs Map of Groundwater in the Plain Area of Tangshan City.</p>
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<p>(<b>a</b>) Ratio relationship between (Ca<sup>2+</sup> + Mg<sup>2+</sup>) and HCO<sub>3</sub><sup>−</sup> in the study area. (<b>b</b>) Ratio relationship between (Ca<sup>2+</sup> + Mg<sup>2+</sup>) and (HCO<sub>3</sub><sup>−</sup> + SO<sub>4</sub><sup>2−</sup>)in the study area. (<b>c</b>) Ratio relationship between Ca<sup>2+</sup> and SO<sub>4</sub><sup>2−</sup> in the study area. (<b>d</b>) Ratio relationship between (SO<sub>4</sub><sup>2−</sup> + Cl<sup>−</sup>) and HCO<sub>3</sub><sup>−</sup> in the study area.</p>
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<p>(<b>a</b>) elationship between Sodium Adsorption Ratio (SAR) and Total Hardness (TH) in Different Geomorphological Zones. (<b>b</b>) Spatial Distribution of Chloro-Alkali Index in the Study Area.</p>
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<p>SAR Division Map of the Study Area.</p>
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