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18 pages, 6373 KiB  
Article
Comparisons and Analyses of Thermospheric Mass Densities Derived from Global Navigation Satellite System–Precise Orbit Determination and an Ionization Gauge–Orbital Neutral Atmospheric Detector Onboard a Spherical Satellite at 520 km Altitude
by Yujiao Jin, Xianguo Zhang, Maosheng He, Yongping Li, Xiangguang Meng, Jiangzhao Ai, Bowen Wang, Xinyue Wang and Yueqiang Sun
Remote Sens. 2025, 17(1), 98; https://doi.org/10.3390/rs17010098 - 30 Dec 2024
Viewed by 314
Abstract
Thermospheric mass densities are investigated to explore their responses to solar irradiance and geomagnetic activity during the period from 31 October to 7 November 2021. Utilizing data from the Global Navigation Satellite System (GNSS) payload and an ionization gauge mounted on the Orbital [...] Read more.
Thermospheric mass densities are investigated to explore their responses to solar irradiance and geomagnetic activity during the period from 31 October to 7 November 2021. Utilizing data from the Global Navigation Satellite System (GNSS) payload and an ionization gauge mounted on the Orbital Neutral Atmospheric Detector (OAD) payload onboard the QQ-Satellite, thermospheric mass densities are derived through two independent means: precise orbit determination (POD) and pressure measurements. For the first time, observations of these two techniques are compared and analyzed in this study to demonstrate similarities and differences. Both techniques exhibit similar spatial–temporal variations, with clear dependences on local solar time (LT). However, the hemispheric asymmetry is almost absent in simulations from the NRLMSISE-00 and DTM94 models compared with observations. At high latitudes, density enhancements of observations and simulations are shown, characterized by periodic bulge structures. In contrast, only the OAD-derived densities exhibit wave-like disturbances that propagate from two poles to lower latitudes during geomagnetic storm periods, suggesting a connection to traveling atmospheric disturbances (TADs). Over the long term, thermospheric mass densities derived from the two means of POD and the OAD show good agreements, yet prominent discrepancies emerge during specific periods and under different space-weather conditions. We propose possible interpretations as well as suggestions for utilizing these two means. Significantly, neutral winds should be considered in both methods, particularly at high latitudes and under storm conditions. Full article
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<p>(<b>a</b>) The QQ-Satellite, and (<b>b</b>) the projections of the QQ-Satellite orbits in a local solar time–latitude frame.</p>
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<p>Thermospheric mass densities at (<b>a</b>–<b>d</b>) dawn and (<b>e</b>–<b>h</b>) dusk derived from (<b>a</b>,<b>e</b>) NRLMSISE-00, (<b>b</b>,<b>f</b>) DTM94, (<b>c</b>,<b>g</b>) POD, and (<b>d</b>,<b>h</b>) OAD. The (<b>a</b>,<b>e</b>) black solid line is the daily F10.7 index, and the (<b>a</b>,<b>e</b>) black dashed line is ten times of the daily Kp index.</p>
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<p>The evolutions of (<b>a</b>) thermospheric mass densities derived from two means and (<b>b</b>) their ratios, along with the evolutions of (<b>c</b>) F10.7 and (<b>d</b>) Kp indices.</p>
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<p>Normal distributions of ratios displayed in <a href="#remotesensing-17-00098-f003" class="html-fig">Figure 3</a>b for (<b>a</b>) all data, and for three periods defined in <a href="#sec3dot2-remotesensing-17-00098" class="html-sec">Section 3.2</a>: (<b>b</b>) increasing period, (<b>c</b>) decreasing period, and (<b>d</b>) transition period.</p>
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<p>(<b>a</b>,<b>c</b>,<b>e</b>) Thermospheric mass densities derived from POD and OAD, and (<b>b</b>,<b>d</b>,<b>f</b>) their ratios. The O<sub>2</sub>, O<sub>3</sub>, O<sub>50</sub>, O<sub>51</sub>, O<sub>68</sub>, and O<sub>69</sub> indicate the accumulated numbers of the QQ-Satellite’s orbits since 31 October 2021. And the shadows represent the increasing periods.</p>
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<p>Similar plot to <a href="#remotesensing-17-00098-f005" class="html-fig">Figure 5</a>, except for different satellite orbits. (<b>a</b>,<b>c</b>,<b>e</b>) Thermospheric mass densities derived from POD and OAD, and (<b>b</b>,<b>d</b>,<b>f</b>) their ratios. And the shadows represent the decreasing periods.</p>
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<p>Similar plot to <a href="#remotesensing-17-00098-f005" class="html-fig">Figure 5</a>, except for different satellite orbits. (<b>a</b>,<b>c</b>,<b>e</b>,<b>g</b>) Thermospheric mass densities derived from POD and OAD, and (<b>b</b>,<b>d</b>,<b>f</b>,<b>h</b>) their ratios. And the shadows represent the transition periods.</p>
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<p>The evolutions of (<b>a</b>) peak densities in the orbital bulge structures from simulations and observations and their (<b>b</b>) enhancements, along with the evolution of (<b>c</b>) the AE index.</p>
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<p>Spatial distributions of peak density in bulge structures at (<b>a</b>–<b>d</b>) dawn (0–8 LT) and at (<b>e</b>–<b>h</b>) dusk (16–24 LT), derived from (<b>a</b>,<b>e</b>) NRLMSISE-00, (<b>b</b>,<b>f</b>) DTM94, (<b>c</b>,<b>g</b>) POD, and (<b>d</b>,<b>h</b>) OAD.</p>
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<p>Statistical distributions in latitudes for bulge peaks derived from (<b>a</b>) NRLMSISE-00, (<b>b</b>) DTM94, (<b>c</b>) POD, and (<b>d</b>) OAD.</p>
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<p>Ratios of OAD densities during storm periods on 3 November to 5 November relative to a quiet period on 2 November at (<b>a</b>) dawn, 4–8 LT and at (<b>b</b>) dusk, 16–20 LT.</p>
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27 pages, 3145 KiB  
Article
Optimized Frontier-Based Path Planning Using the TAD Algorithm for Efficient Autonomous Exploration
by Abror Buriboev, Andrew Jaeyong Choi and Heung Seok Jeon
Electronics 2025, 14(1), 74; https://doi.org/10.3390/electronics14010074 - 27 Dec 2024
Viewed by 313
Abstract
A novel path-planning method utilizing the trapezoid, adjacent, and distance, (TAD) characteristics of frontiers is presented in this work. The method uses the mobile robot’s sensor range to detect frontiers throughout each exploration cycle, modifying them at regular intervals to produce their parameters. [...] Read more.
A novel path-planning method utilizing the trapezoid, adjacent, and distance, (TAD) characteristics of frontiers is presented in this work. The method uses the mobile robot’s sensor range to detect frontiers throughout each exploration cycle, modifying them at regular intervals to produce their parameters. This well-thought-out approach makes it possible to choose objective points carefully, guaranteeing seamless navigation. The effectiveness and applicability of the suggested approach with respect to exploration time and distance are demonstrated by empirical validation. Results from experiments show notable gains over earlier algorithms: time consumption decreases by 10% to 89% and overall path distance for full investigation decreases by 12% to 74%. These remarkable results demonstrate the efficacy of the suggested approach and represent a paradigm change in improving mobile robot exploration in uncharted territory. This research introduces a refined algorithm and paves the way for greater efficiency in autonomous robotic exploration. This study opens the door for more effective autonomous robotic exploration by introducing an improved algorithm. Full article
(This article belongs to the Special Issue Autonomous and Intelligent Robotics)
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<p>The scheme of process.</p>
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<p>Navigation policy of Rmap algorithm: (<b>a</b>) initial state of robot; (<b>b</b>) environment scanning; (<b>c</b>) generating first rectangle; (<b>d</b>) generating second rectangle.</p>
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<p>The block scheme of proposed strategy.</p>
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<p>Proposed selection methods: (<b>a</b>) distance parameter; (<b>b</b>) adjacent parameter; (<b>c</b>) trapezoid parameter.</p>
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<p>Experimental environments: (<b>a</b>) small and cyclic environment; (<b>b</b>) small and non-cyclic environment; (<b>c</b>) wide environment.</p>
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<p>The first round of the algorithm in a cyclic simulated environment. (<b>a</b>) Trapezoid parameter; (<b>b</b>) adjacent parameter; (<b>c</b>) distance parameter.</p>
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<p>The second round of the algorithm in a cyclic simulated environment. (<b>a</b>) Trapezoid parameter; (<b>b</b>) adjacent parameter; (<b>c</b>) distance parameter.</p>
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<p>The trajectory of the robot after exploration in a small cyclic environment: (<b>a</b>) Proposed algorithm; (<b>b</b>) Alternative algorithm I; (<b>c</b>) Alternative algorithm II.</p>
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<p>The trajectory of the robot after exploration in a small non-cyclic environment: (<b>a</b>) Proposed algorithm; (<b>b</b>) Alternative algorithm I; (<b>c</b>) Alternative algorithm II.</p>
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<p>The trajectory of the robot in a wide environment: (<b>a</b>) Proposed algorithm; (<b>b</b>) Alternative algorithm I; (<b>c</b>) Alternative algorithm II.</p>
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<p>Memory efficiency of mapping scheme: (<b>a</b>) Grid mapping; (<b>b</b>) Rmap mapping.</p>
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<p>Number of turning points during the experiments.</p>
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<p>Traveled distance during the experiments.</p>
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<p>Exploration time of robot.</p>
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19 pages, 4716 KiB  
Article
Evaluating a Solar–Biogas Hybrid Renewable Power Plant by Heating the Anaerobic Digester Using the Rejected Heat of Rankine Cycle in Idlib, Syria
by Ayman Abdul Karim Alhijazi, Ahmad Firas Alloush and Radwan A. Almasri
Appl. Sci. 2024, 14(24), 12027; https://doi.org/10.3390/app142412027 - 23 Dec 2024
Viewed by 715
Abstract
This research includes modeling and studying the performance improvement of a hybrid renewable energy power plant using the modeling software Greenius in Idlib, Syria. The system consists of solar parabolic trough collectors and an anaerobic digester for generating biogas. This study included a [...] Read more.
This research includes modeling and studying the performance improvement of a hybrid renewable energy power plant using the modeling software Greenius in Idlib, Syria. The system consists of solar parabolic trough collectors and an anaerobic digester for generating biogas. This study included a practical experiment for generating biogas using five identical digesters operating at five different temperatures. The raw material was a mixture of 81% food waste and 19% human waste, and average temperatures were as follows: 49.6, 45.9, 43.5, 37.5, and 33.2 °C. Modeling operations were conducted for each case, as well as for the case corresponding to the highest growth rate of methanogenic bacteria theoretically. The modeling processes were conducted at 11 different values for the storage capacity from Full Load Hours (FLHs) 0 to 10 and by varying the solar multiple factor (SM) from 1 to 8. This study showed that when operating as a net solar plant, the lowest value for the cost of produced electricity (LCOE) was 0.1785 EUR/kWh at FLHs = 5 h and SM = 2, while the annual electricity production was 25.21 GWh. The maximum annual electricity production was 48.66 GWh, achieved at FLHs = 10 h, SM = 8, and the LCOE = 0.2896 EUR/kWh. It is possible to obtain annual electrical energy of 39.7 GWh, which was about 82% of the maximum possible annual production, at a cost of LCOE = 0.1864 EUR/kWh, which is less than 5% higher than the lowest possible cost. When operating as a hybrid plant with an annual capacity factor of 1 (full load), it is discovered that the lowest value of energy produced is in the third scenario at tAD = 43.52 °C and tc = 63.5 °C, with FLHs = 0 h and SM = 1, with the LCOE = 0.1283 EUR/kWh. Full article
(This article belongs to the Topic Multi-Energy Systems, 2nd Edition)
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<p>Experiment of biogas production from five batch digesters at different temperatures.</p>
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<p>Ranges of growth for biogas-producing methanogenic bacteria and points of action for the experiment [<a href="#B24-applsci-14-12027" class="html-bibr">24</a>].</p>
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<p>Annual net electricity generated by the solar plant, with variations in SM at different FLHs (storage capacities).</p>
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<p>LCOE generated by the solar plant, with variations in SM at different FLHs (storage capacities).</p>
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<p>LCOE produced by the hybrid plant at different FLHs and SM for case 1 (reference) (t<sub>AD</sub> = 33.17 °C; t<sub>c</sub> = 41.5 °C).</p>
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<p>LCOE generated by the hybrid station for case 2 (t<sub>AD</sub> = 37.5 °C; t<sub>c</sub> = 57.5 °C).</p>
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<p>LCOE produced by the hybrid station for case 3 (t<sub>AD</sub> = 43.52 °C; t<sub>c</sub> = 63.5 °C).</p>
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<p>LCOE produced by the hybrid station for case 4 (t<sub>AD</sub> = 45.87 °C; t<sub>c</sub> = 65 °C).</p>
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<p>LCOE produced by the hybrid station for case 5 (t<sub>AD</sub> = 49.6 °C; t<sub>c</sub> = 70 °C).</p>
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<p>LCOE produced by the hybrid power plant for case six (t<sub>AD</sub> = 62 °C; t<sub>c</sub> = 80 °C).</p>
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14 pages, 7106 KiB  
Article
Numerical Investigation and Device Architecture Optimization of Sb2Se3 Thin-Film Solar Cells Using SCAPS-1D
by Chung-Kuan Lai and Yi-Cheng Lin
Materials 2024, 17(24), 6203; https://doi.org/10.3390/ma17246203 - 19 Dec 2024
Viewed by 328
Abstract
Antimony selenide (Sb2Se3) shows promise for photovoltaics due to its favorable properties and low toxicity. However, current Sb2Se3 solar cells exhibit efficiencies significantly below their theoretical limits, primarily due to interface recombination and non-optimal device architectures. [...] Read more.
Antimony selenide (Sb2Se3) shows promise for photovoltaics due to its favorable properties and low toxicity. However, current Sb2Se3 solar cells exhibit efficiencies significantly below their theoretical limits, primarily due to interface recombination and non-optimal device architectures. This study presents a comprehensive numerical investigation of Sb2Se3 thin-film solar cells using SCAPS-1D simulation software, focusing on device architecture optimization and interface engineering. We systematically analyzed device configurations (substrate and superstrate), hole-transport layer (HTL) materials (including NiOx, CZTS, Cu2O, CuO, CuI, CuSCN, CZ-TA, and Spiro-OMeTAD), layer thicknesses, carrier densities, and resistance effects. The substrate configuration with molybdenum back contact demonstrated superior performance compared with the superstrate design, primarily due to favorable energy band alignment at the Mo/Sb2Se3 interface. Among the investigated HTL materials, Cu2O exhibited optimal performance with minimal valence-band offset, achieving maximum efficiency at 0.06 μm thickness. Device optimization revealed critical parameters: series resistance should be minimized to 0–5 Ω-cm2 while maintaining shunt resistance above 2000 Ω-cm2. The optimized Mo/Cu2O(0.06 μm)/Sb2Se3/CdS/i-ZnO/ITO/Al structure achieved a remarkable power conversion efficiency (PCE) of 21.68%, representing a significant improvement from 14.23% in conventional cells without HTL. This study provides crucial insights for the practical development of high-efficiency Sb2Se3 solar cells, demonstrating the significant impact of device architecture optimization and interface engineering on overall performance. Full article
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<p>Schematic diagram of the proposed solar-cell structure: (<b>a</b>) p-n substrate configuration, (<b>b</b>) p-n superstrate configuration, (<b>c</b>) n-p-p<sup>+</sup> substrate configuration.</p>
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<p>Energy band diagrams of different device configurations: (<b>a</b>) substrate and (<b>b</b>) superstrate structures.</p>
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<p>Performance characteristics of different device configurations: (<b>a</b>) current–voltage curves and (<b>b</b>) external quantum efficiency spectra.</p>
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<p>Energy band diagrams of various HTL materials in the device structure.</p>
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<p>PCE comparison of different HTL materials.</p>
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<p>Relationship between Cu<sub>2</sub>O HTL thickness and device performance.</p>
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<p>Relationship between Cu<sub>2</sub>O HTL shallow acceptor density and device performance.</p>
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<p>Effect of shallow acceptor density on Sb<sub>2</sub>Se<sub>3</sub> solar-cell efficiency at different Cu<sub>2</sub>O HTL thicknesses.</p>
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<p>Numerical analysis of series and parallel resistance on device performance. (<b>a</b>) Open-circuit voltage (Voc) variation, (<b>b</b>) Short-circuit current density (Jsc) response, (<b>c</b>) Fill Factor (FF) dependence, and (<b>d</b>) Device efficiency changes with respect to series and parallel resistance.</p>
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29 pages, 14607 KiB  
Article
Development of Dopant-Free N,N′-Bicarbazole-Based Hole Transport Materials for Efficient Perovskite Solar Cells
by Muhammad Adnan, Hira Naz, Muzammil Hussain, Zobia Irshad, Riaz Hussain and Hany W. Darwish
Int. J. Mol. Sci. 2024, 25(23), 13117; https://doi.org/10.3390/ijms252313117 - 6 Dec 2024
Viewed by 543
Abstract
Efficient and stable hole-transport material (HTM) is essential for enhancing the efficiency and stability of high-efficiency perovskite solar cells (PSCs). The commonly used HTMs such as spiro-OMeTAD need dopants to produce high efficiency, but those dopants degrade the perovskite film and cause instability. [...] Read more.
Efficient and stable hole-transport material (HTM) is essential for enhancing the efficiency and stability of high-efficiency perovskite solar cells (PSCs). The commonly used HTMs such as spiro-OMeTAD need dopants to produce high efficiency, but those dopants degrade the perovskite film and cause instability. Therefore, the development of dopant-free N,N′-bicarbazole-based HTM is receiving huge attention for preparing stable, cost-effective, and efficient PSCs. Herein, we designed and proposed seven distinct small-molecule-based HTMs (B1–B7), which are synthesized and do not require dopants to fabricate efficient PSCs. To design this new series, we performed synergistic side-chain engineering on the synthetic reference molecule (B) by replacing two methylthio (–SCH3) terminal groups with a thiophene bridge and electron-withdrawing acceptor. The enhanced phase inversion geometry of the proposed molecules resulted in reduced energy gaps and better electrical, optical, and optoelectronic properties. Density functional theory (DFT) and time-dependent DFT simulations have been used to study the precise photo-physical and optoelectronic properties. We also looked into the effects of holes and electrons and the materials’ structural and photovoltaic properties, including light harvesting energy, frontier molecular orbital, transition density matrix, density of states, electron density matrix, and natural population analysis. Electron density difference maps identify the interfacial charge transfer from the donor to the acceptor through the bridge, and natural population analysis measures the amount of charge on each portion of the donor, bridge, and acceptor, which most effectively represents the role of the end-capped moieties in facilitating charge transfer. Among these designed molecules, the B6 molecule has the greatest absorbance (λmax of 444.93 nm in dichloromethane solvent) and a substantially shorter optical band gap of 3.93 eV. Furthermore, the charge transfer analysis reveals superior charge transfer with improved intrinsic characteristics. Furthermore, according to the photovoltaic analysis, the designed (B1–B7) HTMs have the potential to provide better fill factor and open-circuit voltages, which will ultimately increase the power conversion efficiency (PCE) of PSCs. Therefore, we recommend these molecules for the next-generation PSCs. Full article
(This article belongs to the Special Issue Advancements in Perovskite and Tandem Solar Cell Technologies)
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<p>Newly crafted B1–B7 HTM series adopting side chain modification strategy along with synthetic reference B.</p>
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<p>Comparative analysis of experimental and theoretical λ<sub>max</sub> of synthetic reference B in dichloromethane solvent at 6 DFT functionals.</p>
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<p>Optimized architectures of bicarbazole-based synthetic reference (<b>B</b>) and designed (<b>B1</b>–<b>B7</b>) HTM series.</p>
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<p>Dispersion of HOMO-LUMO charge density and computed energy gap of synthetic reference B and newly designed B1–B7 HTM series at B3LYP.</p>
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<p>Distribution of HOMO-LUMO densities along with energy gap of synthetic reference (<b>B</b>) and designed (<b>B1</b>–<b>B7</b>) HTM series in DOS plots.</p>
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<p>Distribution of HOMO-LUMO densities along with energy gap of synthetic reference (<b>B</b>) and designed (<b>B1</b>–<b>B7</b>) HTM series in DOS plots.</p>
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<p>The computed absorbance of UV-visible in (<b>a</b>) dichloromethane and (<b>b</b>) the gas phase of the recently developed bicarbazole-based (B1–B7) HTM series and synthetic reference B.</p>
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<p>Comparative analysis of (<b>a</b>) chemical softness and chemical hardness, (<b>b</b>) I.P and E.A, (<b>c</b>) visualization of total amount of charge transfer, (<b>d</b>) illustration of comparative analysis of binding energy (E<sub>b</sub>), E<sub>g</sub> and E<sub>opt</sub>, (<b>e</b>) comparative presentation of dipole moment in solvent and gas phase, and (<b>f</b>) comparative illustration of E<sub>x</sub> and <span class="html-italic">f</span><sub>OS</sub> of synthetic reference (B) and designed B1–B7 HTM series.</p>
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<p>Visualization of MEP plots of bicarbazole-based newly developed (<b>B1</b>–<b>B7</b>) HTM series along with synthetic reference (<b>B</b>).</p>
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<p>TDM maps of developed bicarbazole-based (<b>B1</b>–<b>B7</b>) HTM series and synthetic reference (<b>B</b>).</p>
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<p>NPA visualization of newly designed bicarbazole-based (<b>B1</b>–<b>B7</b>) HTM series and synthetic reference (<b>B</b>).</p>
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<p>Standard PC<sub>70</sub>BM acceptor polymer correlates with the V<sub>OC</sub> of the synthetic reference (<b>B</b>) and modeled (<b>B1</b>–<b>B7</b>) HTM series.</p>
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<p>Comparative analysis of LHE and <span class="html-italic">f</span><sub>OS</sub> (<b>a</b>) in dichloromethane solvent and (<b>b</b>) in gas phase. (<b>c</b>) Visualization of reorganizational energies and (<b>d</b>) T<sub>(hole)</sub> and T<sub>(electron)</sub> in a 2D graph of all designed HTM series B1–B7 and synthetic reference B.</p>
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<p>EDD plots of bicarbazole-based synthetic reference (<b>B</b>) and newly (<b>B1</b>–<b>B7</b>) HTM series.</p>
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<p>(<b>a</b>) Optimal combination of B6 donor and PC<sub>70</sub>BM acceptor, (<b>b</b>) HOMO-LUMO dispersion configuration of B6 donor and PC<sub>70</sub>BM acceptor.</p>
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20 pages, 4185 KiB  
Review
Distalization Methods for Maxillary Molars Utilizing Temporary Anchorage Devices (TADs): A Narrative Review
by Fırat Oğuz, Samet Özden and Orhan Cicek
Appl. Sci. 2024, 14(23), 11333; https://doi.org/10.3390/app142311333 - 5 Dec 2024
Viewed by 877
Abstract
Class II malocclusions, characterized by the mesial positioning of the maxillary molars relative to the mandibular molars, are among the most frequently encountered orthodontic issues. One of the widely adopted non-extraction approaches for addressing this malocclusion is maxillary molar distalization, which has been [...] Read more.
Class II malocclusions, characterized by the mesial positioning of the maxillary molars relative to the mandibular molars, are among the most frequently encountered orthodontic issues. One of the widely adopted non-extraction approaches for addressing this malocclusion is maxillary molar distalization, which has been utilized for decades to create space within the dental arch. Historically, extraoral appliances such as headgear were commonly employed. However, with technological advancements, intraoral distalization devices, particularly those incorporating temporary anchorage devices (TADs), have gained prominence due to their compact size, not being visible externally, and improved patient acceptance. These appliances offer significant advantages, including being less invasive compared with extraction-based camouflage treatments, being more readily accepted by patients due to the absence of extraction spaces, and not requiring the complex biomechanical principles involved in extraction-based methods. TADs have revolutionized distalization techniques by providing superior anchorage control, reducing treatment duration, and offering a straightforward, patient-friendly application. The purpose of this comprehensive narrative review is to focus specifically on intraoral distalization techniques utilizing TADs, summarizing their efficacy and outcomes in the management of Class II malocclusions as reported in clinical studies over the past three decades. Full article
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<p>Different types of headgear: (<b>A</b>); Cervical headgear, (<b>B</b>); Occipital headgear, (<b>C</b>); Combination headgear.</p>
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<p>Transpalatal arch.</p>
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<p>Distal Jet appliance.</p>
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<p>K-Loop appliance.</p>
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<p>Carriere Distalizer.</p>
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<p>Pendulum appliance.</p>
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<p>Beneslider appliance.</p>
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<p>Modified pendulum appliance.</p>
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<p>Modified Keles Slider.</p>
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<p>Buccal miniscrew-assisted distalization applications.</p>
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<p>Infrazygomatic miniscrew-assisted distalization applications: (<b>A</b>); A power arm-assisted distalization, (<b>B</b>); Distalization with direct force application to the teeth.</p>
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<p>Distalization with clear aligners.</p>
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14 pages, 1617 KiB  
Article
Effects of Route Complexity and Lighting on Route Following in Alzheimer’s Disease and Posterior Cortical Atrophy
by Amelia M. Carton, Chris Frost, Teresa Poole, Biao Yang, Ian D. McCarthy, Tatsuto Suzuki, Catherine Holloway, Robin Serougne, Derrick Boampong, Mary Pat Sullivan, Nick Tyler, Sebastian Crutch and Keir X. X. Yong
Brain Sci. 2024, 14(12), 1217; https://doi.org/10.3390/brainsci14121217 - 30 Nov 2024
Viewed by 776
Abstract
Objective: Visual processing deficits arising in dementia are associated with particular functional disability. This study aimed to investigate the effects of the built environment on mobility and navigation in people with dementia-related visual loss. Methods: Participants with posterior cortical atrophy (PCA; “visual-variant Alzheimer’s”; [...] Read more.
Objective: Visual processing deficits arising in dementia are associated with particular functional disability. This study aimed to investigate the effects of the built environment on mobility and navigation in people with dementia-related visual loss. Methods: Participants with posterior cortical atrophy (PCA; “visual-variant Alzheimer’s”; n = 11), typical Alzheimer’s disease (tAD; N = 10), and controls (n = 13) repeatedly walked down routes within a simplified real-world setting. Participant groups were of comparable age and gender. Routes were of different complexity (straight, U-shaped, and S-shaped), overhead lighting levels (low and high) and with or without a dynamic LED (light-emitting diode) cue (trial n = 24). Ratios of walking times for each experimental condition (each complex route vs the straight route, high lighting vs low, and LED cue vs no cue) were compared between participant groups. Kinematic measures were produced from a total of 10,813 steps using wearable inertial measurement units (IMUs). Results: The walking time ratios relating to route complexity were higher in the PCA group than in controls: 30.3% (95% CI [13.5%, 49.5%] higher for U-shaped vs straight and 31.9% [21.1%, 55.3%] for S-shaped vs straight, averaged over other conditions). The analogous results relating to route complexity for the tAD group were intermediate between those for the PCA and control groups. There was no evidence that walking time ratios differed according to lighting level or the presence of the LED cue. Conclusions: Findings contribute to evidence-based design for dementia-friendly environments, emphasizing consequences of environmental complexity for functional independence and mobility in people with dementia-related visual loss. Findings inform recommendations for environmental design to support the independence of individuals with dementia. Full article
(This article belongs to the Special Issue Language Dysfunction in Posterior Cortical Atrophy)
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<p>(<b>A</b>) Diagram depicting straight route, U-shaped route, and S-shaped route and (<b>B</b>) straight route without (left) and with LED cue (right).</p>
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<p>Scatter plots of observed completion time for each participant group under different route conditions (straight, U-shaped, and S-shaped). Plots show individual completion times per participant per trial regardless of other conditions (lighting, cue, and direction). Patients within each group are ranked left to right in order of mean completion time.</p>
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<p>Walking paths with step-time outliers. Displayed for control, tAD, and PCA groups for U- and S-shaped routes under dynamic LED cue conditions (no cue and cue) by overhead lighting conditions (high and low). Dotted lines indicate trials without detected step-time outliers. Step-time outliers are localized using markers, with greater marker size corresponding to longer step times.</p>
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19 pages, 2315 KiB  
Article
Role of the Egr2 Promoter Antisense RNA in Modulating the Schwann Cell Chromatin Landscape
by Margot Martinez Moreno, David Karambizi, Hyeyeon Hwang, Kristen Fregoso, Madison J. Michles, Eduardo Fajardo, Andras Fiser and Nikos Tapinos
Biomedicines 2024, 12(11), 2594; https://doi.org/10.3390/biomedicines12112594 - 13 Nov 2024
Viewed by 871
Abstract
Background: Schwann cells (SCs) and their plasticity contribute to the peripheral nervous system’s capacity for nerve regeneration after injury. The Egr2/Krox20 promoter antisense RNA (Egr2-AS) recruits chromatin remodeling complexes to inhibit Egr2 transcription following peripheral nerve injury. Methods: RNA-seq and ATAC-seq [...] Read more.
Background: Schwann cells (SCs) and their plasticity contribute to the peripheral nervous system’s capacity for nerve regeneration after injury. The Egr2/Krox20 promoter antisense RNA (Egr2-AS) recruits chromatin remodeling complexes to inhibit Egr2 transcription following peripheral nerve injury. Methods: RNA-seq and ATAC-seq were performed on control cells, Lenti-GFP-transduced cells, and cells overexpressing Egr2-AS (Lenti-AS). Egr2 AS-RNA was cloned into the pLVX-DsRed-Express2-N1 lentiviral expression vector (Clontech, Mountain View, CA, USA), and the levels of AS-RNA expression were determined. Ezh2 and Wdr5 were immunoprecipitated from rat SCs and RT-qPCR was performed against AS-Egr2 RNA. ChIP followed by DNA purification columns was used to perform qPCR for relevant promoters. Hi-C, HiC-DC+, R, Bioconductor, and TOBIAS were used for significant and differential loop analysis, identifications of COREs and CORE-promotor loops, comparisons of TF activity at promoter sites, and identification of site-specific TF footprints. OnTAD was used to detect TADs, and Juicer was used to identify A/B compartments. Results: Here we show that a Neuregulin-ErbB2/3 signaling axis mediates binding of the Egr2-AS to YY1Ser184 and regulates its expression. Egr2-AS modulates the chromatin accessibility of Schwann cells and interacts with two distinct histone modification complexes. It binds to EZH2 and WDR5 and enables targeting of H3K27me3 and H3K4me3 to promoters of Egr2 and C-JUN, respectively. Expression of the Egr2-AS results in reorganization of the global chromatin landscape and quantitative changes in the loop formation and contact frequency at domain boundaries exhibiting enrichment for AP-1 genes. In addition, the Egr2-AS induces changes in the hierarchical TADs and increases transcription factor binding scores on an inter-TAD loop between a super-enhancer regulatory hub and the promoter of mTOR. Conclusions: Our results show that Neuregulin-ErbB2/3-YY1 regulates the expression of Egr2-AS, which mediates remodeling of the chromatin landscape in Schwann cells. Full article
(This article belongs to the Special Issue Epigenetic Regulation and Its Impact for Medicine)
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<p>Expression of the EGR2-AS in SCs resulted in gene expression changes. (<b>A</b>) Western blot using total YY1 and phosphoserine antibodies following immunoprecipitation with a total YY1 antibody in non-injured sciatic nerves or 12 h after sciatic nerve transection. An isotype matched IgG was used as control. Sciatic nerve transection inhibits serine phosphorylation of YY1. (<b>B</b>) ELISA using our specific pSer184-YY1 antibody showed significant reduction in pSer184-YY1 12 h after sciatic nerve transection compared to contralateral uninjured nerves. Significance was calculated with a Student’s <span class="html-italic">t</span>-test (N = 4–8, * <span class="html-italic">p</span> &lt; 0.005, dF = 10). (<b>C</b>) Inhibition of pErbB2-Y1248 with PKI-166 for 1 h resulted in significant inhibition of pSer184-YY1. Significance was calculated with a Student’s <span class="html-italic">t</span>-test (N = 4, * <span class="html-italic">p</span> &lt; 0.05, dF = 6). (<b>D</b>) YY1 RIP followed by qPCR for the detection of the Egr2-AS shows increased binding to YY1 after inhibition of ErbB2 with PKI-166. Significance was calculated with a Student’s <span class="html-italic">t</span>-test (N = 4, * <span class="html-italic">p</span> &lt; 0.05, dF = 4). (<b>E</b>) Volcano plot showing log-fold changes in gene expression following expression of the EGR2-AS in SCs. A total of 450 genes were significantly upregulated and 111 downregulated compared to control SCs. (<b>F</b>) Clustering of upregulated and downregulated genes in SCs expressing the EGR2-AS compared to control SCs (n = 2). (<b>G</b>) The downregulated genes were enriched for ERK1/2, ERBB, and MAPK-regulated biological processes, while the upregulated genes were enriched in cell cycle regulators and mTOR-regulated processes.</p>
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<p>The EGR2-AS recruits EZH2 and WDR5 and enables targeting of H3K27me3 and H3K4me3 on <span class="html-italic">EGR2</span> and <span class="html-italic">C-JUN</span> promoters. (<b>A</b>) RIP experiments after the EGR2-AS expression in SCs, with antibodies against EZH2 and WDR5. Significance was calculated with a Student’s <span class="html-italic">t</span>-test (for the WDR5 RIP, N = 13, five biological replicates, * <span class="html-italic">p</span> = 0.040, dF = 27. For the EZH2 RIP, N = 9, three biological replicates, * <span class="html-italic">p</span> = 0.026, dF = 16). (<b>B</b>) ChIP experiments following expression of the EGR2-AS in SCs and its effect on H3K27me3 binding on <span class="html-italic">EGR2</span> promoter and H3K4me3 binding on C-JUN promoter, respectively. Incubation of cells with oligonucleotide GapmeRs against the EGR2-AS inhibits the AS-RNA-induced binding of H3K27me3 and H3K4me3 on the EGR2 and C-JUN promoters. For the H3K27me3 ChIP, N = 13, five biological replicates, and one technical replicate, * <span class="html-italic">p</span> = 0.020, dF = 23, ** <span class="html-italic">p</span> = 0.0094, dF = 22. For the H3K4me3 ChIP, N = 15, five biological replicates and one technical replicate, * <span class="html-italic">p</span> = 0.049, dF = 18, ** <span class="html-italic">p</span> = 0.0012, dF = 23.</p>
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<p>Expression of the EGR2-AS induces chromatin remodeling and increased binding of the AP-1/JUN TF family. (<b>A</b>) Sample correlation analysis based on ATAC-seq peak location and intensity. PCA result of all samples is plotted as a 2D graph with PC1 as <span class="html-italic">X</span>-axis and PC2 as <span class="html-italic">Y</span>-axis. Note that variable 1 is strong (98%) enough to divide into the two hierarchical groups. (<b>B</b>) Scatterplot comparing ATAC-seq signal intensities across all open chromatin sites between the Lenti-AS group compared to the Lenti-GFP group. Significant changes correspond to an FDR-adjusted <span class="html-italic">p</span> value below 0.05 and an absolute log2 fold change above 1.5. The diagonal is shown as a gray area and is a reference indicating regions with no change in chromatin accessibility. Colored dots indicate differences in accessibility. (<b>C</b>) GO analysis among genes located in the vicinity of regions with increased chromatin accessibility after the EGR2-AS overexpression. (<b>D</b>) Volcano plot of differential TF footprint score versus the significance (logpval) revealed that expression of the EGR2-AS induces significant increase in the footprint of AP-1, CTCF, ATF/CREB, CNC, EGR, MiT/FTF, Rfx, and KLF TF families.</p>
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<p>Hi-C following expression of the EGR2-AS in SCs shows 3D genome reorganization. (<b>A</b>–<b>C</b>) Histograms showing the significant total loops via the HiCDCPlus software version 1.0.0. Static loops (not gained or lost) are gray, lost loops are green, and gained loops are red (log2FC cutoff = 1, <span class="html-italic">p</span> &lt; 0.05). (<b>D</b>) Detail of the Hi-C maps on the chromosomes 10 and 5 showing examples of gained and lost loops, respectively. The annotated loop anchors to the promoter of genes are represented by their main pathways (plotted as odds ratios by their corresponding <span class="html-italic">p</span> values).</p>
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<p>Reconstruction of long-range interactions between COREs and associated promoters. (<b>A</b>) Sub-setting of COREs based on transcription factor footprints, with 40% of COREs occupied by at least 1 TF footprint. (<b>B</b>) Hi-C revealed that 157 out of 1563 COREs form long distance interactions with promoters. (<b>C</b>) Pathway enrichment analysis of CORE-interacting genes. (<b>D</b>) Example of CORE–promoter interactions at the mTOR genomic region at chromosome 20. COREs are colored by samples: red and blue for the AS-RNA and GFP control, respectively. Reference genome is color-coded for expressed and non-expressed genes as black and grey, respectively.</p>
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<p>Expression of the EGR2-AS results in changes between the mTOR promoter and its cis-regulatory elements. (<b>A</b>) Change in TF binding scores of all TFs at nearest and mid-distance to TAD boundary loop anchors following expression of the EGR2-AS (farthest to TAD boundary loop anchor could not be analyzed due to very low occupancy). (<b>B</b>) TF families that experienced the greatest increase in binding scores following expression of the AS-RNA. (<b>C</b>) Depiction of changes at mTOR harboring TAD and formation of a new interdomain boundary. (<b>D</b>) Bar-plots of normalized gene expression of mTOR in control and AS-RNA expressing cells (<span class="html-italic">p</span>.adj = 0.03).</p>
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12 pages, 3029 KiB  
Article
Skeletal Anchorage as a Therapeutic Alternative for Mandibular Second Molar Impaction: A Prospective Case–Control Study
by Martina Mezio, Federica Altieri and Michele Cassetta
Dent. J. 2024, 12(11), 359; https://doi.org/10.3390/dj12110359 - 11 Nov 2024
Cited by 1 | Viewed by 809
Abstract
Background: The treatment of mandibular second molar (MM2) impaction presents a challenge for orthodontists and requires a surgical–orthodontic approach. This study aims to compare the effectiveness of two techniques for treating impacted MM2: a traditional technique using brass wire and a technique employing [...] Read more.
Background: The treatment of mandibular second molar (MM2) impaction presents a challenge for orthodontists and requires a surgical–orthodontic approach. This study aims to compare the effectiveness of two techniques for treating impacted MM2: a traditional technique using brass wire and a technique employing skeletal anchorage. Methods: Twelve MM2 with mesio-angular impaction, with an inclination angle between 25° and 40° and an impaction depth between 4 and 10 mm, were selected and randomly divided into two treatment groups. Patients in Group A were treated using the traditional brass wire technique, while those in Group B underwent treatment with a skeletal anchoring technique that utilized a miniscrew positioned in the retromolar region and an elastic sling chain. For both groups, treatment time and the influence of the disimpaction technique on oral health-related quality of life (OHRQoL) were evaluated using the short-form Oral Health Impact Profile (OHIP-14). Results: The results indicated an average treatment time of 168.67 ± 52.32 days for Group A and 76 ± 10.17 days for Group B, with a statistically significant difference (p-value = 0.0002). Regarding the impact on the patients’ OHRQoL, Student’s t-test did not reveal a statistically significant difference between the two groups at 3 and 7 days of follow-up. Conclusions: Both techniques are considered effective for the treatment of impacted MM2 (angulation 25–40°, depth 4–10 mm). The use of skeletal anchorage significantly reduces treatment times without negatively affecting OHRQoL. The results of this study should be confirmed by further studies with larger sample sizes. Full article
(This article belongs to the Section Preventive Dentistry)
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<p>Orthopanoramic evaluation of angle (<b>A</b>) and depth (<b>B</b>) of impacted MM2.</p>
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<p>Surgical procedure with brass wire used in Group A subjects. (<b>A</b>): mucoperiosteal flap and the exposure of the impacted second molar; (<b>B</b>): the exposure of the third molar; (<b>C</b>): the germectomy of the third molar; (<b>D</b>): the application of brass wire; (<b>E</b>): suture.</p>
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<p>Surgical procedure using skeletal anchorage in Group B subjects. (<b>A</b>): mucoperiosteal flap and the exposure of the impacted second molar; (<b>B</b>): the exposure of the third molar; (<b>C</b>): the germectomy of the third molar; (<b>D</b>): miniscrew insertion; (<b>E</b>): the application of orthodontic brackets on the buccal and lingual surface of the mandibular second molar; (<b>F</b>): the application of the elastic chain.</p>
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<p>Pre-treatment (<b>A</b>) and post-treatment (<b>B</b>) X-ray of Group A subjects treated with brass wire; pre-treatment (<b>C</b>) and post-treatment (<b>D</b>) X-ray of Group B subjects treated with skeletal anchorage.</p>
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<p>(<b>A</b>): Mandibular second molar after disimpaction; (<b>B</b>,<b>C</b>): removal of the miniscrew; (<b>D</b>): suture.</p>
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<p>Italian version of OHIP-14.</p>
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14 pages, 1088 KiB  
Article
Predicting Additional Metastases in Axillary Lymph Node Dissection After Neoadjuvant Chemotherapy: Ratio of Positive/Total Sentinel Nodes
by Isaac Cebrecos, Ines Torras, Helena Castillo, Claudia Pumarola, Sergi Ganau, Carla Sitges, Sergi Vidal-Sicart, Francesco Schettini, Esther Sanfeliu, Ignacio Loinaz, Marta Garcia, Gabriela Oses, Meritxell Molla, Maria Vidal and Eduard Mension
Cancers 2024, 16(21), 3638; https://doi.org/10.3390/cancers16213638 - 29 Oct 2024
Viewed by 659
Abstract
Background/Objectives: The aim of the study was to determine the clinical value of the sentinel lymph node ratio (SLN-R) in predicting additional positive lymph nodes during axillary lymph node dissection (ALND) in breast cancer patients following neoadjuvant chemotherapy (NAC). Methods: A cross-sectional study [...] Read more.
Background/Objectives: The aim of the study was to determine the clinical value of the sentinel lymph node ratio (SLN-R) in predicting additional positive lymph nodes during axillary lymph node dissection (ALND) in breast cancer patients following neoadjuvant chemotherapy (NAC). Methods: A cross-sectional study was performed at a single institution evaluating data from 1521 BC patients. Inclusion criteria comprised cT1/cT4, cN0/cN1 status with positive post-NAC axillary staging by SLN/TAD, respectively, and subsequent ALND. Results: The study included 118 patients, divided into two groups based on the presence or absence of additional node metastasis at ALND: 39 in the residual disease group (RD) and 79 in the non-residual disease group (nRD). Univariate logistic regression analysis of SLN-R was conducted to assess its predictive value, yielding an odds ratio (OR) of 7.79 (CI 1.92–29.5, p = 0.003). An SLN-R cut-off point of <0.35 was identified using ROC curve analysis, with a false-negative rate of 10.2%, as a predictor for no additional metastasis at ALND following post-NAC SLN/TAD positivity. Conclusions: The study concludes that SLN-R is a valuable predictor for determining the omission of ALND in cases where SLN/TAD is positive after NAC. This metric, in combination with other clinical variables, could help develop a nomogram to spare patients from ALND. Full article
(This article belongs to the Special Issue Rare Breast Tumors)
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<p>Flowchart of patients according to initial cN status undergoing NAC. Bold boxes refer to excluded patients. List of abbreviations: BC—breast cancer. HCB—Hospital Clinic of Barcelona. NAC—neoadjuvant chemotherapy. <span class="html-italic">c</span>—clinical. SLN—sentinel lymph node biopsy. TAD—targeted axillary dissection. ALND—axillary lymph node dissection. US—ultrasound. MRI—magnetic resonance imaging. FNAC—fine-needle aspiration cytology. CNB—core needle biopsy.</p>
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<p>Patterns of SLN, SLN-R and non-SLN involvement at ALND. (<b>A</b>) Number of non-SLN affected at ALND, according to cN status at diagnosis and size of SLN metastasis in the overall population. (<b>B</b>) Pattern of non-SLN involvement after ALND, according to SLN-R cut-off ≤ 0.35. (<b>C</b>) Number of non-SLN affected at ALND, according to SLN-R cut-off ≤ 0.35 and size of SLN metastasis. (<b>D</b>) Number of non-SLN affected at ALND, according to SLN-R cut-off ≤ 0.35 within each IHC subtype. List of abbreviations: nRD—non-residual disease; RD—residual disease; IHC—immunohistochemistry; SLN—sentinel lymph node; ALND—axillary lymph node dissection; ITC—isolated tumor cells; Micro—micrometastases; Macro—macrometastases; HR—hormone receptor; + positive; − negative; TN—triple negative breast cancer. <span class="html-italic">p</span> values refer to Chi-squared tests.</p>
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28 pages, 8442 KiB  
Review
Advancements in Carbazole-Based Sensitizers and Hole-Transport Materials for Enhanced Photovoltaic Performance
by Ayagoz Ibrayeva, Urker Abibulla, Zulfiya Imanbekova, Bakhytzhan Baptayev, Robert J. O’Reilly and Mannix P. Balanay
Molecules 2024, 29(21), 5035; https://doi.org/10.3390/molecules29215035 - 25 Oct 2024
Viewed by 1307
Abstract
Carbazole-based molecules play a significant role in dye-sensitized solar cells (DSSCs) due to their advantageous properties. Carbazole derivatives are known for their thermal stability, high hole-transport capability, electron-rich (p-type) characteristics, elevated photoconductivity, excellent chemical stability, and commercial availability. This review focuses on DSSCs, [...] Read more.
Carbazole-based molecules play a significant role in dye-sensitized solar cells (DSSCs) due to their advantageous properties. Carbazole derivatives are known for their thermal stability, high hole-transport capability, electron-rich (p-type) characteristics, elevated photoconductivity, excellent chemical stability, and commercial availability. This review focuses on DSSCs, including their structures, working principles, device characterization, and the photovoltaic performance of carbazole-based derivatives. Specifically, it covers compounds such as 2,7-carbazole and indolo[3,2-b]carbazole, which are combined with various acceptors like benzothiadiazole, thiazolothiazole, diketopyrrolopyrrole, and quinoxaline, as reported over the past decade. The review will also outline the relationship between molecular structure and power-conversion efficiencies. Its goal is to summarize recent research and advancements in carbazole-based dyes featuring a D-π-A architecture for DSSCs. Additionally, this review addresses the evolution of carbazole-based hole-transport materials (HTMs), which present a promising alternative to the costly spiro-OMeTAD. We explore the development of novel HTMs that leverage the unique properties of carbazole derivatives to enhance charge transport, stability, and overall device performance. By examining recent innovations and emerging trends in carbazole-based HTMs, we provide insights into their potential to reduce costs and improve the efficiency of DSSCs. Full article
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<p>Dye-sensitized solar cell structure and energy diagram. Adapted with permission from reference [<a href="#B3-molecules-29-05035" class="html-bibr">3</a>]. Copyright (2018), John Wiley and Sons.</p>
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<p>(<b>a</b>) Schematic representation of a D-π-A structure featuring a carbazole-based dye, where Et denotes ethyl and Oc denotes octyl groups. (<b>b</b>) Structural depiction of carbazole, highlighting atom numbering and the positions most commonly substituted.</p>
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<p>Structure of the carbazole-based molecules with D-π-A architecture (<b>D1</b> to <b>D35</b>) as sensitizers for DSSCs.</p>
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<p>Optimized structures of dyes D1 to D4, illustrating their HOMO and LUMO frontier molecular orbitals. The accompanying values indicate the HOMO and LUMO energy levels, along with the calculated band gap (E<sub>g</sub>). Adapted with permission from reference [<a href="#B39-molecules-29-05035" class="html-bibr">39</a>]. Copyright (2023), Elsevier.</p>
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<p>Structure of the carbazole-based molecules with D-D-π-A architecture (<b>D36</b> to <b>D39</b>) as sensitizers for DSSCs.</p>
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<p>(<b>a</b>) Chemical structure of the <b>D40</b> dye. (<b>b</b>) Frontier molecular orbitals illustrate the HOMO-to-LUMO transition state of the <b>D40</b>/(TiO<sub>2</sub>)<sup>70</sup> system, with green indicating holes and purple representing electrons. Adapted with permission from reference [<a href="#B57-molecules-29-05035" class="html-bibr">57</a>]. Copyright (2014), American Chemical Society.</p>
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<p>Structure of the carbazole-based molecules with D-π-D-A (<b>D41</b>), D-(π-D-A)<sub>2</sub> (<b>D42</b>), and D-(π-D-A)<sub>3</sub> (<b>D43</b>) architectures as sensitizers for DSSCs.</p>
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<p>(<b>a</b>) Structure of the carbazole-based molecules with D-A-π-A architecture (<b>D44</b> to <b>D47</b>) as sensitizers for DSSCs. (<b>b</b>) Frontier molecular orbital of the dyes. Adapted with permission from reference [<a href="#B58-molecules-29-05035" class="html-bibr">58</a>]. Copyright (2014), Elsevier.</p>
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<p>Two-dimensional structure, optimized geometry, and its corresponding HOMO and LUMO orbitals of dyes <b>D48</b> to <b>D50</b>. Adapted with permission from reference [<a href="#B59-molecules-29-05035" class="html-bibr">59</a>]. Copyright (2020), Elsevier.</p>
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<p>Enhancement PCE by different architectures.</p>
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<p>Euler diagram of the carbazole-based sensitizers.</p>
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<p>(<b>a</b>) Classification of solid-state electrolytes for ssDSSC applications. (<b>b</b>) Schematic representation of the commonly used device architecture used in ssDSSCs.</p>
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<p>Structures for (<b>a</b>) spiro-OMeTAD, (<b>b</b>) P3HT, and (<b>c</b>) PEDOT as commonly used HTMs in ssDSSCs.</p>
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<p>Structures for (<b>a</b>) MPII, (<b>b</b>) LiTFSI, and (<b>c</b>) tBP as commonly used additives in ssDSSCs.</p>
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<p>Structures of carbazole-based HTMs used in ssDSSCs.</p>
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<p>Structures of the sensitizers used in ssDSSCs.</p>
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<p>Euler diagram for HTMs.</p>
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15 pages, 793 KiB  
Article
Pre-Conception Androgen Levels and Obstetric Outcomes in Polycystic Ovary Syndrome: A Single-Center Retrospective Study
by Mónika Orosz, Fanni Borics, Dávid Rátonyi, Beáta Vida, Szilvia Csehely, Attila Jakab, Luca Lukács, Rudolf Lampé and Tamás Deli
Diagnostics 2024, 14(19), 2241; https://doi.org/10.3390/diagnostics14192241 - 8 Oct 2024
Viewed by 982
Abstract
Hyperandrogenism is a determining diagnostic factor for PCOS. If pregnancy is conceived, it is considered high-risk due to several potential complications, but the correlation between pre-pregnancy androgen levels and obstetric outcomes is poorly characterized. Objective: To determine if pre-pregnancy serum androgen concentrations and [...] Read more.
Hyperandrogenism is a determining diagnostic factor for PCOS. If pregnancy is conceived, it is considered high-risk due to several potential complications, but the correlation between pre-pregnancy androgen levels and obstetric outcomes is poorly characterized. Objective: To determine if pre-pregnancy serum androgen concentrations and androgen indexes differed when certain obstetric and neonatal outcomes appeared in PCOS. Methods: A single-center, retrospective study was carried out. All patients were treated between 2012 and 2019. A total of 73 patients had all the endocrine and obstetric data available. Pre-pregnancy hormone levels (total testosterone-T, androstenedione-AD, DHEAS (dehydroepiandrosterone sulfate), SHBG (sex-hormone-binding globulin), and TSH (thyroid-stimulating hormone) were collected, and T/SHBG, AD/SHBG, DHEAS/SHBG, T/AD indexes were calculated and compared. Results: When miscarriage was present in the history, significantly elevated pre-pregnancy AD levels were observed. Higher pre-pregnancy AD level was noted in PCOS patients delivering female newborns as compared to males. Additionally, a higher T/AD ratio was associated with subsequent preterm delivery, but significance was lost after age adjustment. Maternal age at delivery had a significant negative correlation with pre-pregnancy DHEAS levels and DHEAS/SHBG ratio. Pre-pregnancy SHBG displayed a significant negative correlation, while pre-pregnancy androgen/SHBG ratios exhibited positive correlations with both birth weight and birth weight percentile. Conclusions: Based on our data, AD and the T/AD ratio emerge as distinctive factors in certain outcomes, implying a potential specific role of altered 17-β-HSD (17β-hydroxysteroid dehydrogenase) enzyme activity, possibly influencing offspring outcomes. The pre-pregnancy T/SHBG ratio exhibits a potentially stronger correlation with fetal growth potential compared to SHBG alone. DHEAS and maternal age at delivery are strongly correlated in PCOS patients. Full article
(This article belongs to the Special Issue Clinical Prognostic and Predictive Biomarkers, 2nd Edition)
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<p>Flow chart of patient enrollment and follow-up.</p>
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<p>Correlations of pre-pregnancy SHBG with birth weight (<b>a</b>), pre-pregnancy T/SHBG ratio with birth weight percentile (<b>b</b>), pre-pregnancy DHEAS with maternal age at delivery (<b>c</b>), and maternal BMI with birth weight percentile (<b>d</b>).</p>
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18 pages, 4797 KiB  
Article
coiTAD: Detection of Topologically Associating Domains Based on Clustering of Circular Influence Features from Hi-C Data
by Drew Houchens, H. M. A. Mohit Chowdhury and Oluwatosin Oluwadare
Genes 2024, 15(10), 1293; https://doi.org/10.3390/genes15101293 - 30 Sep 2024
Viewed by 1327
Abstract
Background/Objectives: Topologically associating domains (TADs) are key structural units of the genome, playing a crucial role in gene regulation. TAD boundaries are enriched with specific biological markers and have been linked to genetic diseases, making consistent TAD detection essential. However, accurately identifying TADs [...] Read more.
Background/Objectives: Topologically associating domains (TADs) are key structural units of the genome, playing a crucial role in gene regulation. TAD boundaries are enriched with specific biological markers and have been linked to genetic diseases, making consistent TAD detection essential. However, accurately identifying TADs remains challenging due to the lack of a definitive validation method. This study aims to develop a novel algorithm, termed coiTAD, which introduces an innovative approach for preprocessing Hi-C data to improve TAD prediction. This method employs a proposed “circle of influence” (COI) approach derived from Hi-C contact matrices. Methods: The coiTAD algorithm is based on the creation of novel features derived from the circle of influence in input contact matrices, which are subsequently clustered using the HDBSCAN clustering algorithm. The TADs are extracted from the clustered features based on intra-cluster interactions, thereby providing a more accurate method for identifying TADs. Results: Rigorous tests were conducted using both simulated and real Hi-C datasets. The algorithm’s validation included analysis of boundary proteins such as H3K4me1, RNAPII, and CTCF. coiTAD consistently matched other TAD prediction methods. Conclusions: The coiTAD algorithm represents a novel approach for detecting TADs. At its core, the circle-of-influence methodology introduces an innovative strategy for preparing Hi-C data, enabling the assessment of interaction strengths between genomic regions. This approach facilitates a nuanced analysis that effectively captures structural variations within chromatin. Ultimately, the coiTAD algorithm enhances our understanding of chromatin organization and offers a robust tool for genomic research. The source code for coiTAD is publicly available, and the URL can be found in the Data Availability Statement section. Full article
(This article belongs to the Collection Feature Papers in Bioinformatics)
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<p>coiTAD’s pipeline. This figure details coiTAD’s entire pipeline in a graphic table. It details the process of creating features, employing HDBSCAN, identifying TADs from given clusters, evaluating the quality of those TADs, and finally receiving the best radius result.</p>
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<p>coiTAD’s feature generation. The contact matrix is taken in by coiTAD. For each radius, there are features along every point of the diagonal that contribute to the final feature vector. These contact points are stored in the order top left, top center, top right, right, left, bottom left, bottom center, and bottom right, for each point on the diagonal. See semi-circle section for details on that order.</p>
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<p>PCA/non-PCA results on simulated data (<b>a</b>,<b>b</b>). Comparison of full-circle (FC) and semi-circle (SC) non-PCA and PCA results across low- and high-noise simulated matrices. Numbers indicate the PCA retention level for a specified result. (<b>a</b>) low-noise result (4-noise) (<b>b</b>) high-noise result (12 noise).</p>
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<p>Semi-circle vs. full-circle results on simulated data (<b>a</b>–<b>e</b>). Comparison of semi-circle (SC) feature against full-circle feature (FC) on CASPIAN simulated matrices (<b>a</b>) 4-noise results (<b>b</b>) 8-noise results (<b>c</b>) 12-noise results (<b>d</b>) 16-noise results (<b>e</b>) 20-noise results.</p>
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<p>Comparison of TAD callers on simulated 4-noise and 12-noise datasets. TAD callers were analyzed based on numbers of TADs identified, size distribution of called TADs, and the average measure of concordance across all callers. (<b>a</b>) Number of TADs identified; (<b>b</b>) size distribution of TADs; (<b>c</b>) average measure of concordance across callers.</p>
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<p>Comparison of callers on hESC chromosome 19. Comparison of multiple TAD callers on raw hESC chr19 Hi-C dataset from Dixon et al. (<b>a</b>) Comparison of TAD size across callers; (<b>b</b>) one-versus-all comparison of shared boundaries with coiTAD; (<b>c</b>) numbers of identified TADs across callers; (<b>d</b>) PCA Comparison Plot on TAD callers’ results.</p>
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<p>Comparison of callers on HESC chromosome 19 at 10 kb. Comparison of multiple TAD callers on raw hESC chr19 Hi-C dataset from Dixon et al. (<b>a</b>) Comparison of TAD size across callers; (<b>b</b>) one-versus-all comparison of shared boundaries with coiTAD; (<b>c</b>) numbers of identified TADs across callers.</p>
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<p>Comparison of callers on HESC chromosome 1. Comparison of multiple TAD callers on raw hESC chr1 Hi-C dataset from Dixon et al. (<b>a</b>) Comparison of TAD size across callers; (<b>b</b>) one-versus-all comparison of shared boundaries with coiTAD; (<b>c</b>) numbers of identified TADs across callers.</p>
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<p>Enrichment analysis across callers on HESC chromosome 19. Enrichment analysis of active histone modification marks and CTCF binding sites at domain boundaries on hESC chromosome 19. Callers assessed included coiTAD, TopDom, ClusterTAD, HiCSeg, and Spectral. (<b>a</b>) H3K4me1 peaks across callers; (<b>b</b>) H3k27ac peaks across callers; (<b>c</b>) CTCF peaks across callers; (<b>d</b>) RNAPIII peaks across callers; (<b>e</b>) H3K4me3 peaks across callers.</p>
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<p>Enrichment analysis across TAD callers on GM12878 chromosome 19 at 10 Kb resolution. Enrichment analysis of active histone modification marks and CTCF binding sites at domain boundaries. (<b>a</b>) CTCF; (<b>b</b>) H3K4me1; (<b>c</b>) H3K4me3; (<b>d</b>) H3K27ac; and (<b>e</b>) RNAPII peak analysis across TAD callers (coiTAD, ClusterTAD, HiCSeg, Spectral, and TopDom).</p>
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<p>Computational performance benchmarking of coiTAD with other TAD callers. We analyzed running time and peak memory consumption of five TAD callers including coiTAD, and coiTAD showed a result comparable to those of the other TAD callers.</p>
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14 pages, 9614 KiB  
Case Report
Management of Class III Malocclusion with Microimplant-Assisted Rapid Palatal Expansion (MARPE) and Mandible Backward Rotation (MBR): A Case Report
by Heng-Ming Chang, Chao-Tzu Huang, Chih-Wei Wang, Kai-Long Wang, Shun-Chu Hsieh, Kwok-Hing Ho and Yu-Jung Liu
Medicina 2024, 60(10), 1588; https://doi.org/10.3390/medicina60101588 - 27 Sep 2024
Viewed by 1612
Abstract
Class III malocclusion prevalence varies significantly among racial groups, with the highest prevalence observed in southeast Asian populations at 15.80%. These malocclusions often involve maxillary retrognathism, mandibular prognathism, or both, accompanied by maxillary constriction and crossbites. Comprehensive treatment should address anteroposterior, transverse, and [...] Read more.
Class III malocclusion prevalence varies significantly among racial groups, with the highest prevalence observed in southeast Asian populations at 15.80%. These malocclusions often involve maxillary retrognathism, mandibular prognathism, or both, accompanied by maxillary constriction and crossbites. Comprehensive treatment should address anteroposterior, transverse, and vertical imbalances. Microimplant-assisted rapid palatal expansion (MARPE) has shown high success rates for transverse maxillary expansion in late adolescents and adults, presenting a viable alternative to surgically-assisted rapid palatal expansion (SARPE). This case report aims to demonstrate the successful treatment of a young adult female with borderline Class III malocclusion using MARPE and mandibular backward rotation (MBR) techniques. A 21-year-old female presented with a Class III skeletal pattern, anterior/posterior crossbites, and mild dental crowding. Despite her concerns about a concave facial profile, the patient declined orthognathic surgery due to a negative experience reported by a friend. The treatment plan included MARPE to correct maxillary transverse deficiency and MBR to alleviate Class III malocclusion severity. Lower arch distalization was performed using temporary anchorage devices (TADs) on the buccal shelves, and Class II elastics were used to maintain MBR and prevent retroclination of the lower labial segment during anterior retraction. Significant transverse correction was achieved, and the severity of Class III malocclusion was reduced. The lower dentition was effectively retracted, and the application of Class II elastics helped maintain MBR. The patient’s final facial profile was harmonious, with well-aligned dentition and a stable occlusal relationship. The treatment results were well-maintained after one year. The MARPE with MBR approach presents a promising alternative for treating borderline Class III cases, particularly for patients reluctant to undergo orthognathic surgery. This case report highlights the effectiveness of combining MARPE and MBR techniques in achieving stable and satisfactory outcomes in the treatment of Class III malocclusion. Full article
(This article belongs to the Section Dentistry and Oral Health)
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<p>The initial facial portraits and intraoral photographs show the patient with a mildly concave profile, an average Frankfort-mandibular plane angle, and mandibular prognathism (<b>a</b>–<b>d</b>). Intraoral images reveal a Class III malocclusion with reverse overjet and anterior open bite (<b>e</b>–<b>g</b>). The maxilla appears relatively constricted in comparison to the mandible, with mild crowding observed in both arches (<b>h</b>,<b>i</b>).</p>
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<p>Initial Orthopantomographic (OPG) and lateral cephalometric radiographs and tracing. Orthopantomographic (OPG) radiographic examination revealed no significant caries or pathological conditions, and the patient exhibited good periodontal status. The lower right second molar had undergone endodontic treatment with no apical lesion present (<b>a</b>). Cephalometric radiograph and tracing showed a skeletal Class III relationship with an average Frankfort-mandibular plane angle (<b>b</b>,<b>c</b>).</p>
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<p>Treatment mechanics of Class II elastic (yellow ellipse) causing occlusal plane backward rotation. Class II elastics can simultaneously promote extrusion of the lower molars and upper incisors, resulting in occlusal plane backward rotation. This effect improves upper incisor display and helps maintain the backward rotation of the mandible.</p>
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<p>Pretreatment cone beam computed tomography (CBCT) images and measures. Inter-furcation distance of upper first molars was 44.8 mm, and inter-furcation distance of lower first molars was 49.6 mm. According to Yonsei Transverse Index (YTI), about 5 mm of maxillary expansion was needed. (Red line: Sagittal plane; green line: Coronal plane; blue line: Axial plane).</p>
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<p>Pre- and post-expansion CBCT images and measures. Molar inclinations were not worsened after MARPE. Expansion pattern was fairly parallel from anterior to posterior on the axial view. (Red line: Sagittal plane; green line: Coronal plane; blue line: Axial plane).</p>
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<p>Post-MARPE facial portraits (<b>a</b>–<b>d</b>), intra-oral photos (<b>e</b>–<b>i</b>) and lateral cephalometric radiograph (<b>j</b>). A median diastema was present as a result of mid-palatal suture opening. The mandible underwent backward rotation due to changes in molar occlusion.</p>
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<p>Intra-oral photos (<b>a</b>–<b>e</b>) of anterior retraction stage. During this period, a mild reverse curve of Spee was added to prevent further retroclination of the lower incisors during lower arch distalization.</p>
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<p>Mandible backward rotation stage (MBR) facial portraits and intra-oral photos. Facial portraits show a reduction in chin prominence and a more harmonious facial profile (<b>a</b>–<b>d</b>). Intraoral photographs demonstrate lower arch distalization using NiTi coil springs anchored by TADs, assisted by Class II elastics from the mandibular molars to the maxillary anterior hooks on both sides (<b>e</b>–<b>i</b>). This approach aimed to enhance molar extrusion and maintain the mandible in a backward position.</p>
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<p>Final facial portraits and intra-oral photos. Facial portraits show a Class I skeletal pattern with a harmonious facial profile (<b>a</b>–<b>d</b>). A full-crown smile with an ideal smile arc was achieved. Intraoral photographs demonstrate good dental alignment, solid interdigitation, and proper overjet and overbite (<b>e</b>–<b>i</b>).</p>
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<p>Final orthopantomographic (OPG) and lateral cephalometric radiographs and tracing. Good root parallelism was achieved, with no significant root resorption observed (<b>a</b>). Lateral cephalometric radiographs and tracings demonstrate a skeletal Class I relationship with reduced chin projection. Both the upper and lower incisors show proper inclination (<b>b</b>,<b>c</b>).</p>
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<p>One-year-review facial portraits and intra-oral photos. The Class I skeletal pattern and harmonious facial profile were maintained (<b>a</b>–<b>d</b>). Good dental alignment, solid interdigitation, and proper overjet and overbite were also preserved (<b>e</b>–<b>i</b>).</p>
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<p>Cephalometric tracing comparisons and superimposition.</p>
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15 pages, 2172 KiB  
Article
Characterization of Peptide Profiles and the Hypoallergenic and High Antioxidant Activity of Whey Protein Hydrolysate Prepared Using Different Hydrolysis Modes
by Qiang Cui, Yuting Li, Tingli Li, Jie Yu, Guanghui Shen, Xiaomeng Sun, Man Zhou and Zhiqing Zhang
Foods 2024, 13(18), 2978; https://doi.org/10.3390/foods13182978 - 20 Sep 2024
Cited by 1 | Viewed by 1339
Abstract
Food proteins and peptides are generally considered a source of dietary antioxidants. The aim of this study was to investigate the antioxidant activity, allergenicity, and peptide profiles of whey protein hydrolysates (WPHs) using different hydrolysis methods. The results demonstrated that the degrees of [...] Read more.
Food proteins and peptides are generally considered a source of dietary antioxidants. The aim of this study was to investigate the antioxidant activity, allergenicity, and peptide profiles of whey protein hydrolysates (WPHs) using different hydrolysis methods. The results demonstrated that the degrees of hydrolysis of the hydrolysates with one-step (O-AD) and two-step (T-AD) methods reached 16.25% and 17.64%, respectively. The size exclusion chromatography results showed that the O-AD had a higher content of >5 and <0.3 kDa, and the distribution of peptide profiles for the two hydrolysates was significantly different. Furthermore, 5 bioactive peptides and 15 allergenic peptides were identified using peptidomics. The peptide profiles and the composition of the master proteins of the O-AD and T-AD were different. The DPPH and ABTS radical scavenging abilities of WPHs were measured, and hydrolysates were found to exhibit a strong radical scavenging ability after being treated using different hydrolysis methods. An enzyme-linked immunosorbent assay showed that the sensitization of WPHs was significantly reduced. This study may provide useful information regarding the antioxidant properties and allergenicity of WPHs. Full article
(This article belongs to the Special Issue Novel Processing and Quality Assurance of Milk and Milk Products)
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<p>DH (<b>A</b>) and SDS-PAGE (<b>B</b>) of WPI and WPHs. (MW: standard protein; Control: whey protein isolate; A: Alcalase group; O-AD: Alcalase–Protease A 2SD by one-step; T-AD: Alcalase–Protease A 2SD by two-step). Different letters indicate significant differences between samples of different concentrations (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>The molecular weight distributions of WPI and WPHs. (<b>A</b>) milk protein; (<b>B</b>) hydrolysates of alcalase; (<b>C</b>) T-AD; (<b>D</b>) O-AD; (<b>E</b>) distribution of the molecular weight of the O-AD and T-AD. 0–0.3 kDa, 0.3–0.5 kDa, 0.5–1 kDa, 1–3 kDa, 3–5 kDa, &gt;5 kDa.</p>
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<p>Venn diagram showing the type of peptide composition in WPHs. (<b>A</b>) peptides identified in the T-AD and O-AD; (<b>B</b>) master access proteins of the T-AD and O-AD; (<b>C</b>) molecular mass distribution of peptides identified in the T-AD and O-AD.</p>
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<p>Peptide profiles of the identified peptides of WPHs, including bovine progestagen-associated endometrial protein (A0A3Q1LYE8) (<b>A</b>), Shisa family member 6 (A0A3Q1M188) (<b>B</b>), bovine κ-casein (A0A140T8A9) (<b>C</b>), and albumin (A0A140T879) (<b>D</b>). The height and intensity of the green bars correspond to the count of peptides and the sum of the peptide intensities overlapping this position.</p>
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<p>Antioxidant activities of WPI and WPHs. (<b>A</b>) DPPH radical scavenging activity; (<b>B</b>) ABTS radical scavenging activity. All data are mean ± S.D. values. Different letters indicate significant differences between samples of different concentrations (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>Antioxidant activities of WPI and WPHs. (<b>A</b>) DPPH radical scavenging activity; (<b>B</b>) ABTS radical scavenging activity. All data are mean ± S.D. values. Different letters indicate significant differences between samples of different concentrations (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>IgE binding (<b>A</b>) and IgG binding (<b>B</b>) of WPI and WPHs determined by indirect competitive ELISA. ANOVA was used to determine statistical significance, *** <span class="html-italic">p</span> &lt; 0.001.</p>
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