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13 pages, 918 KiB  
Article
Color, Structure, and Thermal Stability of Alginate Films with Raspberry and/or Black Currant Seed Oils
by Jolanta Kowalonek, Bogna Łukomska and Aleksandra Szydłowska-Czerniak
Molecules 2025, 30(2), 245; https://doi.org/10.3390/molecules30020245 (registering DOI) - 9 Jan 2025
Abstract
In this study, biodegradable and active films based on sodium alginate incorporated with different concentrations of oils (25% and 50%) from fruit seeds were developed for potential applications in food packaging. The ultraviolet and visible (UV-VIS) spectra of raspberry seed oil (RSO) and [...] Read more.
In this study, biodegradable and active films based on sodium alginate incorporated with different concentrations of oils (25% and 50%) from fruit seeds were developed for potential applications in food packaging. The ultraviolet and visible (UV-VIS) spectra of raspberry seed oil (RSO) and black currant seed oil (BCSO) indicated differences in bioactive compounds, such as tocopherols, phenolic compounds, carotenoids, chlorophyll, and oxidative status (amounts of dienes, trienes, and tetraenes) of active components added to alginate films. The study encompassed the color, structure, and thermal stability analysis of sodium alginate films incorporated with RSO and BCSO and their mixtures. The color of alginate films before and after the addition of oils from both fruit seeds was evaluated by measuring color coordinates in the CIELab color space: L* (lightness), a* (red-green), and b* (yellow-blue). The lightness values ranged between 94.21 and 95.08, and the redness values varied from −2.20 to −2.65, slightly decreasing for the films enriched with oils. In contrast, yellowness values ranged between 2.93 and 5.80 for the obtained active materials, significantly increasing compared to the control alginate film (L* = 95.48, a* = −1.92, and b* = −0.14). Changes in the structure and morphology of the alginate films after incorporating bioactive-rich oils were observed using scanning electron microscopy (SEM). Films with RSO and oil mixtures had more developed surfaces than films with BCSO. Moreover, the cross-sections of the films with RSO showed holes evenly distributed inside the films, indicating traces of volatile compounds. Thermal decomposition of the alginate films loaded with oils showed five separate stages (to 125 °C, 125–300 °C, 310–410 °C, 410–510 °C, and 750–1000 °C, respectively) related to the oil and surfactant decomposition. The shape of the thermogravimetric curves did not depend on the oil type. The added oils reduced the efficiency of alginate decomposition in the first stage. The obtained results showed that new functional and thermally stable food packaging films based on sodium alginate with a visual appearance acceptable to consumers could be produced by utilizing oils from fruit seed residues. Full article
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<p>UV-VIS spectra of raspberry seed oil (RSO) (red dashed line) and black currant seed oil (BCSO) (black solid line) diluted in <span class="html-italic">n</span>-hexane in different UV-VIS ranges; dilution of oil in <span class="html-italic">n</span>-hexane (<b>a</b>) 1:500; (<b>b</b>) 1:50; (<b>c</b>) 1:10; (<b>d</b>) 1:1.</p>
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<p>SEM images of the surfaces (<b>top</b>) and fractures (<b>bottom</b>) of the sodium alginate films with the studied oils; Viewed at a magnification of 2500×: (<b>a</b>) Alg+G; (<b>b</b>) Alg+G+RSO (25%); (<b>c</b>) Alg+G+RSO (50%); (<b>d</b>) Alg+G+BCSO (25%); (<b>e</b>) Alg+G+BCSO (50%); (<b>f</b>) Alg+G+(RSO+BCSO) (25%); (<b>g</b>) Alg+G+(RSO+BCSO) (50%).</p>
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<p>Thermogravimetric thermograms and the first derivative of mass change of control sodium alginate film with glycerol (Alg+G) before and after 25% and 50% additions of (<b>a</b>) raspberry seed oil (RSO), (<b>b</b>) black currant seed oil (BCSO), and (<b>c</b>) mixtures of raspberry seed oil and black currant seed oil (RSO+BCSO).</p>
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20 pages, 1096 KiB  
Article
Detection of Sealing Surface of Electric Vehicle Electronic Water Pump Housings Based on Lightweight YOLOv8n
by Li Sun, Yi Shen, Jie Li, Weiyu Jiang, Xiang Bian and Mingxin Yuan
Electronics 2025, 14(2), 258; https://doi.org/10.3390/electronics14020258 (registering DOI) - 9 Jan 2025
Abstract
Due to the characteristics of large size differences and shape variations in the sealing surface of electric vehicle electronic water pump housings, and the shortcomings of traditional YOLO defect detection models such as large volume and low accuracy, a lightweight defect detection algorithm [...] Read more.
Due to the characteristics of large size differences and shape variations in the sealing surface of electric vehicle electronic water pump housings, and the shortcomings of traditional YOLO defect detection models such as large volume and low accuracy, a lightweight defect detection algorithm based on YOLOv8n (You Only Look Once version 8n) is proposed for the sealing surface of electric vehicle electronic water pump housings. First, on the basis of introducing the MoblieNetv3 module, the YOLOv8n network structure is redesigned, which not only achieves network lightweighting but also improves the detection accuracy of the model. Then, DualConv (Dual Convolutional) convolution is introduced and the CMPDual (Cross Max Pooling Dual) module is designed to further optimize the detection model, which reduces redundant parameters and computational complexity of the model. Finally, in response to the characteristics of large size differences and shape variations in sealing surface defects, the Inner-WIoU (Inner-Wise-IoU) loss function is used instead of the CIoU (Complete-IoU) loss function in YOLOv8n, which improves the positioning accuracy of the defect area bounding box and further enhances the detection accuracy of the model. The ablation experiment based on the dataset constructed in this paper shows that compared with the YOLOv8n model, the weight of the proposed model is reduced by 61.9%, the computational complexity is reduced by 58.0%, the detection accuracy is improved by 9.4%, and the [email protected] is improved by 6.9%. The comparison of detection results from different models shows that the proposed model has an average improvement of 6.9% in detection accuracy and an average improvement of 8.6% on [email protected], which indicates that the proposed detection model effectively improves defect detection accuracy while ensuring model lightweighting. Full article
14 pages, 2127 KiB  
Article
Boosting Hydrogen Evolution via Phase Engineering-Modulated Crystallinity of Ruthenium–Zinc Bimetallic MOFs
by Jia Wang, De Wang, Tianci Huang, Zhenyu He, Yong Cui and Junsheng Li
Catalysts 2025, 15(1), 58; https://doi.org/10.3390/catal15010058 (registering DOI) - 9 Jan 2025
Abstract
The systematic design of ruthenium-based electrocatalysts for the hydrogen evolution reaction (HER) is crucial for sustainable hydrogen production via electrocatalytic water splitting in an alkaline medium. However, the mismatch between water dissociation and hydrogen adsorption kinetics limits its HER activity. Herein, we present [...] Read more.
The systematic design of ruthenium-based electrocatalysts for the hydrogen evolution reaction (HER) is crucial for sustainable hydrogen production via electrocatalytic water splitting in an alkaline medium. However, the mismatch between water dissociation and hydrogen adsorption kinetics limits its HER activity. Herein, we present a phase engineering-modulated strategy to develop an ultrasmall ZnRu bimetallic metal–organic framework electrocatalyst (ZnRu30-ZIF) for catalyzing alkaline HER. Experimental results and density functional theory calculations indicate that the incorporation of Ru atoms modifies the crystal structure of the ZIF-8 phase, resulting in enlarged facet spacing and smaller nanocrystals (45 ± 3 nm). This optimization of the crystal structure regulates the electronic properties of the ZnRu30-ZIF, forming a higher d-band center (−5.91 eV), which reduces the water dissociation energy (0.19 eV) and facilitates hydrogen desorption (ΔGH* = 1.09 eV). The prepared ZnRu30-ZIF exhibits a low overpotential of 48 mV at 10 mA cm−2 and an excellent mass activity of 2.9 A mgRu−1 at 0.1 V (vs. RHE). This work establishes a phase-engineering strategy for the preparation of high-performance Ru-based MOF electrocatalysts for HER. Full article
(This article belongs to the Special Issue Novel Nanocatalysts for Sustainable and Green Chemistry)
15 pages, 1512 KiB  
Article
Mechanical and Thermal Properties and Moisture Sorption of Puffed Cereals Made from Brown Rice, Barley, Adlay, and Amaranth
by Atsuko Takahashi and Keiko Fujii
Foods 2025, 14(2), 189; https://doi.org/10.3390/foods14020189 - 9 Jan 2025
Abstract
The moisture sorption, rheological, and glass transition properties of puffed cereals, such as brown rice, barley, adlay, and amaranth, were assessed. The puffed cereals were stored in desiccators until their moisture content reached equilibrium. Moisture sorption isotherms were measured, and monomolecular adsorption moisture [...] Read more.
The moisture sorption, rheological, and glass transition properties of puffed cereals, such as brown rice, barley, adlay, and amaranth, were assessed. The puffed cereals were stored in desiccators until their moisture content reached equilibrium. Moisture sorption isotherms were measured, and monomolecular adsorption moisture content was calculated through Brunauer−Emmett−Teller (BET) analysis. The glass transition temperature (Tg) was determined, and the internal structure was observed using a scanning electron microscope. The rupture force and apparent elastic modulus of puffed cereals decreased with increasing relative humidity (RH). The puffed cereals exhibited ductile fracture ,when the moisture content was >8%. The Tg of puffed cereals with 8% moisture content was approximately 40 °C. It was inferred that puffed cereals demonstrated a crispy texture in the glassy state when stored at <40 °C, but transitioned to a rubbery state at >40 °C, resulting in the loss of crispy texture. Full article
14 pages, 3920 KiB  
Article
Early Strength Enhancement Mechanism of CaO-Modified Electrolytic Manganese Residue-Based Supersulfate Cement
by Yundan Du, Qing Chen, Fufei Wu, Weiwei Li, Luxian Meng and Yang Liu
Materials 2025, 18(2), 270; https://doi.org/10.3390/ma18020270 - 9 Jan 2025
Abstract
Electrolytic manganese residue (EMR) is a solid waste generated during the production of electrolytic manganese metal through wet metallurgy, accumulating in large quantities and causing significant environment pollution. Due to its high sulfate content, EMR can be utilized to prepare supersulfate cement when [...] Read more.
Electrolytic manganese residue (EMR) is a solid waste generated during the production of electrolytic manganese metal through wet metallurgy, accumulating in large quantities and causing significant environment pollution. Due to its high sulfate content, EMR can be utilized to prepare supersulfate cement when combined with Ground Granulated Blast furnace Slag (GGBS). In this process, GGBS serves as the primary raw material, EMR acts as the sulfate activator, and CaO powder, along with trace amounts of cement, functions as the alkali activator. This results in the preparation of CaO-modified electrolytic manganese residue-based supersulfate cement (Abbreviated as “SSC”), facilitating the harmless and resourceful utilization of EMR. This study aims to determine the optimal dosage of CaO as the alkali activator for GGBS in SSC. A comprehensive analysis was conducted on four groups, including a control group. The mass ratio of EMR, GGBS, and cement in SSC was fixed as 35:60:5, and the optimum mixing ratio of lime powder as an external admixture was investigated through mechanical tests and microscopic experiments. The hydration products and mechanism of the cementitious materials were analyzed using X-ray diffraction (XRD), pH measurements, thermogravimetric and differential thermogravimetric analysis (TG-DTG), mercury intrusion porosimetry (MIP), and scanning electron microscopy (SEM). The results indicated that, under the combined influence of trace cement and raw lime powder, EMR effectively activated GGBS. The primary hydration products of the SSC are AFt and hydrated calcium silicate (C-S-H), which contributed to the mechanical strength of the SSC. At a hydration age of 3 days, the optimal CaO blending ratio was found to be 8% by mass of dried EMR. With this ratio, the compressive strength of SSC reached 18.2 MPa, the pore size of hardened slurry was refined, the structure became dense, and hydration products increased. It could be concluded that CaO enhances the early strength of SSC when used as an alkali activator. Full article
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<p>XRD patterns of EMR.</p>
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<p>Flowchart of SSC sample preparations and experiments in the D series.</p>
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<p>XRD pattern of CaO + EMR.</p>
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<p>TG-DTG curves of CaO + EMR.</p>
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<p>Compressive strength of SSC.</p>
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<p>Linear fit of compressive strength and pH value.</p>
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<p>Differential curves of pore size distribution at 3 d.</p>
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<p>Stacked histograms of pore size distribution at 3 d.</p>
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<p>Distribution percentage stacked histograms of pore size distribution at 3 d.</p>
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<p>SEM images of SSC paste hardener at 3 d.</p>
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21 pages, 3250 KiB  
Article
Characterization of Benitaka Grape Pomace (Vitis vinifera L.): An Analysis of Its Properties for Future Biorefinery Applications
by Luiz Eduardo Nochi Castro, Tiago Linhares Cruz Tabosa Barroso, Vanessa Cosme Ferreira and Tânia Forster Carneiro
Waste 2025, 3(1), 4; https://doi.org/10.3390/waste3010004 - 9 Jan 2025
Abstract
This study investigates the properties of Benitaka grape pomace (Vitis vinifera L.), a byproduct of the wine industry, focusing on its potential for applications in the circular economy and biorefinery processes. The analysis covers a range of physical, chemical, and structural characteristics, [...] Read more.
This study investigates the properties of Benitaka grape pomace (Vitis vinifera L.), a byproduct of the wine industry, focusing on its potential for applications in the circular economy and biorefinery processes. The analysis covers a range of physical, chemical, and structural characteristics, including the composition of proteins, moisture, lipids, ash, sugars, fiber fractions (such as neutral-detergent fiber, cellulose, lignin, and hemicellulose), pH, acidity, gross energy, as well as bioactive compounds such as total phenolics, flavonoids, anthocyanins, and antioxidant capacity. Advanced characterization techniques, such as nitrogen adsorption/desorption isotherms, Fourier-transform infrared spectroscopy, differential scanning calorimetry, scanning electron microscopy, and high-performance liquid chromatography coupled with mass spectrometry, were employed. The results revealed an acidic pH of 4.05 and a titratable acidity of 1.25 g of tartaric acid per 100 g. The gross energy was 3764 kcal kg−1, indicating high energy capacity, similar to wood chips. The pomace exhibited high hygroscopicity (31 to 50 g of moisture per 100 g), high levels of fiber, cellulose, and lignin, as well as bioactive compounds with significant values of total phenolics (5956.56 mg GAE 100 g−1), flavonoids (1958.33 mg CAT 100 g−1), and anthocyanins (66.92 mg C3G 100 g−1). Antioxidant analysis showed promising results, with DPPH and FRAP values of 20.12 and 16.85 μmol TEAC g−1 of extract, respectively. This study not only validates existing data but also provides new insights into the composition of hemicellulose and lignocellulosic phase transitions, highlighting grape pomace as a promising resource for sustainability in industry and biorefinery processes. Full article
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<p>Benitaka’s grape pomace visual appearance.</p>
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<p>Thermal characterization of Benitaka’s grape pomace: (<b>a</b>) TGA and (<b>b</b>) DSC.</p>
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<p>SEM images of Benitaka’s grape pomace: (<b>a</b>) 1000× magnification and (<b>b</b>) 10,000× magnification.</p>
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<p>Infrared spectrum of Benitaka’s grape pomace.</p>
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<p>Benitaka’s grape pomace surface characterization: (<b>a</b>) N<sub>2</sub> isotherm and (<b>b</b>) pore diameter distribution.</p>
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16 pages, 3743 KiB  
Article
An Approach of Manufacturing High-Molecular-Weight CNT-Filled Epoxy Composite
by Florence Acha, Talya Scheff, Nathalia Diaz Armas, Joey Mead, Stephen Johnston and Jinde Zhang
Materials 2025, 18(2), 264; https://doi.org/10.3390/ma18020264 - 9 Jan 2025
Viewed by 69
Abstract
Epoxy nanocomposites are widely used in various applications because of their excellent properties. Different types of manufacturing techniques are used to produce epoxy composites based on various fillers, molecular weight, and applications required. The physical properties and chemical structure of epoxy resin help [...] Read more.
Epoxy nanocomposites are widely used in various applications because of their excellent properties. Different types of manufacturing techniques are used to produce epoxy composites based on various fillers, molecular weight, and applications required. The physical properties and chemical structure of epoxy resin help in determining the method for its manufacturing. Coatings and adhesive formulations are prepared using high- molecular-weight epoxies, whereas epoxy nanocomposites require low-molecular-weight epoxies due to ease of manufacturing. A low-molecular-weight epoxy can provide high crosslink density to the epoxy but may also cause inherent brittleness in epoxy nanocomposites. Further, the addition of CNTs may also cause more brittleness in the final product. In this work, the authors have developed a method to process composites based on high-molecular-weight epoxy reinforced with high loading of CNTs (15 wt.%). The high molecular weight will bring lots of challenges during manufacturing. In this paper, a novel manufacturing technique based on separate molding and curing conditions to produce highly concentrated CNT-filled epoxy with high-molecular-weight epoxy resin is described, achieving excellent mechanical properties, good toughness, and high electrical conductivity in an efficient, low-cost, environmentally friendly, and high-volume way. The findings demonstrated improvements in these mechanical properties compared to conventional systems. They also highlight the potential of the novel method to develop advanced composite materials which can revolutionize industrial sectors such as aerospace, automotives, and electronics where structural integrity and thermal stability are important. Full article
(This article belongs to the Special Issue Advanced Polymer Matrix Nanocomposite Materials (2nd Edition))
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<p>Capillary rheology testing on molding compound at 200 °C.</p>
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<p>Parallel plate rheology testing on molding compound at 200 °C.</p>
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<p>Tg test via parallel rheometer on CNT−filled epoxy without hardener.</p>
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<p>TGA test on CNT−filled epoxy without hardener.</p>
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<p>Dependence of Storage Modulus G′ and Loss Modulus G″ on Time at 200 °C (<b>A</b>), 250 °C (<b>B</b>), and 300 °C (<b>C</b>).</p>
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<p>Dependence of loss tangent on Time at 200 °C (<b>A</b>), 250 °C (<b>B</b>), and 300 °C (<b>C</b>) measured at angular frequency of 1 Hz.</p>
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<p>Cure process at 120 °C for one week.</p>
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<p>TGA testing on samples cured at 120 °C.</p>
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<p>Dynamic scanning cure of CNT-filled epoxy at 5 °C/min (<b>A</b>), 10 °C/min (<b>B</b>), and 20 °C/min (<b>C</b>).</p>
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<p>Ramped/stepped cure procedure.</p>
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<p>TGA testing on samples after stepped cure.</p>
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38 pages, 23114 KiB  
Review
Mathematical Modeling of Properties and Structures of Crystals: From Quantum Approach to Machine Learning
by Grzegorz Matyszczak, Christopher Jasiak, Gabriela Rusinkiewicz, Kinga Domian, Michał Brzozowski and Krzysztof Krawczyk
Crystals 2025, 15(1), 61; https://doi.org/10.3390/cryst15010061 - 9 Jan 2025
Viewed by 98
Abstract
The crystalline state of matter serves as a reference point in the context of studies of properties of a variety of chemical compounds. This is due to the fact that prepared crystalline solids of practically useful materials (inorganic or organic) may be utilized [...] Read more.
The crystalline state of matter serves as a reference point in the context of studies of properties of a variety of chemical compounds. This is due to the fact that prepared crystalline solids of practically useful materials (inorganic or organic) may be utilized for the thorough characterization of important properties such as (among others) energy bandgap, light absorption, thermal and electric conductivity, and magnetic properties. For that reason it is important to develop mathematical descriptions (models) of properties and structures of crystals. They may be used for the interpretation of experimental data and, as well, for predictions of properties of novel, unknown compounds (i.e., the design of novel compounds for practical applications such as photovoltaics, catalysis, electronic devices, etc.). The aim of this article is to review the most important mathematical models of crystal structures and properties that vary, among others, from quantum models (e.g., density functional theory, DFT), through models of discrete mathematics (e.g., cellular automata, CA), to machine learning (e.g., artificial neural networks, ANNs). Full article
(This article belongs to the Special Issue Crystallization Process and Simulation Calculation, Third Edition)
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<p>(<b>A</b>) Crystal structures of some of the phases in the Co-Al system: (<b>a</b>) Al<sub>9</sub>Co<sub>2</sub> (space group: <span class="html-italic">P2<sub>1</sub>/c</span>), (<b>b</b>) Al<sub>13</sub>Co<sub>4</sub> (space group: <span class="html-italic">Pmn2<sub>1</sub></span>), (<b>c</b>) Al<sub>3</sub>Co (space group: <span class="html-italic">C2/m</span>), and (<b>d</b>) Al<sub>5</sub>Co<sub>2</sub> (space group: <span class="html-italic">P6<sub>3</sub>/mmc</span>). (<b>B</b>) A comparison of the experimental Co-Al phase diagram (dashed black lines) with the one calculated using DFT (red lines). Reproduced from ref. [<a href="#B15-crystals-15-00061" class="html-bibr">15</a>] under the Creative Commons license.</p>
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<p>(<b>A</b>) A phase diagram of platinum obtained using the Z methodology: fcc–Pt melting curve (green line), liquid Pt solidified into solid fcc (green bullets), 9R-Pt melting curve (blue line), liquid Pt solidified into solid 9R (blue bullets), and the fcc–9R solid–solid phase boundary (violet). (<b>B</b>) A phase diagram of tantalum obtained from the Z methodology: bcc–Ta melting curve (green), Pnma–Ta melting curve (blue), and the bcc–Pnma solid–solid phase boundary (red). Reproduced from ref. [<a href="#B20-crystals-15-00061" class="html-bibr">20</a>] under the Creative Commons license.</p>
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<p>(<b>a</b>) The calculated crystal structure of K<sub>2</sub>SiF<sub>6</sub> (violet—K, blue—Si, and grey—F). (<b>b</b>) The dependence of the bandgap value of K<sub>2</sub>SiF<sub>6</sub> on the external pressure. Reproduced from ref. [<a href="#B22-crystals-15-00061" class="html-bibr">22</a>] under the Creative Commons license.</p>
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<p>Structures with CHA framework: (<b>a</b>) chabazite, (<b>b</b>) CHA, and (<b>c</b>) AlPO<sub>4</sub>-34. Red balls indicate O atoms, blue indicate N atoms, cyan indicate Al atoms, and purple indicate P atoms. Reproduced from ref. [<a href="#B24-crystals-15-00061" class="html-bibr">24</a>] under the Creative Commons license.</p>
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<p>E–V fitting for all-silica chabazite based on following sets of pseudopotentials: (<b>a</b>) PBE_mGGA, (<b>b</b>) PBE_GW and PAW_PBE, (<b>c</b>) PAW_GGA, (<b>d</b>) LDA_PP, (<b>e</b>) USPP_GGA, and (<b>f</b>) USPP_LDA. Reproduced from ref. [<a href="#B24-crystals-15-00061" class="html-bibr">24</a>] under the Creative Commons license.</p>
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<p>Comparison of calculated and experimental: (<b>a</b>) XRD pattern and (<b>b</b>) IR spectra. Reproduced from ref. [<a href="#B34-crystals-15-00061" class="html-bibr">34</a>] under the Creative Commons license.</p>
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<p>A collection of views (along the b-axis) of crystal structures of three polymorphs of Cu<sub>3</sub>VSe<sub>4</sub> predicted by the USPEX algorithm. Reproduced from ref. [<a href="#B36-crystals-15-00061" class="html-bibr">36</a>] under the Creative Commons license.</p>
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<p>A collection of views (along the c-axis) of predicted (by the USPEX algorithm) Cu<sub>4</sub>TiSe<sub>4</sub> crystal structures and the experimental disordered structure. Reproduced from ref. [<a href="#B38-crystals-15-00061" class="html-bibr">38</a>] under the Creative Commons license.</p>
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<p>The initial state of the model. (<b>a</b>) Molecular simulation model of nanoindentation for three types of SiC single crystals: (<b>b</b>) 3C-SiC, (<b>c</b>) 4H-SiC, and (<b>d</b>) 6H-SiC. Reproduced from ref. [<a href="#B48-crystals-15-00061" class="html-bibr">48</a>] under the Creative Commons license.</p>
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<p>A cross-sectional view of nanoindentation for three types of SiC single crystals at completed loading and completed unloading: (<b>a</b>) (100) plane in 3C-SiC, (<b>b</b>) (1-210) plane in 4H-SiC, and (<b>c</b>) (1-210) plane in 6H-SiC. Reproduced from ref. [<a href="#B48-crystals-15-00061" class="html-bibr">48</a>] under the Creative Commons license.</p>
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<p>Growing crystalline particles (<b>a</b>) of BCC Fe at 900 K (blue) and FCC Cu (green) at 850 K (<b>b</b>). HCP stacking faults are shown in red. Reproduced from ref. [<a href="#B49-crystals-15-00061" class="html-bibr">49</a>] under the Creative Commons license.</p>
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<p>(<b>a</b>): Atomic fluctuations for each amino acid residue, emphasizing the larger fluctuations in the disordered regions (D1 and D2) and the GATase domain compared to the ATPPase and dimerization domains. (<b>b</b>–<b>f</b>): The domain-specific fluctuations when various domains or subunits were fixed, confirming that the GATase domain moves more independently than the others. Reproduced from ref. [<a href="#B52-crystals-15-00061" class="html-bibr">52</a>] under the Creative Commons license.</p>
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<p>(<b>a</b>) A visualization of PSII water channels (O1, O4, and Cl1) with marked crystallographic water positions (blue) and nearby amino acids. (<b>b</b>) Histogram showing the distance between crystallographic waters and their nearest MD-predicted water positions, highlighting high agreement within ~1 Å. (<b>c</b>) Correlation between MD-predicted electron density heights and experimental values, demonstrating consistency with higher density in structured regions. (<b>d</b>,<b>e</b>) Electron density maps for selected water clusters near the catalytic center, with higher density peaks indicating ordered water structures in channel regions. Reproduced from ref. [<a href="#B53-crystals-15-00061" class="html-bibr">53</a>] under the Creative Commons license.</p>
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<p>Histogram comparing the distribution of the peak height of simulated waters inside the three channels of interest (O1, Cl, and O4) vs. outside the channels. Reproduced from ref. [<a href="#B53-crystals-15-00061" class="html-bibr">53</a>] under the Creative Commons license.</p>
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<p>Weight-averaged stem length (d) in the crystalline state formed by supercooling at T<sub>q</sub> = 418, 412.5, and 385 K for different volume fractions (ϕ). Reprinted with permission from ref. [<a href="#B43-crystals-15-00061" class="html-bibr">43</a>]. Copyright 2016 American Chemical Society.</p>
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<p>A schematic of the MD cutting model. (<b>a</b>) The modification of the workpiece. (<b>b</b>) The determination of the tool trajectory. (<b>c</b>) The morphology of the modified MD model. Green atoms represent the deformation region in one vibration cycle. Reproduced from ref. [<a href="#B54-crystals-15-00061" class="html-bibr">54</a>] under the Creative Commons license.</p>
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<p>The structure of an AlMg<sub>5</sub> alloy where (<b>a</b>) shows the modeled structure in the final stage of solidification, and (<b>b</b>) shows the actual structure in the die casting. Reproduced from ref. [<a href="#B58-crystals-15-00061" class="html-bibr">58</a>] under the Creative Commons license.</p>
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<p>Solute map at different simulation times using the CA-FE model with preferred growth orientations of 0o with respect to the horizontal direction. Reproduced under permission from ref. [<a href="#B59-crystals-15-00061" class="html-bibr">59</a>].</p>
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<p>(<b>a</b>) Hexagonal grid and (<b>b</b>) transformed hexagonal grid. Reproduced from ref. [<a href="#B55-crystals-15-00061" class="html-bibr">55</a>] under the Creative Commons license. Copyright AIDIC/CET.</p>
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<p>Uranium crystal growth modeled by CA: (<b>a</b>) evolution in time, (<b>b</b>) the influence of initial concentration (C<sub>0</sub>) on crystal growth, and (<b>c</b>) the influence of initial temperature (T<sub>0</sub>) on crystal growth. Reproduced from ref. [<a href="#B55-crystals-15-00061" class="html-bibr">55</a>] under the Creative Commons license. Copyright AIDIC/CET.</p>
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<p>Uranium crystal growth modeled by CA: (<b>a</b>) evolution in time, (<b>b</b>) the influence of initial concentration (C<sub>0</sub>) on crystal growth, and (<b>c</b>) the influence of initial temperature (T<sub>0</sub>) on crystal growth. Reproduced from ref. [<a href="#B55-crystals-15-00061" class="html-bibr">55</a>] under the Creative Commons license. Copyright AIDIC/CET.</p>
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<p>Snowflake growth based on a simulation where N = the number of iterations used for the simulation, and each row has a different set of α from the top, with α set to 0.2, 0.4, and 0.5, to the last row, where α is set to 0.6, and the β parameter is set to zero. Reproduced under permission from ref. [<a href="#B56-crystals-15-00061" class="html-bibr">56</a>].</p>
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<p>The experimental (<b>a</b>,<b>b</b>) and CA (<b>c</b>,<b>d</b>) results for microstructures formed at deformation temperatures of 350 °C (<b>a</b>,<b>c</b>) and 450 °C (<b>b</b>,<b>d</b>); (<b>e</b>) the variation in the recrystallized volume fraction and the mean grain size at temperatures of 350 °C and 450 °C. Reproduced from ref. [<a href="#B61-crystals-15-00061" class="html-bibr">61</a>] under the Creative Commons license.</p>
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<p>The experimental (<b>a</b>,<b>b</b>) and CA (<b>c</b>,<b>d</b>) results for microstructures formed at deformation temperatures of 350 °C (<b>a</b>,<b>c</b>) and 450 °C (<b>b</b>,<b>d</b>); (<b>e</b>) the variation in the recrystallized volume fraction and the mean grain size at temperatures of 350 °C and 450 °C. Reproduced from ref. [<a href="#B61-crystals-15-00061" class="html-bibr">61</a>] under the Creative Commons license.</p>
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<p>The overall scheme of the described CSP method. Reproduced from ref. [<a href="#B71-crystals-15-00061" class="html-bibr">71</a>] under the Creative Commons license.</p>
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<p>A schematic of MolXtalNet. ngc is the number of graph convolution layers in the model. Reproduced from ref. [<a href="#B72-crystals-15-00061" class="html-bibr">72</a>] under the Creative Commons license.</p>
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<p>A schematic of the simulation procedure in LAQA, which is automated in CrySPY. Reproduced from ref. [<a href="#B73-crystals-15-00061" class="html-bibr">73</a>] under the Creative Commons license.</p>
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<p>A schematic of the PIRNN-based process. Reproduced from ref. [<a href="#B75-crystals-15-00061" class="html-bibr">75</a>] under the Creative Commons license.</p>
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<p>A schematic representation of the workflow for computing ab initio, quantum anharmonic Gibbs free energies for candidate crystal structures. Upper section shows the main steps: (1) generating ab initio reference data on which to (2) train a combined MLP, which can then be used to (3) compute MLP Gibbs free energies, which one can finally (4) promote to ab initio Gibbs free energies. Lower section (shaded in blue) details the key aspects of how each of these steps is performed in practice. Reproduced from ref. [<a href="#B77-crystals-15-00061" class="html-bibr">77</a>] under the Creative Commons license.</p>
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24 pages, 31658 KiB  
Article
Cr-Doped Nanocrystalline TiO2-Cr2O3 Nanocomposites with p-p Heterojunction as a Stable Gas-Sensitive Material
by Dmitriy Kuranov, Elizaveta Konstantinova, Anastasia Grebenkina, Alina Sagitova, Vadim Platonov, Sergei Polomoshnov, Marina Rumyantseva and Valeriy Krivetskiy
Int. J. Mol. Sci. 2025, 26(2), 499; https://doi.org/10.3390/ijms26020499 - 9 Jan 2025
Viewed by 114
Abstract
Nanocrystalline TiO2 is a perspective semiconductor gas-sensing material due to its long-term stability of performance, but it is limited in application because of high electrical resistance. In this paper, a gas-sensing nanocomposite material with p-p heterojunction is introduced based on p-conducting Cr-doped [...] Read more.
Nanocrystalline TiO2 is a perspective semiconductor gas-sensing material due to its long-term stability of performance, but it is limited in application because of high electrical resistance. In this paper, a gas-sensing nanocomposite material with p-p heterojunction is introduced based on p-conducting Cr-doped TiO2 in combination with p-conducting Cr2O3. Materials were synthesized via a single-step flame spray pyrolysis (FSP) technique and comprehensively studied by X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) specific surface area analysis, transition electron microscopy (TEM), energy dispersive X-ray (EDX) spectroscopy, X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR), and Raman spectroscopy. Gas sensor performance in direct current (DC) mode was studied toward a number of gasses (H2, CO, CH4, NO2, H2S, NH3) as well as volatile organic compounds (VOCs) (acetone, methanol, and formaldehyde) in dry and humid conditions. The long-term stability of the obtained materials’ gas sensor performance was evaluated alongside with an ex situ study of structural evolution. High sensitivity toward oxygenated VOCs and a lower detection limit below ppm level with a limited influence of humidity were shown. The long-term gas sensor performance stability of the obtained materials and its connection to the defect structure of doped TiO2 is demonstrated. Full article
(This article belongs to the Special Issue Applications of Nanocomposites in Gas Sensors)
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<p>Bright-field TEM images of pure TiO<sub>2</sub>, Cr<sub>2</sub>O<sub>3</sub>, TiO<sub>2</sub>-Cr-20, and TiO<sub>2</sub>-Cr-40 samples.</p>
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<p>Histograms of normal particle distribution for (<b>a</b>) TiO<sub>2</sub>, (<b>b</b>) TiO<sub>2</sub>-Cr-20, and (<b>c</b>) TiO<sub>2</sub>-Cr-40 materials.</p>
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<p>High-resolution TEM (HRTEM) images of (<b>a</b>) TiO<sub>2</sub>, (<b>b</b>) TiO<sub>2</sub>-Cr-40, and (<b>c</b>) TiO<sub>2</sub>-Cr-20 materials. A, R, and B in the white boxes are anatase, rutile, and brookite phases of TiO<sub>2</sub> respectively<sub>,</sub> and E is the eskolaite phase of Cr<sub>2</sub>O<sub>3</sub>, the 3-digit number next to phase designation are the Miller indices, the row above is the interplane distance in Angstroms. Red parallel lines indicate the crystallographic planes.</p>
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<p>IFFT images of TiO<sub>2</sub>-Cr-20 phases. White lines are families of crystallographic planes, yellow frames indicate defects associated with the appearance of an extra half-plane or its absence, and red arrows indicate defects associated with shear as a result of doping. R, B are the rutile and brookite phases of TiO<sub>2,</sub> and E is the eskolaite phase of Cr<sub>2</sub>O<sub>3</sub>, numbers next to phase designations are Miller indices of crystallographic planes.</p>
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<p>EDX map of Ti, Cr, O elements (<b>left</b>), and their content in certain places of yellow-boxed area (<b>right</b>) in TiO<sub>2</sub>-Cr-20 material.</p>
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<p>The X-ray diffraction patterns for TiO<sub>2</sub>-Cr materials.</p>
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<p>(<b>a</b>) R(T) dependence of materials in dry clean air. (<b>b</b>) Resistance transients of Cr-doped TiO<sub>2</sub>-based materials under gas phase composition and temperature changes. (<b>c</b>) Detailed resistance transients of pure TiO<sub>2</sub> and TiO<sub>2</sub>-Cr-10 materials in the same conditions. (<b>d</b>) Detailed resistance transients of pure TiO<sub>2</sub> and lightly Cr-loaded materials in the same conditions.</p>
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<p>The temperature dependencies of the sensor signal of p-TiO<sub>2</sub>-Cr<sub>2</sub>O<sub>3</sub> composites toward VOCs ((<b>a</b>) acetone, (<b>b</b>) methanol, (<b>c</b>) formaldehyde) and (<b>d</b>) hydrogen sulfide compared to the gas sensor responses of pure n-TiO<sub>2</sub> and Cr<sub>2</sub>O<sub>3</sub>. The modulus of sensor response is given for the sake of easier comparison, while all Cr-containing materials behave as p-type semiconductors, and pure TiO<sub>2</sub> shows n-type behavior.</p>
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<p>Schematic electronic band diagram of p-p heterojunction during the gas-sensing process.</p>
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<p>Cross-sensitivity of obtained materials toward gasses of different chemical nature at the operating temperature optimal for VOCs detection in humid conditions. The modulus of sensor response is given for the sake of easier comparison, while all Cr-containing materials behave as p-type semiconductors and pure TiO<sub>2</sub> has shown n-type behavior.</p>
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<p>Concentration dependencies of the sensor signal of TiO<sub>2</sub>-Cr-20 material at different humidity values towards (<b>a</b>) acetone and (<b>b</b>) methanol. The modulus of sensor response is given for the sake of easier comparison, while all Cr-containing materials behave as p-type semiconductors, and pure TiO<sub>2</sub> shows n-type behavior.</p>
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<p>Raman spectra for TiO<sub>2</sub>, TiO<sub>2</sub>-Cr-10, TiO<sub>2</sub>-Cr-20, and TiO<sub>2</sub>-Cr-40 materials.</p>
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<p>(<b>a</b>) Survey and detailed XPS spectra in the energy ranges of (<b>b</b>) Ti 2p, (<b>c</b>) Cr 2p and (<b>d</b>) O 1s signals for TiO<sub>2</sub>, TiO<sub>2</sub>-Cr-10, TiO<sub>2</sub>-Cr-20, and TiO<sub>2</sub>-Cr-40 materials. Dotted lines are given for the sake of clarity of the photoemission spectra energy shifts upon increase of Cr content.</p>
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<p>EPR spectra of (<b>a</b>) TiO<sub>2</sub> and (<b>b</b>) TiO<sub>2</sub>-Cr-2 materials.</p>
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<p>(<b>a</b>,<b>b</b>) Resistance in air and (<b>c</b>) sensor response toward 20 ppm of methanol obtained in the long-term continuous experiment (T = 300 °C, RH = 60%, T<sub>air</sub> = 25 °C). (<b>d</b>) Evolution of TiO<sub>2</sub>-Cr materials during a sensor-testing simulation experiment.</p>
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<p>EPR spectra of as prepared and aged TiO<sub>2</sub>-Cr-2 material according to protocol of long-term gas sensor measurements.</p>
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16 pages, 3572 KiB  
Article
Study on the Effect of CeO2 on the Performance of WC + Ni60 Laser Cladding Coating
by Jingquan Wu, Jianwen Zhang, Dianlong Chen, Jiang Huang, Wenqing Shi, Fenju An and Xianglin Wu
Lubricants 2025, 13(1), 24; https://doi.org/10.3390/lubricants13010024 - 9 Jan 2025
Viewed by 98
Abstract
The aim of this investigation was to examine how CeO2 powder influences the performance of WC + Ni60 composite powder. Various cladding layers of WC + Ni60, incorporating differing mass fractions of CeO2, were created on the surface of Q235 [...] Read more.
The aim of this investigation was to examine how CeO2 powder influences the performance of WC + Ni60 composite powder. Various cladding layers of WC + Ni60, incorporating differing mass fractions of CeO2, were created on the surface of Q235 steel utilizing laser cladding technology. To analyze the microscopic structure of the resulting cladding layer, scanning electron microscopy was employed. Additionally, the abrasion and corrosion resistance properties were assessed through experimentation with a pin-and-disc friction and wear tester and an electrochemical workstation, respectively. The results of the study showed that when the mass fraction of CeO2 was 1%, the grain on the surface of the coating was refined, the carbide formation was reduced, and the uniformity of the cladding layer was the best. In terms of corrosion resistance, the coating with 1% CeO2 had a self-corrosion potential of 0.07 V and a self-corrosion current density of 1.82 × 10−5 A·cm−2, showing the best corrosion resistance, and the coating self-corrosion potential was higher than that of the coating and substrate without CeO2. In terms of abrasion resistance, coatings with 1% CeO2 had a lower coefficient of friction (0.47) and a smaller wear rate 0.034 mm3, and the wear amount was only 23.5% of that of coatings without CeO2, resulting in the best wear resistance. In conclusion, coatings containing 1% CeO2 exhibit the minimal coefficient of friction and the lowest wear rates, while simultaneously providing optimal corrosion resistance. Full article
(This article belongs to the Special Issue Wear-Resistant Coatings and Film Materials)
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<p>Morphology and particle size distribution of mixed powder. (<b>a</b>) Ni60 material morphology, (<b>b</b>) Ni60 material size, (<b>c</b>) WC material morphology, (<b>d</b>) WC material size.</p>
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<p>Interface morphology with different amounts of CeO<sub>2</sub>. (<b>a</b>) Topography of the cross-section without CeO<sub>2</sub> and (<b>b</b>) 1% CeO<sub>2</sub>. (<b>c</b>) Cross-sectional morphology of 2% CeO<sub>2</sub>. (<b>d</b>) Enlarged view at the weld line without CeO<sub>2</sub> addition. (<b>e</b>) Enlarged view at the 1% CeO<sub>2</sub> weld line. (<b>f</b>) Enlarged view at the 2% CeO<sub>2</sub> weld line.</p>
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<p>XRD diffraction spectrum analysis. (<b>a</b>) Diffraction patterns of fused cladding layers with different contents of CeO<sub>2</sub>. (<b>b</b>) The main diffraction peak magnification shows a different amount of CeO<sub>2</sub>.</p>
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<p>Coating EDS scan points with different CeO<sub>2</sub> contents. (<b>a</b>) EDS scanning points without added CeO<sub>2</sub>. (<b>b</b>) EDS scanning points with 1% CeO<sub>2</sub> content. (<b>c</b>) EDS scanning points with 2% CeO<sub>2</sub> content.</p>
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<p>Microstructure with different CeO<sub>2</sub> contents. (<b>a</b>) 2000-fold microstructure without added CeO<sub>2</sub>. (<b>b</b>) 2000-fold microstructure containing 1% CeO<sub>2</sub>. (<b>c</b>) 2000-fold microstructure containing 2% CeO<sub>2</sub>.</p>
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<p>Friction and wear. (<b>a</b>) Coefficient of friction of each coating surface. (<b>b</b>) Wear profile. (<b>c</b>) Amount of wear.</p>
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<p>Scanning electron microscope (SEM) image after wear. (<b>a</b>) Post-wear morphology of fused cladding layer with CeO<sub>2</sub> mass fraction 0. (<b>b</b>) Post-wear morphology of fused cladding layer with CeO<sub>2</sub> mass fraction 1. (<b>c</b>) Fused cladding layer with CeO<sub>2</sub> mass fraction of 2 after abrasion. (<b>d</b>) Localized magnification of the furrows after abrasion of the fused cladding layer with a CeO<sub>2</sub> mass fraction of 0 by a factor of 2000. (<b>e</b>) Localized magnification of the furrows after the abrasion of the fused cladding layer with a CeO<sub>2</sub> mass fraction of 1 by a factor of 2000. (<b>f</b>) Localized magnification of the furrows after the abrasion of the fused cladding layer with a CeO<sub>2</sub> mass fraction of 2 by a factor of 2000.</p>
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<p>Polarization curves of cladding layers with different mass fractions of CeO<sub>2</sub>.</p>
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18 pages, 8759 KiB  
Article
Magnetite Nanoparticles Encapsulated with PBS-PEG for AMF Hyperthermia
by Carlos Augusto Zanoni Souto, Fernando Gomes de Souza Junior, André Romero da Silva and Kaushik Pal
Materials 2025, 18(2), 258; https://doi.org/10.3390/ma18020258 - 9 Jan 2025
Viewed by 106
Abstract
Novel studies on typical synthesized magnetite nanoparticles were encapsulated into a poly (butylene succinate)/poly (ethylene glycol) copolymer (PBS-PEG). PBS was chosen because of its biocompatibility characteristics necessary for biomedical applications. PEG, as part of the macromolecular structure, increases the hybrid system’s solubility in [...] Read more.
Novel studies on typical synthesized magnetite nanoparticles were encapsulated into a poly (butylene succinate)/poly (ethylene glycol) copolymer (PBS-PEG). PBS was chosen because of its biocompatibility characteristics necessary for biomedical applications. PEG, as part of the macromolecular structure, increases the hybrid system’s solubility in an aqueous environment, increasing the circulation time of the material in the bloodstream. The immune system has difficulty recognizing particles with good solubility in an aqueous medium and with a diameter until 200 nm, preventing the body from eliminating the nanoparticles before the magnetic hyperthermia is performed. All the prepared materials were characterized by Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray powder diffraction (XRD), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), dynamic light scattering (DLS), and zeta potential. The detailed investigated result executes the formulation developed in this work, showing it has potential and that further studies and analyses can be carried out so that the formulation can be improved, thus obtaining even better results. Full article
(This article belongs to the Topic Nanomaterials and Polymers in Controlled Drug Delivery)
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<p>XRD spectrum of magnetite.</p>
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<p>FTIR spectrum of magnetite.</p>
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<p>FTIR spectrum of PBS, PEG, and PBS-PEG polymers.</p>
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<p>Structure of the PBS-PEG.</p>
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<p>TGA graph of magnetite nanoparticles.</p>
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<p>TGA graph of PBS, PEG, PBS-PEG polymers, and encapsulated magnetite nanoparticles.</p>
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<p>DSC graph of magnetite nanoparticles.</p>
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<p>DSC graph of PBS, PEG, PBS-PEG polymers, and encapsulated magnetite nanoparticles.</p>
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<p>Size distribution of the magnetite nanoparticles obtained by (DLS).</p>
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<p>Size distribution of the encapsulated magnetite nanoparticles obtained by DLS.</p>
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<p>SEM image of magnetite nanoparticles.</p>
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<p>(<b>A</b>) Graph of the EDS spectroscopy of the magnetite nanoparticles, (<b>B</b>) image obtained in the SEM of the region analyzed by the EDS.</p>
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<p>(<b>A</b>) Image obtained, in the SEM, of the region analyzed by the EDS, (<b>B</b>) graph of the EDS spectroscopy of the encapsulated magnetite nanoparticles.</p>
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<p>Current versus time statistical study of hyperthermia tests for encapsulated magnetite nanoparticles. 2** = Two factors at two levels plus a central point.</p>
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<p>Statistical study predicted values versus observed values of the hyperthermia test for encapsulated magnetite nanoparticles. 2** = Two factors at two levels plus a central point.</p>
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10 pages, 2095 KiB  
Article
Stable Field Emissions from Zirconium Carbide Nanoneedle Electron Source
by Yimeng Wu, Jie Tang, Shuai Tang, You-Hu Chen, Ta-Wei Chiu, Masaki Takeguchi, Ayako Hashimoto and Lu-Chang Qin
Nanomaterials 2025, 15(2), 93; https://doi.org/10.3390/nano15020093 - 9 Jan 2025
Viewed by 137
Abstract
In this study, a single zirconium carbide (ZrC) nanoneedle structure oriented in the <100> direction was fabricated by a dual-beam focused ion beam (FIB-SEM) system, and its field emission characteristics and emission current stability were evaluated. Benefiting from controlled fabrication with real-time observation, [...] Read more.
In this study, a single zirconium carbide (ZrC) nanoneedle structure oriented in the <100> direction was fabricated by a dual-beam focused ion beam (FIB-SEM) system, and its field emission characteristics and emission current stability were evaluated. Benefiting from controlled fabrication with real-time observation, the ZrC nanoneedle has a smooth surface and a tip with a radius of curvature smaller than 20 nm and a length greater than 2 μm. Due to its low work function and well-controlled morphology, the ZrC nanoneedle emitter, positioned in a high-vacuum chamber, was able to generate a single and collimated electron beam with a current of 1.2 nA at a turn-on voltage of 210 V, and the current increased to 100 nA when the applied voltage reached 325 V. After the treatment of the nanoneedle tip, the field emission exhibited a stable emission for 150 min with a fluctuation of 1.4% and an emission current density as high as 1.4 × 1010 A m−2. This work presents an efficient and controllable method for fabricating nanostructures, and this method is applicable to the transition metal compound ZrC as a field emission emitter, demonstrating its potential as an electron source for electron-beam devices. Full article
(This article belongs to the Section Synthesis, Interfaces and Nanostructures)
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<p>Schematic of (<b>a</b>) the fabrication process of ZrC nanoneedles using the FIB-SEM system. (<b>b</b>) The experimental setup for the field emission test.</p>
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<p>(<b>a</b>) Schematic of the ZrC nanoneedle field emission electron source with hairpin structure. (<b>b</b>) SEM image of ZrC nanoneedle during the process of Ga-ion milling. (<b>c</b>) SEM image of ZrC nanoneedle after fabrication was completed. (<b>d</b>) TEM image and electron diffraction pattern (inset) of the sharpened ZrC nanoneedle tip. (<b>e</b>) High-resolution TEM image near the surface region.</p>
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<p>Field emission characteristics of the ZrC nanoneedle emitter. (<b>a</b>) I-V curve of field emissions and (<b>b</b>) its corresponding F-N plot. (<b>c</b>) FEM pattern of the ZrC nanoneedle with a single emission spot in the axial direction. (<b>d</b>) Field emission intensity following a Gaussian distribution with FWHM of 7.1 mm.</p>
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<p>The 30 min field emission stability before (red line) and after (black line) the ZrC nanoneedle emitter stabilized under emission currents of (<b>a</b>) 3 nA, (<b>b</b>) 10 nA, and (<b>c</b>) 50 nA with fluctuations of 0.30%, 0.31%, and 0.60%, respectively. (<b>d</b>) Long-term stability with a fluctuation of 1.41% after 2.5 h of measurement.</p>
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18 pages, 3112 KiB  
Article
Microencapsulation of Deer Oil in Soy Protein Isolate–Chitosan Complex Coacervate—Preparation, Characterization, and Simulated Digestion
by Hongyan Li, Ying Zong, Weijia Chen, Yan Zhao, Jianan Geng, Zhongmei He and Rui Du
Foods 2025, 14(2), 181; https://doi.org/10.3390/foods14020181 - 9 Jan 2025
Viewed by 214
Abstract
Deer oil (DO) is a potentially beneficial functional oil; however, its sensitivity to environmental factors (e.g., oxygen and heat), difficulty in transport, and unfavorable taste hinder practical use. In this study, DO was encapsulated through the cohesive action of soy protein isolate (SPI) [...] Read more.
Deer oil (DO) is a potentially beneficial functional oil; however, its sensitivity to environmental factors (e.g., oxygen and heat), difficulty in transport, and unfavorable taste hinder practical use. In this study, DO was encapsulated through the cohesive action of soy protein isolate (SPI) and chitosan (CS). The optimal preparation conditions yielded microcapsules with DO’s highest encapsulation efficiency (EE) (85.28 ± 1.308%) at an SPI/CS mixing ratio of 6:1 and a core-to-wall ratio of 1:2 at pH 6. Fluorescence and scanning electron microscopy were utilized to examine the microcapsules’ structure, showing intact surfaces and effective encapsulation of oil droplets through SPI/CS composite coalescence. Through Fourier transform infrared spectroscopy (FTIR), the electrostatic interplay between SPI and CS was verified during the merging process. At room temperature, the microcapsules resisted core oxidation by reducing gas permeation. In vitro simulated digestion results indicated the microcapsules achieved a slow and sustained release of DO in the intestinal tract. This study further expands the application scope of deer oil and promotes the development of deer oil preparations and functional foods. Full article
(This article belongs to the Section Food Physics and (Bio)Chemistry)
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<p>Standard UV curve of deer oil.</p>
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<p>Diagram illustrating the preparation process of deer oil microcapsules.</p>
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<p>GC-MS analysis of deer oil components.</p>
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<p>Optimization of pH and SPI/CS ratio (<span class="html-italic">n</span> = 3). (<b>A</b>) Zeta potential variation in SPI/CS at different pH. (<b>B</b>) SEI variation in SPI/CS at different pH. (<b>C</b>) Yield and turbidity of SPI/CS at different pH and ratios. (<b>D</b>) Yield and turbidity of SPI/CS at different ratios.</p>
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<p>FTIR spectra of SPI, CS, SPI/CS.</p>
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<p>(<b>A</b>) Embedding rate of SPI/CS/DO at different wall concentrations. (<b>B</b>) Embedding rate of SPI/CS/DO at different core-to-wall ratios.</p>
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<p>FTIR spectra of SPI/CS, SPI/CS/DO, DO.</p>
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<p>(<b>A</b>) CLSM images showing the oil phase (highlighted in yellow) and SPI/CS (highlighted in red), with the scale bar set to 1 μm. (<b>B</b>) SEM images of DO-loaded microcapsules, with scale bars of 200 μm and 50 μm shown in the figure.</p>
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<p>DSC spectra of SPI, CS, SPI/CS, DO, SPI/CS/DO.</p>
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<p>Deer oil microcapsules particle size distribution.</p>
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<p>Oxidative stability of encapsulated and unencapsulated cores during storage. * <span class="html-italic">p</span> &lt; 0.05, ** <span class="html-italic">p</span> &lt; 0.01, *** <span class="html-italic">p</span> &lt; 0.001, Control and Microcapsules groups compared with their respective initial; # <span class="html-italic">p</span> &lt; 0.05, ## <span class="html-italic">p</span> &lt; 0.01, ### <span class="html-italic">p</span> &lt; 0.001, Microcapsules group compared with Control group.</p>
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<p>Simulates the cumulative release of DO from microcapsules during digestion.</p>
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12 pages, 4618 KiB  
Article
Optimization of CuOx/Ga2O3 Heterojunction Diodes for High-Voltage Power Electronics
by Xiaohui Wang, Mujun Li, Minghao He, Honghao Lu, Chun-Zhang Chen, Yang Jiang, Kangyao Wen, Fangzhou Du, Yi Zhang, Chenkai Deng, Zilong Xiong, Haozhe Yu, Qing Wang and Hongyu Yu
Nanomaterials 2025, 15(2), 87; https://doi.org/10.3390/nano15020087 - 8 Jan 2025
Viewed by 283
Abstract
This study optimizes the CuOx/Ga2O3 heterojunction diodes (HJDs) by tailoring the structural parameters of CuOx layers. The hole concentration in the sputtered CuOx was precisely controlled by adjusting the Ar/O2 gas ratio. Experimental investigations and [...] Read more.
This study optimizes the CuOx/Ga2O3 heterojunction diodes (HJDs) by tailoring the structural parameters of CuOx layers. The hole concentration in the sputtered CuOx was precisely controlled by adjusting the Ar/O2 gas ratio. Experimental investigations and TCAD simulations were employed to systematically evaluate the impact of the CuOx layer dimension and hole concentration on the electrical performance of HJDs. The results indicate that increasing the diameter dimension of the CuOx layer or tuning the hole concentration to optimal values significantly enhances the breakdown voltage (VB) of single-layer HJDs by mitigating the electric field crowing effects. Additionally, a double-layer CuOx structure (p+ CuOx/p CuOx) was designed and optimized to achieve an ideal balance between the VB and specific on-resistance (Ron,sp). This double-layer HJD demonstrated a high VB of 2780 V and a low Ron,sp of 6.46 mΩ·cm2, further yielding a power figure of merit of 1.2 GW/cm2. These findings present a promising strategy for advancing the performance of Ga2O3 devices in power electronics applications. Full article
(This article belongs to the Special Issue Wide Bandgap Semiconductor Material, Device and System Integration)
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<p>AFM images of (<b>a</b>) bare sapphire, (<b>b</b>) 50 sccm Ar CuO<sub>x</sub> film, (<b>c</b>) 50 sccm Ar and 1 sccm O<sub>2</sub> CuO<sub>x</sub> film, (<b>d</b>) 50 sccm Ar and 2 sccm O<sub>2</sub> CuO<sub>x</sub> film, (<b>e</b>) 50 sccm Ar and 3 sccm O<sub>2</sub> CuO<sub>x</sub> film, and (<b>f</b>) 50 sccm Ar and 4 sccm O<sub>2</sub> CuO<sub>x</sub> film.</p>
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<p>Raman spectra of the samples sputtering under various conditions.</p>
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<p>Cross-sectional schematic of the CuO<sub>x</sub>/Ga<sub>2</sub>O<sub>3</sub> HJDs with a single-layer CuO<sub>x</sub> structure.</p>
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<p>HJDs with a single-layer CuO<sub>x</sub> structure for (<b>a</b>) Linear plots of <span class="html-italic">I–V</span> characteristic and extracted R<sub>on,sp</sub> vs. forward bias. (<b>b</b>) Semi-log plots of <span class="html-italic">I–V</span> characteristic. (<b>c</b>) Reverse <span class="html-italic">I–V</span> characteristic.</p>
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<p>(<b>a</b>–<b>c</b>) Electric field distributions for HJDs with a single-layer p<sup>+</sup> CuO<sub>x</sub> structure. (<b>d</b>–<b>f</b>) Electric field distributions for HJDs with a single-layer p<sup>−</sup> CuO<sub>x</sub> structure.</p>
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<p>(<b>a</b>) Cross-sectional schematic of the CuO<sub>x</sub>/Ga<sub>2</sub>O<sub>3</sub> HJDs with a double-layer CuO<sub>x</sub> structure. (<b>b</b>) Optical image of the double-layer CuO<sub>x</sub>/Ga<sub>2</sub>O<sub>3</sub> HJD. (<b>c</b>) TEM image and EDS analysis of the double-layer CuO<sub>x</sub>/Ga<sub>2</sub>O<sub>3</sub> HJD.</p>
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<p>(<b>a</b>) Linear plots of <span class="html-italic">I–V</span> characteristic and extracted R<sub>on,sp</sub> vs. forward bias. (<b>b</b>) Semi-log plots of <span class="html-italic">I–V</span> characteristic. (<b>c</b>) Breakdown characteristic for HJDs of D<sub>1</sub>–D<sub>5</sub>. (<b>d</b>) Benchmark of R<sub>on,sp</sub> vs. V<sub>B</sub> of state-of-the-art Ga<sub>2</sub>O<sub>3</sub> diodes.</p>
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<p>(<b>a</b>–<b>e</b>) Electric field distribution for HJDs of D<sub>1</sub>–D<sub>5</sub>. (<b>f</b>) Extracted electric field profiles along the cutline at the Ga<sub>2</sub>O<sub>3</sub> surface.</p>
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15 pages, 4043 KiB  
Article
Enhancing the Solubility of Co-Formulated Hydrophobic Drugs by Incorporating Functionalized Nano-Structured Poly Lactic-co-glycolic Acid (nfPLGA) During Co-Precipitation
by Mohammad Saiful Islam and Somenath Mitra
Pharmaceutics 2025, 17(1), 77; https://doi.org/10.3390/pharmaceutics17010077 - 8 Jan 2025
Viewed by 240
Abstract
Background/Objectives: The co-formulation of active pharmaceutical ingredients (APIs) is a growing strategy in biopharmaceutical development, particularly when it comes to improving solubility and bioavailability. This study explores a co-precipitation method to prepare co-formulated crystals of griseofulvin (GF) and dexamethasone (DXM), utilizing nanostructured, [...] Read more.
Background/Objectives: The co-formulation of active pharmaceutical ingredients (APIs) is a growing strategy in biopharmaceutical development, particularly when it comes to improving solubility and bioavailability. This study explores a co-precipitation method to prepare co-formulated crystals of griseofulvin (GF) and dexamethasone (DXM), utilizing nanostructured, functionalized polylactic glycolic acid (nfPLGA) as a solubility enhancer. Methods: An antisolvent precipitation technique was employed to incorporate nfPLGA at a 3% concentration into the co-formulated GF and DXM, referred to as DXM-GF-nfPLGA. The dissolution performance of this formulation was compared to that of the pure drugs and the co-precipitated DXM-GF without nfPLGA. Results: Several characterization techniques, including electron microscopy (SEM), RAMAN, FTIR, TGA, and XRD, were used to analyze the nfPLGA incorporation and the co-precipitated co-formulations. The inclusion of nfPLGA significantly enhanced the dissolution and initial dissolution rate of both GF and DXM in the DXM-GF-nfPLGA formulation, achieving a maximum dissolution of 100%, which was not attained by the pure drugs or the DXM-GF formulation. The incorporation of nfPLGA also reduced the amount of time taken to reach 50% (T50) and 80% (T80) dissolution. T50 values decreased from 52 and 82 min (for pure DXM and GF) to 23 min for DXM-GF-nfPLGA, and the T80 improved to 50 min for DXM-GF-nfPLGA, significantly outpacing the pure compounds. Furthermore, incorporating nfPLGA into the crystal structures greatly accelerated the dissolution rates, with initial rates reaching 650.92 µg/min for DXM-GF-nfPLGA compared to 540.60 µg/min for DXM-GF, while pure GF and DXM showed lower rates. Conclusions: This work demonstrates that nfPLGA incorporation enhances dissolution performance by forming water channels within the API crystal via hydrogen-bonding interactions. This innovative nfPLGA incorporation method holds promise for developing hydrophobic co-formulations with faster solubility and dissolution rates. Full article
(This article belongs to the Special Issue Advanced Polymeric Materials as Therapeutic Agents)
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<p>SEM images of (<b>a</b>) Pure GF, (<b>b</b>) pure DXM, (<b>c</b>) DXM-GF-<span class="html-italic">nf</span>PLGA co-formulation (carbon coated), (<b>d</b>) DXM-GF, and (<b>e</b>) EDS elemental mapping for co-formulation of DXM-GF-<span class="html-italic">nf</span>PLGA.</p>
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<p>SEM images of (<b>a</b>) Pure GF, (<b>b</b>) pure DXM, (<b>c</b>) DXM-GF-<span class="html-italic">nf</span>PLGA co-formulation (carbon coated), (<b>d</b>) DXM-GF, and (<b>e</b>) EDS elemental mapping for co-formulation of DXM-GF-<span class="html-italic">nf</span>PLGA.</p>
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<p>X-ray diffraction (XRD) analysis data for co-formulated drugs’ formulation.</p>
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<p>RAMAN analysis data for co-formulated drugs’ formulation.</p>
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<p>FTIR analysis of co-formulation of drug formulations.</p>
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<p>(<b>a</b>) TGA of the co-formulated drugs to determine the percentage of <span class="html-italic">nf</span>PLGA incorporation and (<b>b</b>) antisolvent crystal GF and DXM % from first-derivative curve analysis.</p>
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<p>DSC analysis of pure compounds and co-formulations.</p>
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<p>(<b>a</b>) Dissolution profile of co-formulated drugs and (<b>b</b>) % of individual drug dissolution profile into the co-formulated drugs.</p>
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