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Search Results (13,425)

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Keywords = optical properties

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8 pages, 1131 KiB  
Communication
Generation of High-Quality Cylindrical Vector Beams from All-Few-Mode Fiber Laser
by Pingping Xiao, Zhen Tang, Fei Wang, Yaqiong Lu and Zuxing Zhang
Photonics 2024, 11(10), 975; https://doi.org/10.3390/photonics11100975 (registering DOI) - 17 Oct 2024
Abstract
Transverse mode control of laser intracavity oscillation is crucial for generating high-purity cylindrical vector beams (CVBs). We utilized the mode conversion and mode selection properties of two-mode long-period fiber gratings (TM-LPFGs) and two-mode fiber Bragg gratings (TM-FBGs) to achieve intracavity hybrid-mode oscillations of [...] Read more.
Transverse mode control of laser intracavity oscillation is crucial for generating high-purity cylindrical vector beams (CVBs). We utilized the mode conversion and mode selection properties of two-mode long-period fiber gratings (TM-LPFGs) and two-mode fiber Bragg gratings (TM-FBGs) to achieve intracavity hybrid-mode oscillations of LP01 and LP11 from an all-few-mode fiber laser. A mode-locked pulse output with a repetition rate of 12.46 MHz and a signal-to-noise ratio of 53 dB was achieved with a semiconductor saturable absorber mirror (SESAM) for mode-locking, at a wavelength of 1550.32 nm. The 30 dB spectrum bandwidth of the mode-locked pulse was 0.13 nm. Furthermore, a high-purity CVB containing radially polarized and azimuthally polarized LP11 modes was generated. The purity of the obtained CVB was greater than 99%. The high-purity CVB pulses have great potential for applications in optical tweezers, high-speed mode-division multiplexing communication, and more. Full article
(This article belongs to the Special Issue Single Frequency Fiber Lasers and Their Applications)
45 pages, 6470 KiB  
Review
Polymer-Based Optical Guided-Wave Biomedical Sensing: From Principles to Applications
by Malhar A. Nagar and Davide Janner
Photonics 2024, 11(10), 972; https://doi.org/10.3390/photonics11100972 - 17 Oct 2024
Abstract
Polymer-based optical sensors represent a transformative advancement in biomedical diagnostics and monitoring due to their unique properties of flexibility, biocompatibility, and selective responsiveness. This review provides a comprehensive overview of polymer-based optical sensors, covering the fundamental operational principles, key insights of various polymer-based [...] Read more.
Polymer-based optical sensors represent a transformative advancement in biomedical diagnostics and monitoring due to their unique properties of flexibility, biocompatibility, and selective responsiveness. This review provides a comprehensive overview of polymer-based optical sensors, covering the fundamental operational principles, key insights of various polymer-based optical sensors, and the considerable impact of polymer integration on their functional capabilities. Primary attention is given to all-polymer optical fibers and polymer-coated optical fibers, emphasizing their significant role in “enabling” biomedical sensing applications. Unlike existing reviews focused on specific polymer types and optical sensor methods for biomedical use, this review highlights the substantial impact of polymers as functional materials and transducers in enhancing the performance and applicability of various biomedical optical sensing technologies. Various sensor configurations based on waveguides, luminescence, surface plasmon resonance, and diverse types of polymer optical fibers have been discussed, along with pertinent examples, in biomedical applications. This review highlights the use of biocompatible, hydrophilic, stimuli-responsive polymers and other such functional polymers that impart selectivity, sensitivity, and stability, improving interactions with biological parameters. Various fabrication techniques for polymer coatings are also explored, highlighting their advantages and disadvantages. Special emphasis is given to polymer-coated optical fiber sensors for biomedical catheters and guidewires. By synthesizing the latest research, this review aims to provide insights into polymer-based optical sensors’ current capabilities and future potential in improving diagnostic and therapeutic outcomes in the biomedical field. Full article
(This article belongs to the Special Issue Emerging Trends in Optical Fiber Sensors and Sensing Techniques)
16 pages, 5848 KiB  
Article
Adhesion-Related Phenomena of Stellite 6 HVOF Sprayed Coating Deposited on Laser-Textured Substrates
by Žaneta Dlouhá, Josef Duliškovič, Marie Frank Netrvalová, Jana Naďová, Marek Vostřák, Sebastian Kraft, Udo Löschner, Jiří Martan and Šárka Houdková
Materials 2024, 17(20), 5069; https://doi.org/10.3390/ma17205069 - 17 Oct 2024
Abstract
The focus of this research is to examine the feasibility of using laser texturing as a method for surface preparation prior to thermal spraying. The experimental part includes the thermal spraying of a Stellite 6 coating by High Velocity Oxygen Fuel (HVOF) technology [...] Read more.
The focus of this research is to examine the feasibility of using laser texturing as a method for surface preparation prior to thermal spraying. The experimental part includes the thermal spraying of a Stellite 6 coating by High Velocity Oxygen Fuel (HVOF) technology on laser-textured substrates. The thermal spraying of this coating was deposited both on conventional substrate material (low carbon steel) and on substrates that had been previously heat treated (nitrided steel). The properties of the coatings were analysed using scanning electron microscopy (SEM), optical microscopy (OM) and Raman spectroscopy. Adhesion was assessed through a tensile adhesion test. The results showed the usability of laser texturing in the case of carbon steel, which was comparable or even better than traditional grit blasting. For nitrided steel, the problem remains with the hardness and brittleness of the nitrided layer, which allows for the propagation of brittle cracks near the interface and thus reduces the adhesion strength. Full article
(This article belongs to the Special Issue Advances in Metal Coatings for Wear and Corrosion Applications)
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Figure 1

Figure 1
<p>Laser texturing patterns.</p>
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<p>Examples of laser texturing geometries: (<b>a</b>) CSD4; (<b>b</b>) CST1; (<b>c</b>) CSC2.</p>
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<p>Measurement positions and measured Raman spectra on the surface of 3 types of substrates on 5 differently placed measurements.</p>
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<p>The dimple structure of (<b>a</b>) CSD1 and (<b>b</b>) NSD1.</p>
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<p>Examples of Stellite 6 coating, deposited on carbon steel substrate with various texture geometry: (<b>a</b>) CSD1, (<b>b</b>) CSC2 and (<b>c</b>) CST3.</p>
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<p>The interface between Stellite 6 coating and (<b>a</b>) carbon steel substrate CSD1 and (<b>b</b>) nitride steel NSD1. The red arrows indicate multiple cracks in the thin layer beneath the surface of the nitrided substrate.</p>
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<p>Graph of the EDX analysis on (<b>a</b>) NSD1 and (<b>b</b>) NSC3. The numbers 23 and 25 in the figure represent the total number of measurements taken.</p>
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<p>HV0.3 distribution for nitride (NS—2 measurements), laser-textured (NSC4 without coating—2 measurements), and laser-textured and sprayed samples (NSC4 with coating—3 measurements).</p>
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41 pages, 1442 KiB  
Review
Innovations in Nanoemulsion Technology: Enhancing Drug Delivery for Oral, Parenteral, and Ophthalmic Applications
by Shery Jacob, Fathima Sheik Kather, Sai H. S. Boddu, Jigar Shah and Anroop B. Nair
Pharmaceutics 2024, 16(10), 1333; https://doi.org/10.3390/pharmaceutics16101333 - 17 Oct 2024
Abstract
Nanoemulsions (NEs) are submicron-sized heterogeneous biphasic liquid systems stabilized by surfactants. They are physically transparent or translucent, optically isotropic, and kinetically stable, with droplet sizes ranging from 20 to 500 nm. Their unique properties, such as high surface area, small droplet size, enhanced [...] Read more.
Nanoemulsions (NEs) are submicron-sized heterogeneous biphasic liquid systems stabilized by surfactants. They are physically transparent or translucent, optically isotropic, and kinetically stable, with droplet sizes ranging from 20 to 500 nm. Their unique properties, such as high surface area, small droplet size, enhanced bioavailability, excellent physical stability, and rapid digestibility, make them ideal for encapsulating various active substances. This review focuses on recent advancements, future prospects, and challenges in the field of NEs, particularly in oral, parenteral, and ophthalmic delivery. It also discusses recent clinical trials and patents. Different types of in vitro and in vivo NE characterization techniques are summarized. High-energy and low-energy preparation methods are briefly described with diagrams. Formulation considerations and commonly used excipients for oral, ocular, and ophthalmic drug delivery are presented. The review emphasizes the need for new functional excipients to improve the permeation of large molecular weight unstable proteins, oligonucleotides, and hydrophilic drugs to advance drug delivery rapidly. Full article
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Figure 1
<p>Schematic illustration of high-pressure homogenization and microfluidization process (created with <a href="http://BioRender.com" target="_blank">BioRender.com</a>, accessed on 23 September 2024).</p>
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<p>Schematic illustration of rotor-stator high-shear homogenization, probe sonication, and ultrasonication (created with <a href="http://BioRender.com" target="_blank">BioRender.com</a>, accessed on 23 September 2024).</p>
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<p>Schematic illustration of phase inversion composition and phase inversion temperature (created with <a href="http://BioRender.com" target="_blank">BioRender.com</a>, accessed on 23 September 2024).</p>
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<p>Schematic illustration of aqueous titration with pseudo ternary phase diagram (created with <a href="http://BioRender.com" target="_blank">BioRender.com</a>, accessed on 23 September 2024).</p>
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20 pages, 24444 KiB  
Article
Preparation and Photocatalytic Performance of In2O3/Bi2WO6 Type II Heterojunction Composite Materials
by Xiuping Zhang, Fengqiu Qin, Yuanyuan Zhong, Tian Xiao, Qiang Yu, Xiaodong Zhu, Wei Feng and Zhiyong Qi
Molecules 2024, 29(20), 4911; https://doi.org/10.3390/molecules29204911 - 17 Oct 2024
Abstract
Bismuth-based photocatalytic materials have been widely used in the field of photocatalysis in recent years due to their unique layered structure. However, single bismuth-based photocatalytic materials are greatly limited in their photocatalytic performance due to their poor response to visible light and easy [...] Read more.
Bismuth-based photocatalytic materials have been widely used in the field of photocatalysis in recent years due to their unique layered structure. However, single bismuth-based photocatalytic materials are greatly limited in their photocatalytic performance due to their poor response to visible light and easy recombination of photogenerated charges. At present, constructing semiconductor heterojunctions is an effective modification method that improves quantum efficiency by promoting the separation of photogenerated electrons and holes. In this study, the successful preparation of an In2O3/Bi2WO6 (In2O3/BWO) II-type semiconductor heterojunction composite material was achieved. XRD characterization was performed to conduct a phase analysis of the samples, SEM and TEM characterization for a morphology analysis of the samples, and DRS and XPS testing for optical property and elemental valence state analyses of the samples. In the II-type semiconductor junction system, photogenerated electrons (e) on the In2O3 conduction band (CB) migrate to the BWO CB, while holes (h+) on the BWO valence band (VB) transfer to the In2O3 VB, promoting the separation of photoinduced charges, raising the quantum efficiency. When the molar ratio of In2O3/BWO is 2:6, the photocatalytic degradation degree of rhodamine B (RhB) is 59.4% (44.0% for BWO) after 60 min illumination, showing the best photocatalytic activity. After four cycles, the degradation degree of the sample was 54.3%, which is 91.4% of that of the first photocatalytic degradation experiment, indicating that the sample has good reusability. The XRD results of 2:6 In2O3/BWO before and after the cyclic experiments show that the positions and intensities of its diffraction peaks did not change significantly, indicating excellent structural stability. The active species experiment results imply that h+ is the primary species. Additionally, this study proposes a mechanism for the separation, migration, and photocatalysis of photoinduced charges in II-type semiconductor junctions. Full article
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Figure 1

Figure 1
<p>XRD patterns of samples.</p>
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<p>SEM images of samples, with different magnifications: BWO (<b>a</b>,<b>b</b>), In<sub>2</sub>O<sub>3</sub> (<b>c</b>,<b>d</b>), 1:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>e</b>,<b>f</b>), 2:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>g</b>,<b>h</b>), 3:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>i</b>,<b>j</b>), and 4:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>k</b>,<b>l</b>).</p>
Full article ">Figure 2 Cont.
<p>SEM images of samples, with different magnifications: BWO (<b>a</b>,<b>b</b>), In<sub>2</sub>O<sub>3</sub> (<b>c</b>,<b>d</b>), 1:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>e</b>,<b>f</b>), 2:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>g</b>,<b>h</b>), 3:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>i</b>,<b>j</b>), and 4:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>k</b>,<b>l</b>).</p>
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<p>(<b>a</b>) SEM image of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO; (<b>b</b>–<b>e</b>) element mappings of Bi, O, W, In; (<b>f</b>) EDS analysis of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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<p>TEM and HRTEM images of samples: BWO (<b>a</b>,<b>c</b>) and 2:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>b</b>,<b>d</b>).</p>
Full article ">Figure 4 Cont.
<p>TEM and HRTEM images of samples: BWO (<b>a</b>,<b>c</b>) and 2:6 In<sub>2</sub>O<sub>3</sub>/BWO (<b>b</b>,<b>d</b>).</p>
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<p>XPS spectra of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO: (<b>a</b>) total spectrum; (<b>b</b>) Bi 4f; (<b>c</b>) O 1s; (<b>d</b>) W 4f; and (<b>e</b>) In 3d.</p>
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<p>XPS spectra of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO: (<b>a</b>) total spectrum; (<b>b</b>) Bi 4f; (<b>c</b>) O 1s; (<b>d</b>) W 4f; and (<b>e</b>) In 3d.</p>
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<p>N<sub>2</sub> adsorption–desorption isotherms and pore size distribution curve of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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<p>UV–visible diffuse reflectance spectrum (<b>a</b>) and bandgap diagram (<b>b</b>) of In<sub>2</sub>O<sub>3</sub>.</p>
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<p>PL patterns of samples.</p>
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<p>Time-resolved transient PL decay of BWO and 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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<p>Photodegradation curves (<b>a</b>) and kinetic fitting curves (<b>b</b>) of samples.</p>
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<p>The reuse experiment of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO for RhB degradation.</p>
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<p>XRD patterns of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO before and after the photocatalytic experiment.</p>
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<p>SEM images of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO at 10,000× magnification (<b>a</b>) and 100,000× magnification (<b>b</b>) after cycling experiments.</p>
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<p>XPS spectra of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO before and after the photocatalytic experiment: (<b>a</b>) Bi 4f; (<b>b</b>) W 4f; (<b>c</b>) In 3d.</p>
Full article ">Figure 14 Cont.
<p>XPS spectra of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO before and after the photocatalytic experiment: (<b>a</b>) Bi 4f; (<b>b</b>) W 4f; (<b>c</b>) In 3d.</p>
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<p>Photocurrent response curves (<b>a</b>) and electrochemical impedance spectroscopy curves (<b>b</b>) of BWO and 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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<p>Photocurrent response curves (<b>a</b>) and electrochemical impedance spectroscopy curves (<b>b</b>) of BWO and 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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<p>The degradation degrees of 2:6 In<sub>2</sub>O<sub>3</sub>/BWO in the presence of different scavengers.</p>
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<p>Schematic diagram of photogenerated charge transfer and formation of free radicals in 2:6 In<sub>2</sub>O<sub>3</sub>/BWO.</p>
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23 pages, 3427 KiB  
Article
Enhanced Interfaces for High-Temperature Purposes—Practical Methodology and Characterization
by José Pereira, Reinaldo Souza, António Moreira and Ana Moita
Processes 2024, 12(10), 2265; https://doi.org/10.3390/pr12102265 - 17 Oct 2024
Abstract
The current study is focused on devising treated diatomite interfaces with the robustness and boiling water resistance necessary for high-temperature purposes. This work describes the synthesis methodology of the diatomite-based coatings, which followed the production of a composite formulation composed by treated diatomite [...] Read more.
The current study is focused on devising treated diatomite interfaces with the robustness and boiling water resistance necessary for high-temperature purposes. This work describes the synthesis methodology of the diatomite-based coatings, which followed the production of a composite formulation composed by treated diatomite powder dispersed in an epoxy resin matrix. After its preparation, the suspension was applied via the dip-coating technique over AISI-304 stainless-steel foils, which, after being air dried, underwent a post-curing treatment. Also, the interfaces were characterized by diverse techniques such as scanning electron microscopy and optical tensiometry. Apart from this, their thermophysical properties like thermal conductivity were also determined. Further, the physical and chemical durability of the interfaces was also evaluated via the elaboration of robustness tests including abrasion resistance, adhesion strength, solid impact resistance, and solvent resistance. The results showed satisfactory resistant interfaces, and with a wettability characterized by contact angles superior to 150°. Also, the interfaces confirmed improved durability when immersed in boiling water at 1 atm, since their wetting characteristics and durability remained nearly unaltered after 762 h of testing. Additionally, the synthesized interfaces possessed self-cleaning ability and chemical and thermal shock aging resistance. Generally, the fundamental outcomes of this work point out the suitability of the produced diatomite-based interfaces to be explored in high-temperature applications like flow boiling, pool boiling, and condensation. In terms of practicality, the method of preparation of the interfaces was a relatively easy and rapid approach to obtaining enhanced wettability and resilient interfaces, and with the required adaptations like the ratios between the raw materials, its suitability for large-scale applications makes this an appealing option. Full article
(This article belongs to the Special Issue Interfacial Structure-Mediated Controllable Adhesion and Assembly)
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Figure 1

Figure 1
<p>Substrate and coatings: (<b>a</b>) substrate made of stainless-steel AISI 304, (<b>b</b>) the same substrate after etching, (<b>c</b>) coating with a particle loading of 25%, (<b>d</b>) coating with a particle loading of 35%, and (<b>e</b>) coating with a particle loading of 45%.</p>
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<p>Fourier transform infrared spectroscopy spectra of the untreated diatomite powder (red line) and diatomite treated with PFOTS (orange line).</p>
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<p>Changes in the water contact angle as a function pool boiling duration.</p>
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<p>Contact angles for the coatings and substrate: (<b>a</b>) PL = 25% coating, (<b>b</b>) PL = 35% coating, (<b>c</b>) PL = 45% coating, and (<b>d</b>) stainless-steel substrate.</p>
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<p>Obtained SEM micrographs: (<b>a</b>) as-received diatomite powder showing the general view of the microstructure with disk-shaped particles reaching more than 60 µm of diameter, (<b>b</b>) details of the enhanced disk-shaped particle of the fluorinated diatomite powder, (<b>c</b>) structure overview of the diatomite–PFOTS–epoxy coating with 25% particle loading, (<b>d</b>) diatomite disk-shaped particle with approximately 60 µm of diameter in the 25% particle loading coating, (<b>e</b>) disk-shaped particles of the 35% particle loading coating, and (<b>f</b>) highly porous structure of the particles in the 45% particle loading coating.</p>
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<p>SEM micrographs highlighting the increased porosity of the developed coatings and the hierarchical porous structure of the diatomite particles: (<b>a</b>) unmodified diatomite, (<b>b</b>,<b>c</b>) fluorinated diatomite.</p>
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<p>Change in the water contact angle as a function of the number of peeling cycles during the adhesion strength test.</p>
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<p>Change in the water contact angle over the duration of the solid impact resistance test.</p>
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<p>Changes in the water contact angle over the duration of the suspension erosion resistance test.</p>
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<p>Evolution of the water contact angle against the number of cycles of the thermal shock aging resistance test.</p>
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<p>Evolution of the water contact angle against the number of days of the chemical aging resistance test.</p>
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<p>Evolution of the water contact angle against the duration of the acidic corrosion resistance test.</p>
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<p>Evolution of the water contact angle against the duration of the alkaline corrosion resistance test.</p>
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<p>Self-cleaning test for the PL = 25% coating: (<b>a</b>) coating entirely covered with aluminum oxide grains, (<b>b</b>) after dropping a few drops of dyed distilled water, and (<b>c</b>) coating entirely cleaned in all its extension.</p>
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10 pages, 3017 KiB  
Article
Flow Rate-Driven Morphology Evolution of Chemical Vapor Deposited WS2 at Varying Temperatures
by Himal Pokhrel, Sanjay Mishra and Shawn Pollard
Solids 2024, 5(4), 510-519; https://doi.org/10.3390/solids5040034 - 17 Oct 2024
Abstract
Due to its unique electronic and optical properties, tungsten disulfide (WS2) is a promising material for various device applications. However, achieving an efficient and cost-effective method for synthesizing large-area uniform WS2 is still challenging. In this work, we demonstrate the [...] Read more.
Due to its unique electronic and optical properties, tungsten disulfide (WS2) is a promising material for various device applications. However, achieving an efficient and cost-effective method for synthesizing large-area uniform WS2 is still challenging. In this work, we demonstrate the synthesis of few-layer WS2 crystallites by NaCl-assisted low-pressure chemical vapor deposition and study the effect of temperature and the carrier gas flow rate on the morphology, structure, and optical properties of the as-grown WS2 films. We observe transitions between regular triangular to strongly disordered structures with sizes up to 50 µm through temperature and carrier gas flow rate tuning. As-grown samples were characterized by Raman spectroscopy, scanning electron microscopy, and X-ray photoelectron spectroscopy. The result of this work provides a path toward the optimization of growth conditions for obtaining WS2 with desired morphologies for various applications. Full article
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Graphical abstract

Graphical abstract
Full article ">Figure 1
<p>(<b>a</b>) Schematic of the CVD set-up and (<b>b</b>) a diagram depicting a typical zonal growth pattern, with different regions (a–d) corresponding to bulk, large flakes, transitioning to smaller, isolated growth, and no growth regions, respectively. (<b>c</b>) The temperature profile used during heating, growth, and cooling.</p>
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<p>(<b>a</b>) Optical images showing the zonal growth pattern and relative extent of growth for (<b>top</b>) varying temperatures at a flow rate of 50 SCCM and (<b>bottom</b>) at varying flow rates at 800 °C, and representative SEM images in the region of (<b>b</b>) 0–1 cm, (<b>c</b>) 1–2 cm, and (<b>d</b>) 2–3 cm along the midpoint of the growth zone. The scale bar is 1 cm for (<b>a</b>) and 100 µm for (<b>b</b>–<b>d</b>).</p>
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<p>Raman spectra for samples grown at (<b>a</b>) 800 °C and varying flow rates, and (<b>b</b>) varying temperatures and a fixed 50 SCCM flow rate. Measurements were taken 2 cm from the leading edge of the substrate. Note that measurements taken at 50 SCCM were taken from different samples. However, this does not result in changes to the Raman spectra. Raman modes are marked in (<b>a</b>).</p>
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<p>SEM images at various distances along the leading edge of the substrate for varying temperatures at a constant flow rate of (<b>a</b>) 25 SCCM, (<b>b</b>) 50 SCCM, and (<b>c</b>) 75 SCCM. The scale bar is 10 µm for all images in (<b>a</b>) and 100 µm in (<b>b</b>) and (<b>c</b>). The magnified image on the inset (<b>b</b>) has a scale bar of 10 µm and indicates small-scale triangular growth.</p>
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<p>XPS spectra correspond with samples grown at 800 °C and the indicated flow rates. (<b>a</b>) Survey spectra showing the Na 1s, O KLL, W 4s, O 1s, W 4P<sub>1/2</sub>, W 4p<sub>3/2</sub>, C 1s, W 4d, S 2s, S 2p, Si 2p, and W 4f states in the order of decreasing binding energy. (<b>b</b>,<b>c</b>) show high-resolution scans corresponding to the W 4f and S2p states. The different rows in (<b>b</b>) and (<b>c</b>) represent flow rates indicated in (<b>b</b>).</p>
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<p>SEM images show the emergence of deviations from straight-edge triangular growth as the flow rate is increased from (<b>a</b>) 25 SCCM to (<b>b</b>) 75 SCCM. Otherwise, images are taken under identical growth conditions at 700 °C and 1 cm downstream.</p>
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18 pages, 9604 KiB  
Article
Green Silver Nanoparticles: Plant-Extract-Mediated Synthesis, Optical and Electrochemical Properties
by Natalia Stozhko, Aleksey Tarasov, Viktoria Tamoshenko, Maria Bukharinova, Ekaterina Khamzina and Veronika Kolotygina
Physchem 2024, 4(4), 402-419; https://doi.org/10.3390/physchem4040028 - 16 Oct 2024
Viewed by 195
Abstract
Antioxidants of plant extract play an important role in the phytosynthesis of silver nanoparticles (phyto-AgNPs), providing the reduction of silver ions and capping and stabilization of nanoparticles. Despite the current progress in the studies of phytosynthesis, there is no approach to the selection [...] Read more.
Antioxidants of plant extract play an important role in the phytosynthesis of silver nanoparticles (phyto-AgNPs), providing the reduction of silver ions and capping and stabilization of nanoparticles. Despite the current progress in the studies of phytosynthesis, there is no approach to the selection of plant extract for obtaining phyto-AgNPs with desired properties. This work shows that antioxidant activity (AOA) of plant extracts is a key parameter for targeted phytosynthesis. In support of this fact, the synthesis of phyto-AgNPs was carried out using extracts of four plants with different AOA, increasing in the order Ribes uva-crispa < Lonicera caerulea < Fragaria vesca < Hippophae rhamnoides. Phyto-AgNPs have been characterized using Fourier-transform infrared spectroscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected area electron diffraction technique, ultraviolet–visible spectroscopy, electrochemical impedance spectroscopy and cyclic voltammetry. It was established that the change in the AOA of the plant extract is accompanied by a size-dependent change in the optical and electrochemical properties of phyto-AgNPs. In particular, an increase in the extract AOA leads to the formation of smaller phyto-AgNPs with higher electrochemical activity and low charge transfer resistance. A “blue shift” and an increase in the plasmon resonance band of silver sols are observed with an increase in the extract AOA. The obtained regularities prove the existence of the “AOA–size–properties” triad, which can be used for controlled phytosynthesis and prediction of phyto-AgNPs’ properties. Full article
(This article belongs to the Section Electrochemistry)
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<p>FTIR spectra for gooseberry (<b>a</b>), blue honeysuckle (<b>b</b>), strawberry (<b>c</b>) and sea buckthorn (<b>d</b>). Spectra 1 and 2 correspond to the plant extract and phyto-AgNP sol, respectively.</p>
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<p>TEM images, histograms of particle distribution by size, EDS spectra and SAED patterns of phyto-AgNPs synthesized using extracts of gooseberry (<b>a</b>), blue honeysuckle (<b>b</b>), strawberry (<b>c</b>) and sea buckthorn (<b>d</b>).</p>
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<p>Photographs (<b>a</b>) and absorption spectra (<b>b</b>) of phyto-AgNP sols synthesized using extracts of various plants. A<sub>max</sub> (<b>c</b>) and λ<sub>SPR</sub> (<b>d</b>) of phyto-AgNP sols depending on the plant extract AOA.</p>
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<p>Photographs (<b>a</b>) and absorption spectra (<b>b</b>) of phyto-AgNP sols synthesized using extracts of various plants. A<sub>max</sub> (<b>c</b>) and λ<sub>SPR</sub> (<b>d</b>) of phyto-AgNP sols depending on the plant extract AOA.</p>
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<p>Absorption spectra of phyto-AgNPs(b) sols obtained as a result of synthesis using sea buckthorn extracts with different AOA (<b>a</b>). Dependence of A<sub>max</sub> (<b>b</b>) and λ<sub>SPR</sub> (<b>c</b>) of phyto-AgNPs(b) sols on AOA of sea buckthorn extracts.</p>
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<p>Dependence of A<sub>max</sub> (<b>a</b>) and λ<sub>SPR</sub> (<b>b</b>) of phyto-AgNP sols on the plant extract AOA.</p>
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<p>Comparison of A<sub>max</sub> (<b>a</b>) and λ<sub>SPR</sub> (<b>b</b>) of phyto-AgNP sols obtained immediately after synthesis at pH 5 and 16 h after it.</p>
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<p>Nyquist plot (<b>a</b>) and Bode plot (<b>b</b>) for bare and phyto-AgNP-modified SPCE in 0.1 mol L<sup>−1</sup> KCl solution containing 5 mmol L<sup>−1</sup> K<sub>3</sub>[Fe(CN)<sub>6</sub>].</p>
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<p>Cyclic voltammograms of plant extracts (1), native (2) and “washed” (3) phytoAgNPs synthesized using gooseberry (<b>a</b>), blue honeysuckle (<b>b</b>), strawberry (<b>c</b>) and sea buckthorn (<b>d</b>). Background 0.1 mol L<sup>–1</sup> H<sub>2</sub>SO<sub>4</sub>. Potential scan rate 50 mV s<sup>−1</sup>.</p>
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<p>Cyclic voltammograms of phyto-AgNPs synthesized using extracts of different plants at pH 5 (<b>a</b>). Dependences of I<sub>p</sub> (<b>b</b>) and E<sub>p</sub> (<b>c</b>) of phyto-AgNP oxidation on plant extract AOA.</p>
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12 pages, 10502 KiB  
Article
Indentation-Free Resistance Spot Welding of SUS301L Stainless Steel
by Yutong Liu, Yuming Xie, Xiuwen Sun, Licheng Sun, Naijie Wang, Xiaotian Ma, Xiangchen Meng and Yongxian Huang
Metals 2024, 14(10), 1178; https://doi.org/10.3390/met14101178 - 16 Oct 2024
Viewed by 237
Abstract
Paint-free bodywork has become an attractive alternative for rail vehicles, in the direction of easy maintainability and low manufacturing costs. However, conventional resistance spot welding inevitably leaves indentation marks to detrimentally reduce the optical homogeneity of the paint-free bodywork. In light of this, [...] Read more.
Paint-free bodywork has become an attractive alternative for rail vehicles, in the direction of easy maintainability and low manufacturing costs. However, conventional resistance spot welding inevitably leaves indentation marks to detrimentally reduce the optical homogeneity of the paint-free bodywork. In light of this, indentation-free resistance spot welding is proposed for joining SUS301L stainless steel sheets in order to achieve superior surficial integrity. A tiny SUS301L steel ball with a diameter of 1.5 mm was chosen as the intermediate filler between two steel sheets to avoid the formation of surficial indentation. The influence of welding current and welding time on the mechanical properties of joints was studied. The optimal parameters of the mechanical properties were obtained when the welding current was 8.0 kA, the welding time was 150 ms, the electrode pressure was 0.35 MPa, and the electrodes were cylindrical planar electrodes, which was determined by comparing the tensile shear test results. The surficial indentation depth was less than 1% of the plate thickness, and no observable indentations were seen on the surface of the optimized welding spots. Full article
(This article belongs to the Special Issue Novel Insights and Advances in Steels and Cast Irons)
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<p>Process of indentation-free resistance spot welding.</p>
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<p>Principle of indentation-free resistance spot welding.</p>
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<p>Dimensions of tensile shear test specimens.</p>
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<p>Appearance of 1.5 mm diameter steel ball welded onto 0.6 mm thick sheet.</p>
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<p>Surface morphology of spot-welded joints: (<b>a</b>) 7.0 kA, 150 ms, 0.35 MPa, (<b>b</b>) 7.5 kA, 150 ms, 0.35 MPa, (<b>c</b>) 8.0 kA, 150 ms, 0.35 MPa and (<b>d</b>) 8.0 kA, 180 ms, 0.35 MPa.</p>
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<p>Nugget morphologies of resistance spot weld joint.</p>
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<p>Microstructure of resistance spot-welding joint: (<b>a</b>) sampling position of <a href="#metals-14-01178-f008" class="html-fig">Figure 8</a>a, (<b>b</b>) sampling position of <a href="#metals-14-01178-f008" class="html-fig">Figure 8</a>b, and (<b>c</b>) sampling position of <a href="#metals-14-01178-f008" class="html-fig">Figure 8</a>c.</p>
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<p>Interfaces of the welded joints: (<b>a</b>) no obvious interface, (<b>b</b>) distinct interface with cracks, and (<b>c</b>) interface with extruded steel ball.</p>
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<p>Tensile shear curve with different parameters: (<b>a</b>) tensile shear force curve with different welding currents, (<b>b</b>) load–displacement curve, (<b>c</b>) tensile shear force curve with different welding time, and (<b>d</b>) load–displacement curve.</p>
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<p>Fracture surface morphology of RSW joint: (<b>a</b>) 7.0 kA, 150 ms,0.35 MPa, (<b>b</b>) 7.5 kA, 150 ms, 0.35 MPa, (<b>c</b>) 8.0 kA, 150 ms, 0.35 MPa, and (<b>d</b>) 8.5 kA, 150 ms, 0.35 MPa.</p>
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<p>Fracture interface morphologies and fracture locations: (<b>a</b>) nugget morphology of the joint, 8.0 kA, 180 ms, 0.35 MPa, (<b>b</b>) macroscopic fracture interface of interfacial fracture mode, 7.0 kA, 150 ms, 0.35 MPa, and (<b>c</b>) macroscopic fracture interface of button fracture mode, 8.0 kA, 150 ms, 0.35 MPa.</p>
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<p>Surface morphologies of the joint. (<b>a</b>) Macroscopic indentation on the side surface of the thick plate, (<b>b</b>) the thick plate side indentation under an ultra-deep microscope, and (<b>c</b>) indentation depth of the red line joint surface.</p>
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21 pages, 9532 KiB  
Article
Dual-Function Femtosecond Laser: β-TCP Structuring and AgNP Synthesis via Photoreduction with Azorean Green Tea for Enhanced Osteointegration and Antibacterial Properties
by Marco Oliveira, Liliya Angelova, Liliana Grenho, Maria Helena Fernandes and Albena Daskalova
Materials 2024, 17(20), 5057; https://doi.org/10.3390/ma17205057 - 16 Oct 2024
Viewed by 307
Abstract
β-Tricalcium phosphate (β-TCP) is a well-established biomaterial for bone regeneration, highly regarded for its biocompatibility and osteoconductivity. However, its clinical efficacy is often compromised by susceptibility to bacterial infections. In this study, we address this limitation by integrating femtosecond (fs)-laser processing with the [...] Read more.
β-Tricalcium phosphate (β-TCP) is a well-established biomaterial for bone regeneration, highly regarded for its biocompatibility and osteoconductivity. However, its clinical efficacy is often compromised by susceptibility to bacterial infections. In this study, we address this limitation by integrating femtosecond (fs)-laser processing with the concurrent synthesis of silver nanoparticles (AgNPs) mediated by Azorean green tea leaf extract (GTLE), which is known for its rich antioxidant and anti-inflammatory properties. The fs laser was employed to modify the surface of β-TCP scaffolds by varying scanning velocities, fluences, and patterns. The resulting patterns, formed at lower scanning velocities, display organized nanostructures, along with enhanced roughness and wettability, as characterized by Scanning Electron Microscopy (SEM), optical profilometry, and contact angle measurements. Concurrently, the femtosecond laser facilitated the photoreduction of silver ions in the presence of GTLE, enabling the efficient synthesis of small, spherical AgNPs, as confirmed by UV–vis spectroscopy, Transmission Electron Microscopy (TEM), and Fourier Transform Infrared Spectroscopy (FTIR). The resulting AgNP-embedded β-TCP scaffolds exhibited a significantly improved cell viability and elongation of human bone marrow mesenchymal stem cells (hBM-MSCs), alongside significant antibacterial activity against Staphylococcus aureus (S. aureus). This study underscores the transformative potential of combining femtosecond laser surface modification with GTLE-mediated AgNP synthesis, presenting a novel and effective strategy for enhancing the performance of β-TCP scaffolds in bone-tissue engineering. Full article
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<p>Representative image of four β-TCP samples prepared for fs-laser treatment.</p>
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<p>Schematic diagram illustrating the laser setup utilized for the surface treatment of β-TCP samples and the subsequent synthesis of AgNPs, each carried out as distinct steps.</p>
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<p>SEM micrographs illustrating the morphological changes in β-TCP samples induced by fs-laser treatment at various fluences (6.1 and 4.1 J/cm<sup>2</sup>), scanning velocities (1, 3.44, 5, 10, and 15 mm/s), and patterns (linear and crossed). Subfigures: (<b>A</b>) V = 1 mm/s, F = 4.1 J/cm<sup>2</sup>; (<b>B</b>) V = 3.44 mm/s, F = 4.1 J/cm<sup>2</sup>; (<b>C</b>) V = 5 mm/s, F = 4.1 J/cm<sup>2</sup>; (<b>D</b>) V = 1 mm/s, F = 6.1 J/cm<sup>2</sup>; (<b>E</b>) V = 3.44 mm/s, F = 6.1 J/cm<sup>2</sup>; (<b>F</b>) V = 5 mm/s, F = 6.1 J/cm<sup>2</sup>; (<b>G</b>) V = 10 mm/s, F = 4.1 J/cm<sup>2</sup>; (<b>H</b>) V = 15 mm/s, F = 4.1 J/cm<sup>2</sup>; (<b>I</b>) V = 1 mm/s (Crossed), F = 4.1 J/cm<sup>2</sup>; (<b>J</b>) V = 10 mm/s, F = 6.1 J/cm<sup>2</sup>; (<b>L</b>) V = 15 mm/s, F = 6.1 J/cm<sup>2</sup>. All micrographs were acquired with an acceleration of 20 kV and a magnification of 5000×.</p>
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<p>3D optical profilometry images illustrating the groove depth variations in β-TCP samples induced by fs-laser treatment at various fluences (6.1 and 4.1 J/cm<sup>2</sup>), scanning velocities (1, 3.44, 5, 10, and 15 mm/s), and patterns (linear and crossed), acquired with a magnification of 20×.</p>
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<p>Multivariable bubble plot (<b>A</b>) and biplot of PCA analysis (<b>B</b>) illustrating the effects of fluence, scanning velocity, and patterns on the surface roughness parameter Sa.</p>
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<p>(<b>A</b>) Graph illustrating the variation in contact angle over time for non-laser-treated samples, indicating changes in wettability. (<b>B</b>) Representative image of a water droplet on a non-laser-treated sample, demonstrating its wettability. (<b>C</b>) Comparison image of a water droplet on an fs-laser-treated sample, highlighting the increased wettability of the treated surface.</p>
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<p>UV–vis spectra showing the SPR peaks of synthesized AgNPs at laser fluences of 8.1 J/cm<sup>2</sup> (<b>A</b>) and 16.3 J/cm<sup>2</sup> (<b>B</b>). Graphs depicting the pseudo-first-order kinetics for the reduction of Ag<sup>+</sup> ions at fluences of 8.1 J/cm<sup>2</sup> (<b>C</b>) and 16.3 J/cm<sup>2</sup> (<b>D</b>).</p>
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<p>FTIR spectra showing the characteristic vibrational bands of the GTLE and the synthesized AgNPs.</p>
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<p>TEM micrographs illustrating the morphology of AgNPs synthesized at fluences of 8.1 J/cm<sup>2</sup> (<b>A</b>) and 16.3 J/cm<sup>2</sup> (<b>B</b>); corresponding histograms showing the size distribution of AgNPs synthesized at these fluences, 8.1 J/cm<sup>2</sup> (<b>C</b>) and 16.3 J/cm<sup>2</sup> (<b>D</b>).</p>
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<p>Metabolic activity of hBM-MSCs cultured over the fs-laser-treated β-TCP scaffolds for periods up to 12 days. Results are presented relative to the untreated samples (control, set up at 1.0, dotted line). Statistically different from control: * <span class="html-italic">p</span> &lt; 0.05, ** <span class="html-italic">p</span> &lt; 0.01 and *** <span class="html-italic">p</span> &lt; 0.001.</p>
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<p>SEM images of human hBM-MSCs cultured over the fs-laser-treated β-TCP scaffolds for 12 days. Low (<b>A</b>–<b>C</b>) and high (<b>D</b>–<b>F</b>) magnification images (1000× and 5000×, respectively). Red arrows: examples of mineralized deposits.</p>
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<p>Antibacterial activity of the fs-laser-treated β-TCP scaffolds against sessile (<b>A</b>) and planktonic (<b>B</b>) growth of <span class="html-italic">S. aureus</span>. Results are presented relative to the untreated samples (control, set up at 1.0, dotted line). Statistically different from control: ** <span class="html-italic">p</span> &lt; 0.01 and *** <span class="html-italic">p</span> &lt; 0.001.</p>
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<p>Representative SEM micrographs showing <span class="html-italic">S. aureus</span> cells (yellow) adhered to the non-laser-treated region of the β-TCP surface (<b>A</b>) and to the bottom of the laser-treated region (<b>B</b>).</p>
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19 pages, 2785 KiB  
Article
Activated Carbon and Biochar Derived from Sargassum sp. Applied in Polyurethane-Based Materials Development
by Julie Mallouhi, Miklós Varga, Emőke Sikora, Kitty Gráczer, Olivér Bánhidi, Sarra Gaspard, Francesca Goudou, Béla Viskolcz, Emma Szőri-Dorogházi and Béla Fiser
Polymers 2024, 16(20), 2914; https://doi.org/10.3390/polym16202914 - 16 Oct 2024
Viewed by 330
Abstract
Activated carbon (AC) and biochar (BC) are porous materials with large surface areas and widely used in environmental and industrial applications. In this study, different types of AC and BC samples were produced from Sargassum sp. by a chemical activation and pyrolysis process [...] Read more.
Activated carbon (AC) and biochar (BC) are porous materials with large surface areas and widely used in environmental and industrial applications. In this study, different types of AC and BC samples were produced from Sargassum sp. by a chemical activation and pyrolysis process and compared to commercial activated carbon samples. All samples were characterized using various techniques to understand their structure and functionalities. The metal content of the samples was characterized by using an inductively coupled optical emission spectrometer (ICP-OES). A toxicity test was applied to investigate the effect of AC/BC on organisms, where Sinapis alba seed and Escherichia coli bacteria-based toxicity tests were used. The results revealed that the samples did not negatively affect these two organisms. Thus, it is safe to use them in various applications. Therefore, the samples were tested as fillers in polyurethane composites and, thus, polyurethane-AC/BC samples were prepared. The amounts of AC/BC mixed into the polyurethane formulation were 1%, 2%, and 3%. Mechanical and acoustic properties of these composites were analyzed, showing that by adding the AC/BC to the system an increase in the compression strength for all the samples was achieved. A similar effect of the AC/BC was noticed in the acoustic measurements, where adding AC/BC enhanced the sound adsorption coefficient (α) for all composite materials. Full article
(This article belongs to the Special Issue Challenges and Trends in Polymer Composites—2nd Edition)
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<p><span class="html-italic">Sinapis alba</span> seed test: (<b>a</b>) different types of AC/BC suspended in 20 mL of dilution water; (<b>b</b>) germinated seeds after incubation.</p>
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<p>Zeta potential distribution of the four different activated carbon/biochar samples.</p>
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<p>FTIR spectra of the four different activated carbon/biochar (COMAC, AC, BC, and Reference AC) samples.</p>
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<p>Percentage of the length of the growing root <span class="html-italic">of Sinapis alba</span> (white mustard) seeds exposed to COMAC (commercial activated carbon), AC (activated carbon was prepared from <span class="html-italic">Sargassum</span> sp. by chemical activation), and BC (biochar prepared from <span class="html-italic">Sargassum</span> sp. by pyrolysis) compared to the growing roots exposed to the Reference AC (Norit<sup>®</sup> activated charcoal). The red dotted line refers to the level of germination seeds for the samples in comparison to the Reference AC. Bacterial Test for Activated Carbon and Biochar.</p>
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<p>Bacteria-based toxicity tests in liquid phase: (<b>a</b>) LB flasks containing AC/BC samples with <span class="html-italic">Escherichia coli</span> liquid medium, (<b>b</b>) plates with <span class="html-italic">Escherichia coli</span> grown in LB solid medium, for colony counting, and (<b>c</b>) plate with spread of 100 µL from bacterial suspension with AC/BC samples.</p>
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<p>Average compression force (F) deflection of composite samples PUF/Reference AC, PUF/COMAC, PUF/AC, PUF/BC, and the control PUF sample. The red arrow refers to the PUF/AC at 3% which was not possible to measure. The red dotted line refers to the level of the compression force of all composite samples compared to Control-PUF.</p>
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<p>Sound absorption coefficient (α) for composite samples PUF/Reference AC, PUF/COMAC, PUF/AC, PUF/BC and the control sample PUF.</p>
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17 pages, 5286 KiB  
Article
Synthesis, Urease Inhibition, Molecular Docking, and Optical Analysis of a Symmetrical Schiff Base and Its Selected Metal Complexes
by Samuel Bonne, Muhammad Saleem, Muhammad Hanif, Joseph Najjar, Salahuddin Khan, Muhammad Zeeshan, Tehreem Tahir, Anser Ali, Changrui Lu and Ting Chen
Molecules 2024, 29(20), 4899; https://doi.org/10.3390/molecules29204899 - 16 Oct 2024
Viewed by 240
Abstract
Designing and developing small organic molecules for use as urease inhibitors is challenging due to the need for ecosystem sustainability and the requirement to prevent health risks related to the human stomach and urinary tract. Moreover, imaging analysis is widely utilized for tracking [...] Read more.
Designing and developing small organic molecules for use as urease inhibitors is challenging due to the need for ecosystem sustainability and the requirement to prevent health risks related to the human stomach and urinary tract. Moreover, imaging analysis is widely utilized for tracking infections in intracellular and in vivo systems, which requires drug molecules with emissive potential, specifically in the low-energy region. This study comprises the synthesis of a Schiff base ligand and its selected transition metals to evaluate their UV/fluorescence properties, inhibitory activity against urease, and molecular docking. Screening of the symmetrical cage-like ligand and its metal complexes with various eco-friendly transition metals revealed significant urease inhibition potential. The IC50 value of the ligand for urease inhibition was 21.80 ± 1.88 µM, comparable to that of thiourea. Notably, upon coordination with transition metals, the ligand–nickel and ligand–copper complexes exhibited even greater potency than the reference compound, with IC50 values of 11.8 ± 1.14 and 9.31 ± 1.31 µM, respectively. The ligand–cobalt complex exhibited an enzyme inhibitory potential comparable with thiourea, while the zinc and iron complexes demonstrated the least activity, which might be due to weaker interactions with the investigated protein. Meanwhile, all the metal complexes demonstrated a pronounced optical response, which could be utilized for fluorescence-guided targeted drug delivery applications in the future. Molecular docking analysis and IC50 values from in vitro urease inhibition screening showed a trend of increasing activity from compounds 7d to 7c to 7b. Enzyme kinetics studies using the Lineweaver–Burk plot indicated mixed-type inhibition against 7c and non-competitive inhibition against 7d. Full article
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<p>The absorption spectra of the ligand and its corresponding metal complexes.</p>
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<p>Chemical structure of the ligand’s complex tautomeric forms and their Huckel structures; (<b>a</b>,<b>d</b>) are chemical structures of two tautomers; (<b>b</b>,<b>e</b>) are HOMO; and (<b>c</b>,<b>f</b>) are the LUMO Huckel representations.</p>
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<p>Fluorescence spectra related to the ligand and its respective complexes.</p>
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<p>(<b>a</b>) Lineweaver–Burk plots showing urease inhibition using urea as substrate with concentrations of 3.12, 6.25, 12.5, 25, 50, and 100 mM and inhibitor as compound <b>7c</b> with concentrations of 0, 6.25, 12.5, 25, and 50 µM. Insets represent graphical representations of slope and intercept vs. inhibitor concentration (inset (<b>b</b>,<b>c</b>)).</p>
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<p>(<b>a</b>) Lineweaver–Burk plots showing urease inhibition when compound (<b>7d</b>) is present with concentrations of 0, 6.25, 12.5, 25, and 50 µM with the urea as the substrate with concentrations of 3.12, 6.25, 12.5, 25, 50, and 100 mM. (<b>b</b>) Representation of the graph of intercept verses <b>7d</b> concentrations.</p>
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<p>(<b>a</b>) Docked complex of the objective Jack Bean urease protein (PDB: 3LA4) with compounds <b>6</b> and <b>7a</b>–<b>e</b>; (<b>b</b>) 3D representation showing the key interacting groups between Jack Bean urease (PDB: 3LA4) and compound <b>6</b>; (<b>c</b>) <b>7a</b>; (<b>d</b>) <b>7b</b>; (<b>e</b>) <b>7c</b>; (<b>f</b>) <b>7d</b>; (<b>g</b>) <b>7e</b>.</p>
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<p>(<b>a</b>) Docked complex of the objective Jack Bean urease protein (PDB: 3LA4) with compounds <b>6</b> and <b>7a</b>–<b>e</b>; (<b>b</b>) 3D representation showing the key interacting groups between Jack Bean urease (PDB: 3LA4) and compound <b>6</b>; (<b>c</b>) <b>7a</b>; (<b>d</b>) <b>7b</b>; (<b>e</b>) <b>7c</b>; (<b>f</b>) <b>7d</b>; (<b>g</b>) <b>7e</b>.</p>
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<p>(<b>a</b>) Docked complex of the objective Jack Bean urease protein (PDB: 3LA4) with compounds <b>6</b> and <b>7a</b>–<b>e</b>; (<b>b</b>) 3D representation showing the key interacting groups between Jack Bean urease (PDB: 3LA4) and compound <b>6</b>; (<b>c</b>) <b>7a</b>; (<b>d</b>) <b>7b</b>; (<b>e</b>) <b>7c</b>; (<b>f</b>) <b>7d</b>; (<b>g</b>) <b>7e</b>.</p>
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<p>Mechanism of urea hydrolysis by urease.</p>
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<p>Synthetic pathway adopted for the accomplishment of target molecules: (I) C<sub>2</sub>H<sub>5</sub>OH; H<sub>2</sub>SO<sub>4</sub>; reflux; overnight. (II) N<sub>2</sub>H<sub>4</sub>.H<sub>2</sub>O; C<sub>2</sub>H<sub>5</sub>OH; reflux; overnight. (III) Aminoisocyanate; C<sub>2</sub>H<sub>5</sub>OH; reflux; 4–5 h. (IV) Pyridine-2,6-dicarbaldehyde; THF; reflux; overnight. (V) In situ; reflux; 12–14 h. (IV) Metal salt solution; C<sub>2</sub>H<sub>5</sub>OH; reflux; 3–4 h; <b>7a</b> [ligand–Fe(II)]; <b>7b</b> [ligand–Co(II)]; <b>7c</b> [ligand–Ni(II)]; <b>7d</b> [ligand–Cu(II)]; <b>7e</b> [ligand–Zn(II)].</p>
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17 pages, 39089 KiB  
Article
Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First Principles
by Lu Niu, Oliver J. Conquest, Carla Verdi and Catherine Stampfl
Nanomaterials 2024, 14(20), 1659; https://doi.org/10.3390/nano14201659 - 16 Oct 2024
Viewed by 255
Abstract
In the present work the atomic, electronic and optical properties of two-dimensional graphene, borophene, and boron carbide heterojunction bilayer systems (Graphene–BC3, Graphene–Borophene and Graphene–B4C3) as well as their constituent monolayers are investigated on the basis of first-principles [...] Read more.
In the present work the atomic, electronic and optical properties of two-dimensional graphene, borophene, and boron carbide heterojunction bilayer systems (Graphene–BC3, Graphene–Borophene and Graphene–B4C3) as well as their constituent monolayers are investigated on the basis of first-principles calculations using the HSE06 hybrid functional. Our calculations show that while borophene is metallic, both monolayer BC3 and B4C3 are indirect semiconductors, with band-gaps of 1.822 eV and 2.381 eV as obtained using HSE06. The Graphene–BC3 and Graphene–B4C3 bilayer heterojunction systems maintain the Dirac point-like character of graphene at the K-point with the opening of a very small gap (20–50 meV) and are essentially semi-metals, while Graphene–Borophene is metallic. All bilayer heterostructure systems possess absorbance in the visible region where the resonance frequency and resonance absorption peak intensity vary between structures. Remarkably, all heterojunctions support plasmons within the range 16.5–18.5 eV, while Graphene–B4C3 and Graphene–Borophene exhibit a π-type plasmon within the region 4–6 eV, with the latter possessing an additional plasmon at the lower energy of 1.5–3 eV. The dielectric tensor for Graphene–B4C3 exhibits complex off-diagonal elements due to the lower P3 space group symmetry indicating it has anisotropic dielectric properties and could exhibit optically active (chiral) effects. Our study shows that the two-dimensional heterostructures have desirable optical properties broadening the potential applications of the constituent monolayers. Full article
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<p>Optimized atomic structures of BC<sub>3</sub>, borophene, B<sub>4</sub>C<sub>3</sub> and graphene. Boron and carbon atoms are denoted by the green and brown spheres, respectively. Borophene has three unique bonds indicated by <math display="inline"><semantics> <msub> <mi>l</mi> <mn>1</mn> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mi>l</mi> <mn>2</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>l</mi> <mn>3</mn> </msub> </semantics></math>, while B<sub>4</sub>C<sub>3</sub> has four unique bonds indicated by <math display="inline"><semantics> <msub> <mi>l</mi> <mn>4</mn> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mi>l</mi> <mn>5</mn> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mi>l</mi> <mn>6</mn> </msub> </semantics></math> and <math display="inline"><semantics> <msub> <mi>l</mi> <mn>7</mn> </msub> </semantics></math>. The unit cells are highlighted in orange.</p>
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<p>Band structure of the four monolayer systems, BC<sub>3</sub>, B<sub>4</sub>C<sub>3</sub>, borophene and graphene as calculated using the PBE (blue) and HSE06 (orange) functionals. The Fermi level is indicated by the purple dashed line.</p>
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<p>Top view of the optimized atomic structures of Graphene–BC<sub>3</sub>, Graphene–Borophene, and Graphene–B<sub>4</sub>C<sub>3</sub>. Boron and carbon atoms are denoted by the green and brown spheres, respectively. The unit cell is indicated by the orange parallelogram.</p>
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<p>Charge density difference (<math display="inline"><semantics> <mrow> <mo>Δ</mo> <mi>ρ</mi> <mo>(</mo> <mi mathvariant="bold">r</mi> <mo>)</mo> </mrow> </semantics></math>, calculated using Equation (<a href="#FD10-nanomaterials-14-01659" class="html-disp-formula">10</a>)) between the monolayers and the heterostructures. Regions of charge accumulation are shown in yellow and regions of charge depletion are shown in blue. The isosurface level is <math display="inline"><semantics> <mrow> <mn>1.5</mn> <mo>×</mo> <msup> <mn>10</mn> <mrow> <mo>−</mo> <mn>4</mn> </mrow> </msup> </mrow> </semantics></math> a<sub>0</sub><sup>−3</sup> and the top layer is always graphene. The unit cell is indicated by the orange parallelogram.</p>
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<p>Band structure and total DOS for Graphene–BC<sub>3</sub> as calculated using the PBE (blue) and HSE06 (orange) functionals. The Fermi level is indicated by the purple dashed line.</p>
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<p>Band structure and total DOS for Graphene–Borophene as calculated using the PBE (blue) and HSE06 (orange) functionals. The Fermi level is indicated by the purple dashed line.</p>
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<p>Band structure and total DOS for Graphene–B<sub>4</sub>C<sub>3</sub> as calculated using the PBE (blue) and HSE06 (orange) functionals. The Fermi level is indicated by the purple dashed line.</p>
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<p><b>Left</b>: schematic of the Schottky-Mott model showing the valence and conduction band energies, the Fermi energy, and <span class="html-italic">n</span>-type and <span class="html-italic">p</span>-type Schottky barriers labelled <math display="inline"><semantics> <msub> <mi>E</mi> <mi>V</mi> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mi>E</mi> <mi>C</mi> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mi>E</mi> <mi>F</mi> </msub> </semantics></math>, <math display="inline"><semantics> <msub> <mo>Φ</mo> <mi>n</mi> </msub> </semantics></math>, and <math display="inline"><semantics> <msub> <mo>Φ</mo> <mi>p</mi> </msub> </semantics></math>, respectively. <b>Right</b>: Example for the HSE06 calculated Graphene–B<sub>4</sub>C<sub>3</sub> heterojunction showing the determined Schottky barrier height from the band structure.</p>
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<p>The real and imaginary parts of the in-plane and out-of-plane dielectric function as a function of photon energy as calculated using the PBE and HSE06 functionals for the Graphene–Borophene heterostructure.</p>
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<p>The real and imaginary parts of the in-plane and out-of-plane dielectric function as a function of photon energy as calculated using the PBE and HSE06 functionals for the Graphene–BC<sub>3</sub> heterostructure.</p>
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<p>The real and imaginary parts of the in-plane and out-of-plane dielectric function as a function of photon energy as calculated using the PBE and HSE06 functionals for the Graphene–B<sub>4</sub>C<sub>3</sub> heterostructure.</p>
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<p>The in-plane and out-of-plane adsorption coefficient (upper) and energy loss spectrum (lower) as a function of photon energy as calculated using the HSE06 functional.</p>
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<p>The in-plane and out-of-plane reflectivity (upper) and refractive index (lower) as a function of photon energy as calculated using the HSE06 functional.</p>
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12 pages, 1308 KiB  
Review
Proton Therapy in Uveal Melanoma
by Adrian Wai Chan, Haibo Lin, Irini Yacoub, Arpit M. Chhabra, J. Isabelle Choi and Charles B. Simone
Cancers 2024, 16(20), 3497; https://doi.org/10.3390/cancers16203497 - 16 Oct 2024
Viewed by 176
Abstract
Background/Objectives: Uveal melanoma is the most common primary intraocular malignancy in adults. Treatment options for localized, early-stage disease include enucleation, brachytherapy, and proton beam therapy. This review aims to evaluate the role of proton therapy in the definitive management of uveal melanoma, focusing [...] Read more.
Background/Objectives: Uveal melanoma is the most common primary intraocular malignancy in adults. Treatment options for localized, early-stage disease include enucleation, brachytherapy, and proton beam therapy. This review aims to evaluate the role of proton therapy in the definitive management of uveal melanoma, focusing on its physics, radiobiology, treatment techniques, and associated outcomes. Methods: This narrative review synthesizes current literature on proton therapy for uveal melanoma, emphasizing case selection, treatment efficacy, and side effects. Results: Proton therapy offers significant advantages for thicker uveal melanomas (over 8 mm) due to its unique physical properties, including a rapid dose fall-off that protects critical structures like the retina and optic nerve. Proton therapy may have benefits in tumor control for ocular melanomas given its increased relative biological effectiveness relative to photon therapy for these typically more radioresistant melanomas. Proton therapy may also hold special value for uveal melanomas in close proximity to the optic nerve, as patients are at high risk of visual toxicities with brachytherapy. The review discusses the efficacy of proton therapy across small, medium, and large tumors, along with strategies for improving patient survival through combined systemic therapy. Additionally, the potential of ocular reirradiation with proton therapy is addressed. Conclusions: Proton therapy is an effective treatment for uveal melanoma. It offers advantages over brachytherapy for large tumors, tumors that are close to the optic nerve or insertion of extra-ocular muscles. Full article
(This article belongs to the Special Issue Radiotherapy in Melanoma)
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Figure 1
<p>Difference in dose fall-off between photon and proton. SOBP = spread-out Bragg peak.</p>
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<p>Gantry-based PBS proton treatment plan for uveal melanoma patient (<b>a</b>–<b>c</b>). The patient was planed with four fields, including one non-coplanar beam (red arrows). The patient was treated in a supine position with a gaze fixation device (<b>d</b>). Imaging guidance includes CBCT alignment to the surrounding bones, tantalum markers, and visible anatomies (<b>e</b>,<b>f</b>). CTV = clinical target volume. CBCT = cone beam computed tomography.</p>
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<p>Considerations when choosing between proton therapy and brachytherapy.</p>
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20 pages, 5877 KiB  
Article
Black Carbon in Climate Studies: A Bibliometric Analysis of Research Trends and Topics
by Chao Chen, Yinglin Liang, Zhilong Chen, Changwu Zou and Zongbo Shi
Sustainability 2024, 16(20), 8945; https://doi.org/10.3390/su16208945 - 16 Oct 2024
Viewed by 379
Abstract
Black carbon is a short-lived climate warming agent and serves as a crucial factor influencing the climate. Numerous models, observations, and laboratory studies have been conducted to quantify black carbon’s direct or indirect impacts on the climate. Here, we applied bibliometric analysis to [...] Read more.
Black carbon is a short-lived climate warming agent and serves as a crucial factor influencing the climate. Numerous models, observations, and laboratory studies have been conducted to quantify black carbon’s direct or indirect impacts on the climate. Here, we applied bibliometric analysis to identify research trends and key topics on black carbon in the climate field. Based on the Web of Science (WOS) Core Collection database, a total of 4903 documents spanning the period from 2000 to 2023 were retrieved and screened, focusing on the topic of black carbon in the climate field, resulting in the Black-Carbon Climate Local (BCL) dataset. Our study examines the influence and trends of major countries, institutions, and authors in this field. The results show that China and the United States hold leading positions in terms of the number of publications. Based on keyword networks, the BCL dataset is segmented into six distinct research directions, and representative keywords of each direction include biomass burning, radiative forcing, air pollution, aerosol optical depth, optical properties, and biochar. This study helps to identify the current research status and trends of black carbon in the climate, highlighting main research directions and emerging topics. Full article
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Figure 1
<p>Conceptual framework of the literature retrieval methods. The asterisk (*) used as a truncation symbol used in search queries, broadening the search to include words starting with “climat”.</p>
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<p>Annual total publications from 2000 to 2023 (the black line) and annual publications of top ten countries (stacked bars).</p>
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<p>(<b>a</b>) International cooperation network, with the node size representing its total link strength, and the color representing the average citations. (<b>b</b>) Development trends in cooperation between major developed and developing countries. The green line with diamond nodes represents the proportionate link strength of USA–China to the total link strength of China, and the green line with triangular nodes represents the proportionate link strength of USA–China to the total link strength of the USA. Orange lines represent the collaboration trends between the USA and Germany, and blue lines represent those between China and India.</p>
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<p>(<b>a</b>) The yearly count of publications for the top ten institutions, (<b>b</b>) the institutional cooperation network, with the color of the links between nodes representing the time when two institutions started collaborating, and (<b>c</b>) the grouped clusters of institutions. <a href="#app1-sustainability-16-08945" class="html-app">Table S5</a> contains the full names corresponding to the institutional abbreviations.</p>
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<p>(<b>a</b>) The top ten authors by cumulative publications over time, with the size of each sphere corresponding to the number of articles, and the color intensity representing the average citation rate. (<b>b</b>) The author cooperation network, with the color of each node representing the standardized average citation of the author’s publications.</p>
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<p>(<b>a</b>) Keyword network with grouped clusters, with the node size correlated positively with the frequency of keyword occurrence, and (<b>b</b>) research trends in topics over time. Each blue sphere represents a topic, corresponding to an author keyword, with its size proportional to the keyword’s frequency of occurrence. The placement of each sphere corresponds to the median frequency distribution of the keyword’s occurrences, and the grey bars represent the first and third quartiles of the frequency distribution.</p>
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<p>Network graph of the top 5 review articles and the top 25 articles in terms of citations [<a href="#B1-sustainability-16-08945" class="html-bibr">1</a>,<a href="#B2-sustainability-16-08945" class="html-bibr">2</a>,<a href="#B6-sustainability-16-08945" class="html-bibr">6</a>,<a href="#B11-sustainability-16-08945" class="html-bibr">11</a>,<a href="#B24-sustainability-16-08945" class="html-bibr">24</a>,<a href="#B40-sustainability-16-08945" class="html-bibr">40</a>,<a href="#B49-sustainability-16-08945" class="html-bibr">49</a>,<a href="#B52-sustainability-16-08945" class="html-bibr">52</a>,<a href="#B53-sustainability-16-08945" class="html-bibr">53</a>,<a href="#B55-sustainability-16-08945" class="html-bibr">55</a>,<a href="#B56-sustainability-16-08945" class="html-bibr">56</a>,<a href="#B81-sustainability-16-08945" class="html-bibr">81</a>,<a href="#B82-sustainability-16-08945" class="html-bibr">82</a>,<a href="#B83-sustainability-16-08945" class="html-bibr">83</a>,<a href="#B84-sustainability-16-08945" class="html-bibr">84</a>,<a href="#B85-sustainability-16-08945" class="html-bibr">85</a>,<a href="#B86-sustainability-16-08945" class="html-bibr">86</a>,<a href="#B87-sustainability-16-08945" class="html-bibr">87</a>,<a href="#B88-sustainability-16-08945" class="html-bibr">88</a>,<a href="#B89-sustainability-16-08945" class="html-bibr">89</a>,<a href="#B90-sustainability-16-08945" class="html-bibr">90</a>,<a href="#B91-sustainability-16-08945" class="html-bibr">91</a>,<a href="#B92-sustainability-16-08945" class="html-bibr">92</a>,<a href="#B93-sustainability-16-08945" class="html-bibr">93</a>,<a href="#B94-sustainability-16-08945" class="html-bibr">94</a>,<a href="#B95-sustainability-16-08945" class="html-bibr">95</a>,<a href="#B96-sustainability-16-08945" class="html-bibr">96</a>,<a href="#B97-sustainability-16-08945" class="html-bibr">97</a>,<a href="#B98-sustainability-16-08945" class="html-bibr">98</a>,<a href="#B99-sustainability-16-08945" class="html-bibr">99</a>]. Each node represents an article, and articles with citation relationships are represented using the same color.</p>
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<p>Network graph of references with the highest local citations within each time slice, with the size of node positively correlated to their local citations and different colored lines represent different time periods [<a href="#B1-sustainability-16-08945" class="html-bibr">1</a>,<a href="#B2-sustainability-16-08945" class="html-bibr">2</a>,<a href="#B6-sustainability-16-08945" class="html-bibr">6</a>,<a href="#B8-sustainability-16-08945" class="html-bibr">8</a>,<a href="#B13-sustainability-16-08945" class="html-bibr">13</a>,<a href="#B21-sustainability-16-08945" class="html-bibr">21</a>,<a href="#B22-sustainability-16-08945" class="html-bibr">22</a>,<a href="#B24-sustainability-16-08945" class="html-bibr">24</a>,<a href="#B40-sustainability-16-08945" class="html-bibr">40</a>,<a href="#B49-sustainability-16-08945" class="html-bibr">49</a>,<a href="#B52-sustainability-16-08945" class="html-bibr">52</a>,<a href="#B53-sustainability-16-08945" class="html-bibr">53</a>,<a href="#B67-sustainability-16-08945" class="html-bibr">67</a>,<a href="#B82-sustainability-16-08945" class="html-bibr">82</a>,<a href="#B83-sustainability-16-08945" class="html-bibr">83</a>,<a href="#B85-sustainability-16-08945" class="html-bibr">85</a>,<a href="#B86-sustainability-16-08945" class="html-bibr">86</a>,<a href="#B89-sustainability-16-08945" class="html-bibr">89</a>,<a href="#B91-sustainability-16-08945" class="html-bibr">91</a>,<a href="#B100-sustainability-16-08945" class="html-bibr">100</a>,<a href="#B101-sustainability-16-08945" class="html-bibr">101</a>,<a href="#B102-sustainability-16-08945" class="html-bibr">102</a>,<a href="#B103-sustainability-16-08945" class="html-bibr">103</a>,<a href="#B104-sustainability-16-08945" class="html-bibr">104</a>,<a href="#B105-sustainability-16-08945" class="html-bibr">105</a>,<a href="#B106-sustainability-16-08945" class="html-bibr">106</a>,<a href="#B107-sustainability-16-08945" class="html-bibr">107</a>,<a href="#B108-sustainability-16-08945" class="html-bibr">108</a>,<a href="#B109-sustainability-16-08945" class="html-bibr">109</a>,<a href="#B110-sustainability-16-08945" class="html-bibr">110</a>,<a href="#B111-sustainability-16-08945" class="html-bibr">111</a>,<a href="#B112-sustainability-16-08945" class="html-bibr">112</a>,<a href="#B113-sustainability-16-08945" class="html-bibr">113</a>,<a href="#B114-sustainability-16-08945" class="html-bibr">114</a>].</p>
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