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Search Results (1,355)

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Keywords = human-in-the-loop

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23 pages, 1403 KiB  
Review
Loop Extrusion Machinery Impairments in Models and Disease
by Anastasiya Ryzhkova, Ekaterina Maltseva, Nariman Battulin and Evelyn Kabirova
Cells 2024, 13(22), 1896; https://doi.org/10.3390/cells13221896 - 17 Nov 2024
Viewed by 318
Abstract
Structural maintenance of chromosomes (SMC) complexes play a crucial role in organizing the three-dimensional structure of chromatin, facilitating key processes such as gene regulation, DNA repair, and chromosome segregation. This review explores the molecular mechanisms and biological significance of SMC-mediated loop extrusion complexes, [...] Read more.
Structural maintenance of chromosomes (SMC) complexes play a crucial role in organizing the three-dimensional structure of chromatin, facilitating key processes such as gene regulation, DNA repair, and chromosome segregation. This review explores the molecular mechanisms and biological significance of SMC-mediated loop extrusion complexes, including cohesin, condensins, and SMC5/6, focusing on their structure, their dynamic function during the cell cycle, and their impact on chromatin architecture. We discuss the implications of impairments in loop extrusion machinery as observed in experimental models and human diseases. Mutations affecting these complexes are linked to various developmental disorders and cancer, highlighting their importance in genome stability and transcriptional regulation. Advances in model systems and genomic techniques have provided deeper insights into the pathological roles of SMC complex dysfunction, offering potential therapeutic avenues for associated diseases. Full article
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Figure 1
<p>Composition of the loop extrusion protein complexes. (<b>a</b>) A dimer of SMC proteins and a kleisin protein (RAD21, CAP-H, CAP-H2, or NSE4) form a tripartite ring. HEAT (SA1 or SA2, CAP-D2, CAP-D3, CAP-G, CAP-G2) or kite (NSE1, NSE3) subunits bind to a kleisin. (<b>b</b>) Additional proteins regulate whether a complex is bound to chromatin. An interplay between NIPBL/MAU2 and PDS5/WAPL provides a dynamic balance of extruding cohesin, with ESCO1 facilitating PDS5 binding to cohesin via SMC3 acetylation and HDAC8 limiting it. Similarly, M18BP1 protein facilitates condensin II binding to chromatin, while MCPH1 restricts it.</p>
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<p>Dynamics of cohesin and condensins in cell cycle.</p>
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<p>Distribution of LOEUF score for genes involved in SMC complexes. Blue violin plot shows the distribution of LOEUF scores for all human genes from the gnomAD v4.1 database. The red line marks the threshold of LOEUF score &lt; 0.6 for genes that are essential for human cell viability.</p>
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15 pages, 8780 KiB  
Article
A Lightweight, Centralized, Collaborative, Truncated Signed Distance Function-Based Dense Simultaneous Localization and Mapping System for Multiple Mobile Vehicles
by Haohua Que, Haojia Gao, Weihao Shan, Xinghua Yang and Rong Zhao
Sensors 2024, 24(22), 7297; https://doi.org/10.3390/s24227297 - 15 Nov 2024
Viewed by 301
Abstract
Simultaneous Localization And Mapping (SLAM) algorithms play a critical role in autonomous exploration tasks requiring mobile robots to autonomously explore and gather information in unknown or hazardous environments where human access may be difficult or dangerous. However, due to the resource-constrained nature of [...] Read more.
Simultaneous Localization And Mapping (SLAM) algorithms play a critical role in autonomous exploration tasks requiring mobile robots to autonomously explore and gather information in unknown or hazardous environments where human access may be difficult or dangerous. However, due to the resource-constrained nature of mobile robots, they are hindered from performing long-term and large-scale tasks. In this paper, we propose an efficient multi-robot dense SLAM system that utilizes a centralized structure to alleviate the computational and memory burdens on the agents (i.e. mobile robots). To enable real-time dense mapping of the agent, we design a lightweight and accurate dense mapping method. On the server, to find correct loop closure inliers, we design a novel loop closure detection method based on both visual and dense geometric information. To correct the drifted poses of the agents, we integrate the dense geometric information along with the trajectory information into a multi-robot pose graph optimization problem. Experiments based on pre-recorded datasets have demonstrated our system’s efficiency and accuracy. Real-world online deployment of our system on the mobile vehicles achieved a dense mapping update rate of ∼14 frames per second (fps), a onboard mapping RAM usage of ∼3.4%, and a bandwidth usage of ∼302 KB/s with a Jetson Xavier NX. Full article
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<p>Overview of the SLAM system architecture. Each robotic agent (e.g., a mobile robot) runs real-time visual inertial odometry, maintaining a local TSDF map of limited size and a communication module to send data to the server. The server performs non-time-critical, memory-heavy, and computationally expensive tasks: map management, place recognition, pose graph optimization, and map fusion.</p>
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<p>Structure of the global pose graph: the red circles indicate submap nodes (poses), the black lines indicate odometry constraints, the green lines indicate registration constraints, and the red lines indicate loop closure constraints.</p>
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<p>Comparisons of the TSDF mapping performance in terms of TSDF update time, TSDF error, and ESDF error utilizing the Cow&amp;Lady Dataset [<a href="#B1-sensors-24-07297" class="html-bibr">1</a>] and the EuRoC Dataset [<a href="#B2-sensors-24-07297" class="html-bibr">2</a>]. We compare each method under different voxel sizes.</p>
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<p>Collaborative dense mapping results of two agents utilizing the EuRoC Dataset [<a href="#B2-sensors-24-07297" class="html-bibr">2</a>]. (<b>a</b>) Dense mapping result of agent 1 in MH_01 sequence, (<b>b</b>) dense mapping result of agent 2 in MH_03 sequence, (<b>c</b>) merged global map of MH_01 and MH_03.</p>
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<p>Real-world centralized collaborative multi-robot dense SLAM system. (<b>a</b>) The agent, which is a resource-constrained mobile robot. (<b>b</b>) The whole system with two agents and one server.</p>
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<p>Online collaborative SLAM with two agents (mobile robots) utilizing a centralized architecture in a large office building. The above two pictures depict the SLAM results of a single agent. The right picture illustrates the collaborative SLAM result; the yellow line and the green line represent the trajectories of Agent 1 and Agent 2.</p>
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<p>Online collaborative SLAM with two agents (mobile robots) in the same indoor room with obstacles. The yellow line and the green line represent the trajectories of Agent 1 and Agent 2.</p>
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17 pages, 47728 KiB  
Article
Accurate Feature Extraction from Historical Geologic Maps Using Open-Set Segmentation and Detection
by Aaron Saxton, Jiahua Dong, Albert Bode, Nattapon Jaroenchai, Rob Kooper, Xiyue Zhu, Dou Hoon Kwark, William Kramer, Volodymyr Kindratenko and Shirui Luo
Geosciences 2024, 14(11), 305; https://doi.org/10.3390/geosciences14110305 - 13 Nov 2024
Viewed by 311
Abstract
This study presents a novel AI method for extracting polygon and point features from historical geologic maps, representing a pivotal step for assessing the mineral resources needed for energy transition. Our innovative method involves using map units in the legends as prompts for [...] Read more.
This study presents a novel AI method for extracting polygon and point features from historical geologic maps, representing a pivotal step for assessing the mineral resources needed for energy transition. Our innovative method involves using map units in the legends as prompts for one-shot segmentation and detection in geological feature extraction. The model, integrated with a human-in-the-loop system, enables geologists to refine results efficiently, combining the power of AI with expert oversight. Tested on geologic maps annotated by USGS and DARPA for the AI4CMA DARPA Challenge, our approach achieved a median F1 score of 0.91 for polygon feature segmentation and 0.73 for point feature detection when such features had abundant annotated data, outperforming current benchmarks. By efficiently and accurately digitizing historical geologic map, our method promises to provide crucial insights for responsible policymaking and effective resource management in the global energy transition. Full article
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<p>Example of data visualization: This figure illustrates a sample dataset embedded within a comprehensive map. It includes the following components: 1. Main Map Content: Displays the area containing key features of interest. 2. Corner Coordinate: Typically located at the corner of the map content for georeferencing purposes. 3. Text Information: Provides metadata such as map location and geological age. 4. Map Legend Area: Contains a list of map units along with their descriptive text. 5. Segmentation Map: Shows an example of extracted polygon features using the map unit “Qal” as the query key.</p>
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<p>(<b>a</b>) A geologic map sample with the map content area and legend area highlighted in red. The original map is overlaid with polygonal features to emphasize the discontinuity and the varying shapes and sizes of these features. (<b>b</b>) An illustration of the patch-wise segmentation model using map unit as the prompt. (<b>c</b>) Congregated results after the patch-wise segmentation model inference and restitching.</p>
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<p>(<b>a</b>) The uppermost plot depicts a geologic map featuring a legend with six symbol items, which are displayed as a red box in the upper-middle region; these symbols are almost indistinguishable when lumped together. The accompanying JSON file on the right-hand side documents the names and coordinates of each legend item. The bottom section showcases two additional maps with legends marked in red boxes. (<b>b</b>) The inconsistent symbology of legend items among maps in the training, validation, and testing dataset.</p>
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<p>Flowchart illustrates the entire steps of the processing flow.</p>
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<p>Model performance on legend map unit extraction. (<b>a</b>) Visualization of the extracted map unit on patch images. (<b>b</b>) Precision–Recall curve to illustrate the trade-off between precision and recall for different thresholds.</p>
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<p>(<b>a</b>–<b>c</b>) Model performance on example patched image. This visualization includes patch image, legend, predicted segmentation mask, and ground truth (GT) segmentation mask.</p>
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<p>Model performance on polygon feature extraction after aggregating all polygon and point features across the entire map. (<b>a</b>) Visualization of the raw map; (<b>b</b>) visualization of the extracted features; (<b>c</b>,<b>d</b>) zoom-in plot for better visualization. Different colors represents different point features.</p>
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<p>(<b>a</b>,<b>b</b>) The model’s performance in validation data for various types of legend items. The columns from left to right are (1) patchified image, (2) resized legend item, (3) model predicted annotation (red circle) (4) ground truth annotation (blue circle).</p>
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<p>Model performance on an entire map; red circle represents the model prediction, and blue circle represents the ground truth. (<b>a</b>) Model performance for predicting symbol ’3_pt’, (<b>b</b>) zoom-in plot for better visualization.</p>
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25 pages, 12861 KiB  
Article
Comparative Phylogeography of Two Specialist Rodents in Forest Fragments in Kenya
by Alois Wambua Mweu, Kenneth Otieno Onditi, Laxman Khanal, Simon Musila, Esther Kioko and Xuelong Jiang
Life 2024, 14(11), 1469; https://doi.org/10.3390/life14111469 - 12 Nov 2024
Viewed by 374
Abstract
The fragmented forests of the Kenya highlands, known for their exceptional species richness and endemism, are among the world’s most important biodiversity hotspots. However, detailed studies on the fauna of these ecosystems—especially specialist species that depend on moist forests, which are particularly threatened [...] Read more.
The fragmented forests of the Kenya highlands, known for their exceptional species richness and endemism, are among the world’s most important biodiversity hotspots. However, detailed studies on the fauna of these ecosystems—especially specialist species that depend on moist forests, which are particularly threatened by habitat fragmentation—are still limited. In this study, we used mitochondrial genes (cytochrome b and the displacement loop) and a nuclear marker (retinol-binding protein 3) to investigate genetic and morphological diversity, phylogenetic associations, historical divergence, population dynamics, and phylogeographic patterns in two rodent species—the soft-furred mouse (Praomys jacksoni) and the African wood mouse (Hylomyscus endorobae)—across Kenya’s forest landscapes. We found a complex genetic structure, with P. jacksoni exhibiting greater genetic diversity than H. endorobae. The Mt. Kenya P. jacksoni populations are significantly genetically different from those in southwestern forests (Mau Forest, Kakamega Forest, and Loita Hills). In contrast, H. endorobae presented no observable biogeographic structuring across its range. The genetic diversity and geographic structuring patterns highlighted selectively strong effects of forest fragmentation and differing species’ ecological and evolutionary responses to these landscape changes. Our findings further underscore the need for expanded sampling across Kenya’s highland forests to better understand species’ changing diversity and distribution patterns in response to the impacts of human-mediated habitat changes. These insights are critical for informing conservation strategies to preserve biodiversity better in this globally important region. Full article
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<p>Distribution maps of <span class="html-italic">Praomys jacksoni</span> and <span class="html-italic">Hylomyscus endorobae</span> across their known distributions<span class="html-italic">;</span> (<b>a</b>) shows the field survey sampling sites in Kenya [red-outlined circles with a red plus sign] and (<b>b</b>) shows the occurrences of these species based on the International Union for Conservation of Nature (IUCN) Red List ranges and geolocated point-occurrence records from the Global Biodiversity Information Facility (GBIF). Grayscale shading in both plots represents elevation with darker shades corresponding to higher elevations. The blue shade in ‘b’ represents the ocean. See the legend for other labeling details.</p>
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<p>Morphological differentiation of the Kenyan <span class="html-italic">Praomys jacksoni</span> and <span class="html-italic">H. endorobae</span> samples from different survey sites.</p>
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<p>Mitochondrial cytochrome b phylogenies for the <span class="html-italic">Praomys</span> and <span class="html-italic">Hylomyscus</span> genera. (<b>a</b>) Genus <span class="html-italic">Praomys</span>, (<b>b</b>) <span class="html-italic">Praomys jacksoni</span> complex, (<b>c</b>) Kenya’s <span class="html-italic">Praomys jacksoni</span>, (<b>d</b>) genus <span class="html-italic">Hylomyscus</span>, (<b>e</b>) <span class="html-italic">Hylomyscus denniae</span> species group, and (<b>f</b>) <span class="html-italic">Hylomyscus endorobae</span>.</p>
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<p>Geographical impacts on genetic structuring within <span class="html-italic">Hylomyscus endorobae</span> and <span class="html-italic">Praomys jacksoni</span> in Kenya. Panel (<b>a</b>) shows the <span class="html-italic">H. endorobae</span> results, and panel (<b>b</b>) shows the <span class="html-italic">P. jacksoni</span> results. The geographical distributions of the samples are overlaid on the elevation layer (darker corresponds to high elevations) in the top figures. The haplotype networks are also shown in corresponding panels, illustrating the genealogical clustering of samples based on localities. The phylogenetic trees in the middle figures are colored based on the sampling locality IDs and match the distribution and haplotype network colors. The correlations between geographic distances (inferred from latitude–longitude sample records) and genetic distances (pairwise nucleotide differences) are shown in the bottom figures.</p>
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<p>Ancestral area reconstructions of <span class="html-italic">Praomys jacksoni</span> (<b>a</b>) and <span class="html-italic">Hylomyscus endorobae</span> (<b>b</b>) based on the dispersal–extinction–cladogenesis model [<a href="#B74-life-14-01469" class="html-bibr">74</a>] implemented in RASP [<a href="#B71-life-14-01469" class="html-bibr">71</a>]. The major sampling sites were used as the biogeographical states and are labeled in the legends with matching color schemes.</p>
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<p>Population dynamics analysis of <span class="html-italic">Hylomyscus endorobae</span> (<b>a</b>) and <span class="html-italic">Praomys jacksoni</span> (<b>b</b>) in Kenya. The main figures (bar plots) show the mismatch distribution analysis, with the <span class="html-italic">y</span>-axis showing the frequency of pairwise nucleotide differences between sequences. The inset plots show the Bayesian skyline plots of population change (<span class="html-italic">y</span>-axis) over evolutionary time (<span class="html-italic">x</span>-axis) to the left and corresponding lineages through time to the right.</p>
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<p>Habitat suitability maps and summary graphs of species distribution modeling projections for habitat suitability scenarios for <span class="html-italic">Praomys jacksoni</span> and <span class="html-italic">Hylomyscus endorobae</span>; (<b>a</b>) shows the range-wide changes to the modeled habitat suitability classes, with (<b>b</b>) showing the corresponding quantitative changes summarized into periods by area change associations. In both (<b>a</b>,<b>b</b>), the panels to the left represent <span class="html-italic">H. endorobae</span>, whereas those to the right represent <span class="html-italic">P. jacksoni</span>. In (<b>a</b>), the x axes represent longitude and the y axes represent latitude.</p>
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<p>Projected land-use changes within the IUCN-recorded species distribution range (<b>a</b>) and within the species’ known distribution range in Kenya (<b>b</b>) for <span class="html-italic">Praomys jacksoni</span> and <span class="html-italic">Hylomyscus endorobae</span>. The range of <span class="html-italic">H. endorobae</span> is entirely nested within the <span class="html-italic">P. jacksoni</span> range (see <a href="#life-14-01469-f001" class="html-fig">Figure 1</a>).</p>
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<p>Projected land-use changes within the IUCN-recorded species distribution range (<b>a</b>) and within the species’ known distribution range in Kenya (<b>b</b>) for <span class="html-italic">Praomys jacksoni</span> and <span class="html-italic">Hylomyscus endorobae</span>. The range of <span class="html-italic">H. endorobae</span> is entirely nested within the <span class="html-italic">P. jacksoni</span> range (see <a href="#life-14-01469-f001" class="html-fig">Figure 1</a>).</p>
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19 pages, 4442 KiB  
Article
Molecular Dynamics Simulations of Nucleosomes Containing Histone Variant H2A.J
by Nikita A. Kosarim, Anastasiia S. Fedulova, Aleksandra S. Shariafetdinova, Grigoriy A. Armeev and Alexey K. Shaytan
Int. J. Mol. Sci. 2024, 25(22), 12136; https://doi.org/10.3390/ijms252212136 - 12 Nov 2024
Viewed by 430
Abstract
Histone proteins form the building blocks of chromatin—nucleosomes. Incorporation of alternative histone variants instead of the major (canonical) histones into nucleosomes is a key mechanism enabling epigenetic regulation of genome functioning. In humans, H2A.J is a constitutively expressed histone variant whose accumulation is [...] Read more.
Histone proteins form the building blocks of chromatin—nucleosomes. Incorporation of alternative histone variants instead of the major (canonical) histones into nucleosomes is a key mechanism enabling epigenetic regulation of genome functioning. In humans, H2A.J is a constitutively expressed histone variant whose accumulation is associated with cell senescence, inflammatory gene expression, and certain cancers. It is sequence-wise very similar to the canonical H2A histones, and its effects on the nucleosome structure and dynamics remain elusive. This study employed all-atom molecular dynamics simulations to reveal atomistic mechanisms of structural and dynamical effects conferred by the incorporation of H2A.J into nucleosomes. We showed that the H2A.J C-terminal tail and its phosphorylated form have unique dynamics and interaction patterns with the DNA, which should affect DNA unwrapping and the availability of nucleosomes for interactions with other chromatin effectors. The dynamics of the L1-loop and the hydrogen bonding patterns inside the histone octamer were shown to be sensitive to single amino acid substitutions, potentially explaining the higher thermal stability of H2A.J nucleosomes. Taken together, our study demonstrated unique dynamical features of H2A.J-containing nucleosomes, which contribute to further understanding of the molecular mechanisms employed by H2A.J in regulating genome functioning. Full article
(This article belongs to the Special Issue Current Research on Chromatin Structure and Function)
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Graphical abstract

Graphical abstract
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<p>Nucleosomes containing the H2A.J histone variant, its sequence, and expression as compared to canonical histones: (<b>a</b>) A 3D model of the H2A.J-containing nucleosome. Histones and DNA are depicted in molecular surface representation using respective colors (see legend). Main residues specific to H2A.J (with respect to at least several canonical H2A isoforms) are colored in magenta and named; (<b>b</b>) Expression levels of H2A.J and canonical H2A isoforms as provided by PaxDB. Isoform number and corresponding human genes are given for each sequence; (<b>c</b>) Multiple sequence alignment of all canonical H2A isoforms and H2A.J histone in humans; (<b>d</b>) Alignment of H2A.J and isoform 2 of canonical H2A that was used in simulations. Positively and negatively charged residues are highlighted in blue and red, respectively. Key arginines that are inserted into DNA minor groves are highlighted with dark blue frames. The phosphorylation site of H2A.J is marked with a black asterisk. Magenta boxes mark H2A.J-specific residues.</p>
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<p>MD simulations overview: (<b>a</b>) The starting structure for simulations: nucleosome with linker DNA segments in a simulation box with solvent; (<b>b</b>) Right: MD snapshots overlay. Left: overlaid projections of the DNA base pair center positions and Cα-atoms’ positions of histones’ α2-helices onto the plane perpendicular to the nucleosomal superhelical axis (nucleosomal plane). Snapshots are spaced every 100 ns; (<b>c</b>) Average conformations of the histone α2-helices of different simulated systems and conformational fluctuations of the said helices in H2A.J-containing nucleosomes as visualized by the projections of Cα-atoms’ coordinates onto the nucleosomal plane; (<b>d</b>) Histogram showing the different unwrapping states of the nucleosomal DNA observed during simulations; (<b>e</b>) The profile of the average number of atom–atom contacts between H2A histone residues and DNA for the H2A.J-containing system (N<sub>H2A.J</sub>). See details in <a href="#app1-ijms-25-12136" class="html-app">Supplementary Figure S4</a>. Positively and negatively charged residues are highlighted in blue and red, respectively.</p>
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<p>The contact profiles between H2A histones and DNA for different systems: (<b>a</b>) An overlay of snapshots showing only DNA and H2A histones for the H2A.J-containing system (N<sub>H2A.J</sub>); (<b>b</b>) Sites on DNA that were accessible for contacts with H2A C-terminal tails in different systems. The presence of a bar of a particular color indicates that the particular nucleotide participated in at least one contact in the respective simulation. The profile was symmetrized by taking into account contacts on both symmetry-related sides of the nucleosome. The DNA sequence on the <span class="html-italic">X</span>-axis starts from the nucleosome center (dyad) and runs towards the linker DNA ends. The segments where the DNA minor groove is facing towards the octamer are highlighted in orange (according to the analysis carried out in [<a href="#B46-ijms-25-12136" class="html-bibr">46</a>]); (<b>c</b>) The average number of contacts between H2A C-tails and the DNA for different simulated systems; (<b>d</b>) A comparative plot of the average number of atom–atom contacts for the three simulated systems plotted for the C-terminal tail of H2A histones. Positively and negatively charged residues are highlighted in blue and red, respectively.</p>
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<p>Different patterns of interactions between C-terminal tail residues and DNA. Orange or blue spheres show the border between nucleosomal and linker DNA segments. Histones H2A, H2B, H4 and DNA are colored in yellow, blue, green and gray, respectively.</p>
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<p>Molecular details of the effects of H2A/H2A.J S40A substitution on L1-loop conformation and dynamics: (<b>a</b>) The interactions within the H2A-H2B-dimer that are altered due to S40A substitution. H2A/H2A.J histones are colored in yellow, H2A/H2A.J L1-loop is shown in magenta. Blue arrows mark the presence of a hydrogen bond between S40 and R42 or the absence of this bond between A40 and R42; (<b>b</b>) Left: observed H2A.J L1-loop reorganization accompanied by a change in torsion angles of the peptide backbone between residues Y39 and A40 (see inset in a black frame) and formation of inter-H2A-H2B-dimer hydrogen bonds between E41 and N38. Right: the changes in the probability of distribution of the distance between donor and acceptor atoms of E41 and N38 residues (top) and changes in peptide backbone dihedral angles (bottom) upon L1-loop reorganization. One and two asterisks denote standard and alternative conformation modes of L1-loops, respectively.</p>
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<p>Dynamics of the H2A.J N-terminal tail (yellow) in the vicinity of H2A.J-Val10 substitution: (<b>a</b>) Snapshots showing the location of H2A.J Val10 and modes of interaction of the N-terminal H2A.J tail with the DNA minor groove. (<b>b</b>) A comparative plot of the average number of atom–atom contacts for the three simulated systems plotted for the N-terminal tail of H2A histones. (<b>c</b>) Same as (<b>b</b>), but the number of stable atom–atom contacts is shown (a stable atom–atom contact is defined here as a contact that was present in at least 25% of trajectory frames; the values are averaged over two copies of H2A in the nucleosome). (<b>d</b>) Same as (<b>b</b>), but contacts with the nucleobases’ atoms in the DNA minor groove are used to make the profile. Positively charged residues are highlighted in blue.</p>
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23 pages, 19204 KiB  
Article
Investigations of the Interface Design of Polyetheretherketone Filament Yarn Considering Plasma Torch Treatment
by Toty Onggar, Leopold Alexander Frankenbach and Chokri Cherif
Coatings 2024, 14(11), 1424; https://doi.org/10.3390/coatings14111424 - 8 Nov 2024
Viewed by 437
Abstract
Taking advantage of its high-temperature resistance and elongation properties, conductive-coated polyetheretherketone (PEEK) filament yarn can be used as a textile-based electroconductive functional element, in particular as a strain sensor. This study describes the development of electrical conductivity on an inert PEEK filament surface [...] Read more.
Taking advantage of its high-temperature resistance and elongation properties, conductive-coated polyetheretherketone (PEEK) filament yarn can be used as a textile-based electroconductive functional element, in particular as a strain sensor. This study describes the development of electrical conductivity on an inert PEEK filament surface by the deposition of metallic nickel (Ni) layers via an electroless galvanic plating process. To enhance the adhesion properties of the nickel layer, both PEEK multifilament and monofilament yarn surfaces were metalized by plasma torch pretreatment, followed by nickel plating. Electrical characterizations indicate the potential of nickel-coated PEEK for structural monitoring in textile-reinforced composites. In addition, surface energy measurements before and after plasma torch pretreatment, surface morphology, nickel layer thickness, chemical structure changes, and mechanical properties were analyzed and compared with untreated PEEK. The thickness of the Ni layer was measured and showed an average thickness of 1.25 µm for the multifilament yarn and 3.36 µm for the monofilament yarn. FTIR analysis confirmed the presence of new functional groups on the PEEK surface after plasma torch pretreatment, indicating a successful modification of the surface chemistry. Mechanical testing showed an increase in tensile strength after plasma torch pretreatment but a decrease after nickel plating. In conclusion, this study successfully developed conductive PEEK yarns through plasma torch pretreatment and nickel plating. Full article
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<p>PEEK multifilament yarn (<b>a</b>) and PEEK monofilament yarn (<b>b</b>).</p>
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<p>Schematic representation of the simplified continuous plasma torch pretreatment system for PEEK filament yarns.</p>
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<p>Electroless galvanic nickel plating of PEEK filament yarns.</p>
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<p>Four-wire resistance measurement of nickel-plated PEEK filament yarns.</p>
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<p>Chemical structure of PEEK.</p>
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<p>FTIR spectrum of the untreated, plasma-torch-pretreated, and nickel-plated PEEK multifilament yarns.</p>
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<p>Possible degradation reactions on the surface of PEEK filaments during plasma torch pretreatment.</p>
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<p>FTIR spectrum of the untreated, plasma-torch-pretreated, and nickel-plated PEEK monofilament yarns.</p>
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<p>Determination of filament yarn diameter by light microscopy.</p>
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<p>Light microscopy image of untreated (<b>a</b>) and plasma-torch-pretreated (<b>b</b>) PEEK multifilament yarn (sample V2).</p>
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<p>Light microscopy image of untreated (<b>a</b>) and plasma-torch-pretreated (<b>b</b>) PEEK monofilament yarn (sample V3).</p>
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<p>Scanning electron microscopy (SEM) image (1000× (<b>a</b>) and 5000× (<b>b</b>)) of untreated PEEK multifilament yarn.</p>
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<p>SEM image (5000×) of plasma-torch-pretreated PEEK multifilament yarn; influence of increasing treatment distance (sample V1: 2 cm (<b>a</b>); sample V2: 2.5 cm (<b>b</b>) and sample V3: 3 cm (<b>c</b>)) between the plasma torch tip and PEEK surface on the surface.</p>
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<p>SEM image (5000×) of plasma-torch-pretreated PEEK multifilament yarn; influence of increasing yarn speed (sample V10: 1.5 m/min (<b>a</b>), sample V9: 2 m/min (<b>b</b>) and sample V8: 2.5 m/min (<b>c</b>)) during plasma torch pretreatment on the PEEK surface.</p>
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<p>SEM image (5000×) of plasma-torch-pretreated PEEK multifilament yarn; influence of plasma torch power (sample V2 80% (<b>a</b>) and V12 100% (<b>b</b>)) during plasma torch pretreatment on the PEEK surface.</p>
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<p>SEM image (200× (<b>a</b>) and 5000× (<b>b</b>)) of untreated PEEK monofilament yarn.</p>
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<p>SEM image (200× (<b>a</b>) and 500× (<b>b</b>)) of plasma-torch-pretreated PEEK monofilament yarn (sample V4).</p>
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<p>SEM image (1000× (<b>a</b>) and 20,000× (<b>b</b>)) of nickel-plated PEEK multifilament yarn surface.</p>
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<p>SEM image (200× (<b>a</b>) and 10,000× (<b>b</b>)) of nickel-plated PEEK monofilament yarn.</p>
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<p>SEM image of the cross-section of nickel-plated PEEK multifilament yarn (<b>a</b>) and PEEK monofilament yarn (<b>b</b>).</p>
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<p>Tensile properties of untreated, plasma-torch-pretreated, and nickel-plated PEEK multifilament yarn. Lines of different colours mean that several measurements were carried out on one sample.</p>
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<p>Measured electrical resistivity of nickel-plated PEEK multifilament yarn and monofilament yarn as a function of yarn length.</p>
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26 pages, 2375 KiB  
Article
Flight-Based Control Allocation: Towards Human–Autonomy Teaming in Air Traffic Control
by Gijs de Rooij, Adam Balint Tisza and Clark Borst
Aerospace 2024, 11(11), 919; https://doi.org/10.3390/aerospace11110919 - 8 Nov 2024
Viewed by 440
Abstract
It is widely recognized that airspace capacity must increase over the coming years. It is also commonly accepted that meeting this challenge while balancing concerns around safety, efficiency, and workforce issues will drive greater reliance on automation. However, if automation is not properly [...] Read more.
It is widely recognized that airspace capacity must increase over the coming years. It is also commonly accepted that meeting this challenge while balancing concerns around safety, efficiency, and workforce issues will drive greater reliance on automation. However, if automation is not properly developed and deployed, it represents something of a double-edged sword, and has been linked to several human–machine system performance issues. In this article, we argue that human–automation function and task allocation may not be the way forward, as it invokes serialized interactions that ultimately push the human into a problematic supervisory role. In contrast, we propose a flight-based allocation strategy in which a human controller and digital colleague each have full control authority over different flights in the airspace, thereby creating a parallel system. In an exploratory human-in-the-loop simulation exercise involving six operational en route controllers, it was found that the proposed system was considered acceptable after the users gained experience with it during simulation trials. However, almost all controllers did not follow the initial flight allocations, suggesting that allocation schemes need to remain flexible and/or be based on criteria capturing interactions between flights. In addition, the limited capability of and feedback from the automation contributed to this result. To advance this concept, future work should focus on substantiating flight-centric complexity in driving flight allocation schemes, increasing automation capabilities, and facilitating common ground between humans and automation. Full article
(This article belongs to the Special Issue Future Airspace and Air Traffic Management Design)
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<p>Two alternative evolutionary paths to higher levels of ATC automation.</p>
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<p>Schematic overview of human–automation teamwork.</p>
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<p>Schematic overview of sector interactions.</p>
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<p>Schematic overview of flight interactions.</p>
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<p>Simulator interface, with blue flights allocated to automation and green flights to the human ATCO. Note that flights approaching the controlled sector (grey polygon) have not yet been assumed, as indicated by their partially colored labels, which communicate a suggested allocation. The background colors have been inverted in the image for clarity.</p>
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<p>Experiment setup.</p>
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<p>Traffic density of the scenario.</p>
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<p>Time trace of the number of flights in the scenario.</p>
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<p>Call sign menu shown when clicking the call sign in a flight label; ATCOs could delegate a flight to automation by pressing “ASSUME TO AUTO” or could take it back by pressing “ASSUME”.</p>
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<p>Experimental procedure.</p>
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<p>Suggested human–automation flight allocation schemes.</p>
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<p>Pre-experiment ATCO responses to various statements about automation in ATC.</p>
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<p>Allocation of tasks between human and automation as desired by the ATCOs in a function-based allocation system.</p>
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<p>Post-training ATCO responses to various statements about the experimental automation.</p>
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<p>Stacked time traces of the number of actual and suggested flights allocated per agent and ISA workload ratings. The red lines correspond to the number of manual flights if the ATCOs had followed their uniquely assigned allocation suggestion from <a href="#aerospace-11-00919-f011" class="html-fig">Figure 11</a>.</p>
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<p>Flight density maps and share of flight time as allocated by the ATCOs, split per agent; the colored outlines indicate the suggested allocation from <a href="#aerospace-11-00919-f011" class="html-fig">Figure 11</a>, i.e., the absolute required flight level change <math display="inline"><semantics> <mrow> <mo>|</mo> <mo>Δ</mo> <mi>FL</mi> <mo>|</mo> </mrow> </semantics></math> between sector entry (NFL) and transfer to the next sector (TFL) for ATCOs 1 and 2, entry sector for ATCOs 3 and 4, and all manual or automated for ATCOs 5 and 6.</p>
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<p>Number of issued clearances per ATCO and agent.</p>
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<p>Histogram of the total duration that flights were under either manual or computer control. All flights are included twice per ATCO, once for either agent.</p>
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<p>Factors driving the ATCOs’ decision-making on whether to allocate flights to automation or to themselves.</p>
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<p>Post-experiment ATCO response to various statements about the impact of automation.</p>
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<p>Post-experiment simulator fidelity ratings.</p>
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<p>The ATCOs’ stances on “I trust (the) automation” at three different moments during the experiment.</p>
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16 pages, 3683 KiB  
Article
Comparison of Three Computational Tools for the Prediction of RNA Tertiary Structures
by Frank Yiyang Mao, Mei-Juan Tu, Gavin McAllister Traber and Ai-Ming Yu
Non-Coding RNA 2024, 10(6), 55; https://doi.org/10.3390/ncrna10060055 - 8 Nov 2024
Viewed by 545
Abstract
Understanding the structures of noncoding RNAs (ncRNAs) is important for the development of RNA-based therapeutics. There are inherent challenges in employing current experimental techniques to determine the tertiary (3D) structures of RNAs with high complexity and flexibility in folding, which makes computational methods [...] Read more.
Understanding the structures of noncoding RNAs (ncRNAs) is important for the development of RNA-based therapeutics. There are inherent challenges in employing current experimental techniques to determine the tertiary (3D) structures of RNAs with high complexity and flexibility in folding, which makes computational methods indispensable. In this study, we compared the utilities of three advanced computational tools, namely RNAComposer, Rosetta FARFAR2, and the latest AlphaFold 3, to predict the 3D structures of various forms of RNAs, including the small interfering RNA drug, nedosiran, and the novel bioengineered RNA (BioRNA) molecule showing therapeutic potential. Our results showed that, while RNAComposer offered a malachite green aptamer 3D structure closer to its crystal structure, the performances of RNAComposer and Rosetta FARFAR2 largely depend upon the secondary structures inputted, and Rosetta FARFAR2 predictions might not even recapitulate the typical, inverted “L” shape tRNA 3D structure. Overall, AlphaFold 3, integrating molecular dynamics principles into its deep learning framework, directly predicted RNA 3D structures from RNA primary sequence inputs, even accepting several common post-transcriptional modifications, which closely aligned with the experimentally determined structures. However, there were significant discrepancies among three computational tools in predicting the distal loop of human pre-microRNA and larger BioRNA (tRNA fused pre-miRNA) molecules whose 3D structures have not been characterized experimentally. While computational predictions show considerable promise, their notable strengths and limitations emphasize the needs for experimental validation of predictions besides characterization of more RNA 3D structures. Full article
(This article belongs to the Section Computational Biology)
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<p>Malachite green aptamer (MGA) 3D structures predicted by different computational programs and compared with the crystal structure. (<b>A</b>) The 2.8 Å crystal structure of MGA with strontium ions (green) and tetramethylrosamine (TMR, red) (PDB ID: 1f1t). Segments are color coded as follows: base quadruple (G24∙A31∙G29:C7, blue) above TMR, two sets of base triples (A26∙U11:A22 and A27∙C10:G23, cyan) below the TMR, pair of stacking bases (magenta) adjacent to TMR, and U-turn bulge (U25, white). (<b>B</b>) The MGA 3D structure predicted by RNAComposer. Compared with the crystal structure (<b>A</b>) by using PyMOL 3.0, it shows the all-atom root mean square deviation (RMSD) difference of 2.558 Å. (<b>C</b>) The MGA 3D structure predicted by Rosetta FARFAR2 exhibits an RMSD value of 9.702 Å relative to the crystal structure (<b>A</b>). (<b>D</b>) The MGA 3D structure predicted by AlphaFold 3, with an RMSD of 5.745 Å relative to the crystal structure (<b>A</b>). Prediction confidence is illustrated by color in ribbon form as follows: blue for high confidence regions, yellow for low confidence regions, and orange for very low confidence regions.</p>
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<p>Comparison of human glycyl-tRNA-CCC (htRNA<sup>Gly-CCC</sup>) 3D structures determined experimentally (<b>A</b>) and predicted by RNAComposer (<b>B</b>), Rosetta FARFAR2 (<b>C</b>), and AlphaFold 3 (<b>D</b>). (<b>A</b>) The htRNA<sup>Gly-CCC</sup> 3D structure is extracted from the human glycyl-tRNA synthetase complex (hGlyRS–htRNA<sup>Gly-CCC</sup>) crystal structure (PDB ID: 5E6M, 2.93 Å resolution) and annotated according to its secondary structure prediction from RNAfold as follows: acceptor arm (wheat tint), D arm (cyan), T arm (yellow), and anticodon arm (orange). (<b>B</b>) The htRNA<sup>Gly-CCC</sup> 3D structure predicted by RNAComposer shows an RMSD of 16.077 Å as compared to the crystal structure (<b>A</b>). (<b>C</b>) The htRNA<sup>Gly-CCC</sup> 3D structure predicted by Rosetta FARFAR2, with an RMSD of 7.482 Å relative to the crystal structure (<b>A</b>). (<b>D</b>) The htRNA<sup>Gly-CCC</sup> 3D structure predicted by AlphaFold 3 exhibits an RMSD of 5.522 Å relative to the crystal structure (<b>A</b>) The degree of prediction confidence is displayed in ribbon form as follows: blue is relatively high, while yellow is relatively low.</p>
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<p>Comparison of human glycyl-tRNA-GCC (htRNA<sup>Gly-GCC</sup>) 3D structures predicted computationally with RNAComposer (<b>A</b>), Rosetta FARFAR2 (<b>B</b>), and AlphaFold 3 (<b>C</b>). Acceptor arm (wheat tint), D arm (cyan), T arm (yellow), and anticodon arm (orange). The blue and yellow areas in the ribbon-form structure predicted by AlphaFold 3 indicate high and low confidence in its prediction, respectively. (<b>D</b>) Comparison of the primary sequences of the htRNA<sup>Gly-GCC</sup> examined herein and htRNA<sup>Gly-CCC</sup> isoacceptor shown in <a href="#ncrna-10-00055-f002" class="html-fig">Figure 2</a>. Note that the secondary structure predicted by CONTRAfold was used as inputs for RNAComposer and Rosetta FARFAR2, whereas its primary sequence was directly inputted for AlphaFold 3 prediction. The secondary structure predicted by RNAfold failed to offer unpaired anticodon GCC (<a href="#app1-ncrna-10-00055" class="html-app">Figure S1</a>), thus a common inverted “L” shape tRNA 3D structure (<a href="#app1-ncrna-10-00055" class="html-app">Figure S2</a>).</p>
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<p>Comparison of human precursor microRNA let-7a-1 (pre-let-7a) 3D structures predicted by RNAComposer (<b>B</b>), Rosetta FARFAR2 (<b>C</b>), and AlphaFold 3 (<b>D</b>) vs. the 3D structure (<b>A</b>) of its truncated version (pre-let-7a<sup>Trunc</sup>) determined experimentally. (<b>A</b>) The pre-let-7a<sup>Trunc</sup> 3D structure extracted from the human Dicer–TRBP complex determined by cryo–EM (PDB ID: 5ZAL, 3.1 Å resolution). Let-7a-1-5p strand (red), let-7a-1-3p (green), and distal loop (pink; orange in ribbon form), which has an undefined structure. Note that the 3D structure of the distal loop remains uncharacterized. (<b>B</b>) The pre-let-7a 3D structure predicted by RNAComposer, with an RMSD of 5.251 Å as compared to the cryo–EM structure (<b>A</b>). (<b>C</b>) The pre-let-7a 3D structure predicted by Rosetta FARFAR2 shows an RMSD of 6.037 Å relative to the crystal structure (<b>A</b>). (<b>D</b>) The pre-let-7a 3D structure predicted by AlphaFold 3, with an RMSD of 4.890 Å difference from the crystal structure (<b>A</b>). Prediction confidence is displayed in ribbon form as follows: blue relatively high, yellow relatively low, and orange very low. (<b>E</b>) Comparison of the primary sequences of the pre-let-7a<sup>Trunc</sup> and pre-let-7a. The secondary structure predicted by CONTRAfold was used as the input for RNAComposer and Rosetta FARFAR2 predictions, and its primary sequence was directly inputted for AlphaFold 3 prediction.</p>
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<p>Comparison of the 3D structures of human tRNA<sup>Gly-GCC</sup>-fused hsa-pre-let-7a (BioRNA<sup>Gly</sup>/pre-let-7a) predicted computationally by RNAComposer (<b>A</b>), Rosetta FARFAR2 (<b>B</b>), and AlphaFold 3 (<b>C</b>). The tRNA segment is displayed as follows: acceptor arm (wheat tint), D arm (cyan), T arm (yellow); the pre-let-7a segment is displayed as follows: let-7a-1-5p (red), let-7a-1-3p (green), distal loop (pink; orange in ribbon form). The blue and yellow areas in the ribbon-form structure predicted by AlphaFold 3 indicate high and low confidence, respectively, while the orange denotes very low confidence in its prediction. The secondary structure predicted by CONTRAfold was used as the input for RNAComposer and Rosetta FARFAR2 predictions, and its primary sequence was directly inputted for AlphaFold 3 prediction. Note that the 3D structure of the distal loop within pre-let-7a (<a href="#ncrna-10-00055-f004" class="html-fig">Figure 4</a>A) was undefined in the cryo–EM study [<a href="#B12-ncrna-10-00055" class="html-bibr">12</a>].</p>
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<p>Predicted 3D structures of the siRNA drug nedosiran (<b>A</b>,<b>B</b>) and human leucyl-tRNA (htRNA<sup>Leu-UAA</sup>) (<b>C</b>,<b>D</b>) by AlphaFold 3. Sense (S, black) and antisense (AS, red) RNA strands are noted for the nedosiran, and the acceptor arm (wheat tint), D arm (cyan), anticodon arm (orange), variable arm (magenta), and T arm (yellow) are color coded for htRNA<sup>Leu-UAA</sup>. Panels <b>A</b> and <b>C</b> show unmodified RNAs, while panels <b>B</b> and <b>D</b> are respective RNAs with a few modifications supported by AlphaFold 3, including 2′-<span class="html-italic">O</span>-methylcytidine (Cm), 2′-<span class="html-italic">O</span>-methylguanosine (Gm), 2′-<span class="html-italic">O</span>-methyladenosine (Am), and 2′-<span class="html-italic">O</span>-methyluridine (Um), 5-methyluridine (m5U), and pseudouridine (ψ). See <a href="#app1-ncrna-10-00055" class="html-app">Table S2</a> for complete chemical modifications applied to nedosiran and conserved post-transcription modifications for htRNA<sup>Leu-UAA</sup>; many are currently not supported by AlphaFold 3. The blue and cyan regions in the ribbon structure represent very high and high prediction confidence, respectively, while yellow indicates low confidence. While overall 3D structures looked similar, a RMSD of 1.993 Å between unmodified and modified nedosiran siRNA (<b>A</b>,<b>B</b>) was observed, as well as 1.431 Å between modified and unmodified htRNA<sup>Leu-UAA</sup>. Interestingly, the inclusion of chemical modifications affected AlphaFold 3′s ability to perform local prediction confidence analysis and generate the complete ribbon structure for nedosiran siRNA (<b>B</b>), while incorporation of a few conserved post-transcriptional modifications improved the prediction confidence for surrounding regions (<b>D</b>).</p>
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<p>The workflow for computational prediction of RNA 3D structures. It starts by retrieving primary sequences from relevant databases such as PDB, GtRNAdb, and miRBase. The RNA secondary structures are obtained by using RNAfold, Mfold, or CONTRAfold, and then used by conventional tools (RNAComposer and Rosetta FARFAR2) to generate 3D structures. By contrast, the primary sequence is fed directly into AlphaFold 3 for 3D structure prediction. The resultant structures are visualized and analyzed using PyMOL 3.0, facilitating a detailed comparison of specific structures.</p>
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15 pages, 3225 KiB  
Article
Application of the Life Cycle Assessment (LCA) Method in Assessing the Environmental Impact of New Materials Derived from Waste Polymers in Terms of Sustainability
by Wioletta M. Bajdur, Maria Włodarczyk-Makuła and Agata Krukowska-Miler
Sustainability 2024, 16(22), 9759; https://doi.org/10.3390/su16229759 - 8 Nov 2024
Viewed by 555
Abstract
Sustainable socioeconomic development should provide humans with a suitable environment for safe living. It can be debated whether the term “environment” should be used due to the significant anthropogenic transformation of the environment. Therefore, an essential part of solving environmental problems is innovation. [...] Read more.
Sustainable socioeconomic development should provide humans with a suitable environment for safe living. It can be debated whether the term “environment” should be used due to the significant anthropogenic transformation of the environment. Therefore, an essential part of solving environmental problems is innovation. Climate, resource conservation, and environmental protection are recognized worldwide as common challenges. Thus, it is necessary to implement solutions that simultaneously protect the environment and the climate with sustainable and rational use of resources. Related to this issue is the principle of a loop/closed-loop economy. Among other things, it refers to using waste to prepare materials that can be used for other purposes. The use of tools such as LCA (life cycle analysis) contributes to supporting environmental protection. With the LCA method, it is possible to analyze environmental risks and compare new technological alternatives. LCA is a methodology that has been used around the world with great success, especially for studying individual stages of the entire product life cycle. The results of studies that have been conducted in various research centers confirm the possibility of also using the LCA technique for the environmental assessment of new technologies or existing modernized technological processes. The purpose of this study was to assess the feasibility of using the LCA method to determine the environmental impact that the potential production and use of new materials will have. Full article
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<p>Results after the characterization step for the amine derivative of phenol–formaldehyde resin (novolac SE) concerning the functional unit.</p>
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<p>Results after the weighing step for the amine derivative of phenol–formaldehyde resin (novolac SE) concerning the functional unit.</p>
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<p>Environmental footprint for the production process of the amine derivative of the SE novolac-process network concerning the functional unit [Pt].</p>
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<p>Environmental footprint for the production process of the amine derivative of the SE novolac-process network in the category of resource use—minerals and metals in relation to the functional unit.</p>
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<p>Environmental footprint for the production process of the amine derivative of the novolac SE-process network in the category of ecotoxicity for freshwater with respect to the functional unit.</p>
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<p>Results after the characterization stage for the treatment of metallurgical wastewater with the amine derivative of novolac SE in relation to the functional unit.</p>
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<p>Post-weighting results for the treatment of metallurgical wastewater with the amine derivative of novolac SE with respect to the functional unit.</p>
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<p>Environmental footprint for the process of treating metallurgical wastewater with an amine derivative of the SE novolac-process network in relation to the functional unit.</p>
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18 pages, 2302 KiB  
Article
A Process Analysis Framework to Adopt Intelligent Robotic Process Automation (IRPA) in Supply Chains
by Sandali Waduge, Ranil Sugathadasa, Ashani Piyatilake and Samudaya Nanayakkara
Sustainability 2024, 16(22), 9753; https://doi.org/10.3390/su16229753 - 8 Nov 2024
Viewed by 961
Abstract
Intelligent Robotic Process Automation (IRPA) combines Artificial Intelligence (AI) and Robotic Process Automation (RPA) to automate complex unstructured tasks, improve decision-making, and cope with changing scenarios. A process analysis framework for IRPA adoption was developed by identifying key factors through a literature review [...] Read more.
Intelligent Robotic Process Automation (IRPA) combines Artificial Intelligence (AI) and Robotic Process Automation (RPA) to automate complex unstructured tasks, improve decision-making, and cope with changing scenarios. A process analysis framework for IRPA adoption was developed by identifying key factors through a literature review and semi-structured expert opinion survey. The employed experts in the survey comprised RPA/IRPA consultants, RPA/IRPA initiative team leaders, and RPA/IRPA developers with three years or more experience. For the initial factor collection phase, there were a total of eighteen (18) responses, and for the factor evaluation phase, a total of twenty-six (26) experts were used to collect responses. Identified factors were shortlisted and evaluated using a Relative Importance Index (RII) analysis. The study’s findings are presented through a Causal-Loop Diagram (CLD) to illustrate the relationships between factors. The framework provides practical guidance for organizations planning to adopt IRPA, informing decision-making, resource allocation, and strategy development. The final process analysis framework highlights the importance of accuracy, level of human involvement in a task, and standardization as the main three primary factors for successful IRPA adoption. Three major secondary factors were identified: digital data input, integration with existing systems, and the cost of adopting new technologies. This research contributes to the added value to existing knowledge and serves as a foundation for future research in IRPA adoption. Full article
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<p>Research methodology.</p>
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<p>Causal-loop diagram with loop polarity.</p>
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<p>Loop for accuracy of the process.</p>
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<p>Loop for the level of human involvement.</p>
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<p>Loop for standardization.</p>
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<p>Reinforcement loop between primary factors.</p>
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<p>Balancing loop between primary and secondary factors.</p>
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21 pages, 4957 KiB  
Article
Advanced Low-Cost Technology for Assessing Metal Accumulation in the Body of a Metropolitan Resident Based on a Neural Network Model
by Yulia Tunakova, Svetlana Novikova, Vsevolod Valiev, Maxim Danilaev and Rashat Faizullin
Sensors 2024, 24(22), 7157; https://doi.org/10.3390/s24227157 - 7 Nov 2024
Viewed by 371
Abstract
This study is devoted to creating a neural network technology for assessing metal accumulation in the body of a metropolis resident with short-term and long-term intake from anthropogenic sources. Direct assessment of metal retention in the human body is virtually impossible due to [...] Read more.
This study is devoted to creating a neural network technology for assessing metal accumulation in the body of a metropolis resident with short-term and long-term intake from anthropogenic sources. Direct assessment of metal retention in the human body is virtually impossible due to the many internal mechanisms that ensure the kinetics of metals and the wide variety of organs, tissues, cellular structures, and secretions that ensure their functional redistribution, transport, and cumulation. We have developed an intelligent multi-neural network model capable of calculating the content of metals in the human body based on data on their environmental content. The model is two interconnected neural networks trained on actual measurement data. Since metals enter the body from the environment, the predictors of the model are metal content in drinking water and soil. In this case, water characterizes the short-term impact on the organism, and drinking water, combined with metal contents in soil, is a depository medium that accumulates metals from anthropogenic sources—the long-term impact. In addition, human physiological characteristics are taken into account in the calculations. Each period of exposure is taken into account by its neural network. Two variants of the model are proposed: open loop, where the calculation is performed by each neural network separately, and closed loop, where neural networks work together. The model built in this way was trained and tested on the data of real laboratory studies of 242 people living in different districts of Kazan. As a result, the accuracy of the neural network block for calculating long-term impact was 90% and higher, and the accuracy of the block for calculating short-term impact was 92% and higher. The closed double-loop model showed an accuracy of at least 96%. Conclusions: Our proposed method of assessing and quantifying metal accumulation in the body has high accuracy and reliability. It does not require expensive laboratory tests and allows quantifying the body’s metal accumulation content based on readily available information. The calculation results can be used as a tool for clinical diagnostics and operational and planned management to reduce the levels of polymetallic contamination in urban areas. Full article
(This article belongs to the Section Wearables)
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<p>Artificial neuron model.</p>
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<p>Main types of activation function of artificial neuron: (<b>a</b>) Sigmoid, (<b>b</b>) Hyperbolic tangent, (<b>c</b>) Linear, (<b>d</b>) ReLU, (<b>e</b>) Threshold, (<b>f</b>) SeLU.</p>
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<p>Types of neural networks.</p>
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<p>Neural network architecture of a block for calculating long-term impact on zinc concentrations.</p>
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<p>Neural network architecture of the block for calculating short-term impact on zinc concentrations.</p>
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<p>Structural diagram of a two-loop open-loop neural network model for estimating metal retention in the body taking into account the period of exposure.</p>
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<p>Structural diagram of a two-loop closed-loop neural network model for estimating metal retention in the body, taking into account the period of exposure based on the calculation of confidence coefficients.</p>
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<p>Deviation of reference and model-calculated retention values for long-term impact type on training examples of (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>RMS errors of neural network models of standard topology on test datasets for long-term impact type: (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>Deviation of reference and model-calculated retention values for short-term impact type on training examples of (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>RMS errors of neural network models of typical topology on test datasets for short-term exposure type on examples of (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>Deviation of reference and model-calculated retention values for a closed double-loop system for the full dataset of (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>Deviation of reference and model-calculated retention values for a closed double-loop system for the full dataset of (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>RMS errors of a closed double-loop system for the full dataset: (<b>a</b>) zinc, (<b>b</b>) chromium, (<b>c</b>) copper, and (<b>d</b>) lead.</p>
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<p>The relative increase in the accuracy of retention calculations when using a double-loop model relative to long-term and short-term impact models.</p>
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<p>Comparative accuracy of the developed models.</p>
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29 pages, 6068 KiB  
Article
A Realistic Model Reference Computed Torque Control Strategy for Human Lower Limb Exoskeletons
by Sk K. Hasan
Actuators 2024, 13(11), 445; https://doi.org/10.3390/act13110445 - 7 Nov 2024
Viewed by 375
Abstract
Exoskeleton robots have become a promising tool in neurorehabilitation, offering effective physical therapy and continuous recovery monitoring. The success of these therapies relies on precise motion control systems. Although computed torque control based on inverse dynamics provides a robust theoretical foundation, its practical [...] Read more.
Exoskeleton robots have become a promising tool in neurorehabilitation, offering effective physical therapy and continuous recovery monitoring. The success of these therapies relies on precise motion control systems. Although computed torque control based on inverse dynamics provides a robust theoretical foundation, its practical application in rehabilitation is limited by its sensitivity to model accuracy, making it less effective when dealing with unpredictable payloads. To overcome these limitations, this study introduces a novel realistic model reference computed torque controller that accounts for parametric uncertainties while optimizing computational efficiency. A dynamic model of a seven-degrees-of-freedom human lower limb exoskeleton is developed, incorporating a realistic joint friction model to accurately reflect the physical behavior of the robot. To reduce computational demands, the control system is split into two loops: a slower loop that predicts joint torque requirements based on reference trajectories and robot dynamics, and a faster PID loop that corrects trajectory tracking errors. Coriolis and centrifugal forces are excluded from the model due to their minimal impact on system dynamics relative to their computational cost. The experimental results show high accuracy in trajectory tracking, and statistical analyses confirm the controller’s robustness and effectiveness in handling parametric uncertainties. This approach presents a promising advancement for improving the stability and performance of exoskeleton-based neurorehabilitation. Full article
(This article belongs to the Special Issue Actuators and Robotic Devices for Rehabilitation and Assistance)
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<p>Human lower extremities’ degrees of freedom.</p>
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<p>Human lower extremity rehabilitation exoskeleton robot.</p>
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<p>Link frame assignment.</p>
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<p>Internal architecture of the robot model.</p>
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<p>Internal architecture of the physical robot model.</p>
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<p>Friction model (combined Coulomb, Viscous and Stribeck effects).</p>
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<p>Simulation of the friction model.</p>
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<p>Schematic diagram of the computed torque controller.</p>
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<p>Architecture of model reference computed torque control.</p>
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<p>Comparison between the total torque, torque required for link acceleration (M), to overcome the gravity (G), Coriolis and centrifugal forces (V).</p>
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<p>Realistic model reference computed torque control architecture.</p>
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<p>Simulation result using MRCTC for sequential joint movement.</p>
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<p>Tracking error using MRCTC for sequential joint movement.</p>
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<p>Joint torque required during sequential joint movement using MRCTC.</p>
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<p>Joint friction torque required during sequential joint movement.</p>
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<p>Simulation result for simultaneous joint movement using MRCTC.</p>
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<p>Tracking error during simultaneous joint movement using MRCTC.</p>
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<p>Joint torque requirements for the model and physical robot during simultaneous joint movement with RMRCTC.</p>
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<p>Friction torque during simultaneous joint movement.</p>
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<p>Joint tracking error histogram based on subject’s weight and height variations.</p>
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24 pages, 1835 KiB  
Review
Coupled Human and Natural Systems: A Novel Framework for Complexity Management
by Dhanushki Perera, Ziyad Abunada and Ahmed AlQabany
Sustainability 2024, 16(22), 9661; https://doi.org/10.3390/su16229661 - 6 Nov 2024
Viewed by 512
Abstract
Coupled human and natural systems (CHANS) represent dialectic interaction between human and nature subsystems. This dynamic interaction involves a prominent level of complexity stemming from the uncertain interrelation between the systems and the incorporated subsystems. The complexity within CHANS includes reciprocal effects, nonlinearity, [...] Read more.
Coupled human and natural systems (CHANS) represent dialectic interaction between human and nature subsystems. This dynamic interaction involves a prominent level of complexity stemming from the uncertain interrelation between the systems and the incorporated subsystems. The complexity within CHANS includes reciprocal effects, nonlinearity, uncertainties, and heterogeneity. Although many researchers have highlighted the significance of understanding the nature of the coupling effect, most of the prevailing literature emphasises either human or natural systems separately, while considering the other as exogenous, despite evaluating the reciprocal and complex interrelations. The current review utilises the Preferred Reporting Items for Systematic Review and Meta-Analyses (PRISMA). It focuses on synthesising the prevailing literature on the CHANS framework in several disciplines, focusing on the approach, findings, limitations, and implications. The review comprises 56 relevant articles, found through Endnote and Covidence database searches. The findings identify the dominant complexity character as reciprocal effects and feedback loops, confirming the complex interactions between human and natural systems. Furthermore, the review provides evidence surrounding the significance of developing an analytical framework that can better explain the complex connections between humans and nature, as it provides a comprehensive understanding of CHANS and their potential impacts. Full article
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<p>Flow chart visualising the workflow for analysing complexity characteristics of CHANS.</p>
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<p>PRISMA flow chart for the systematic literature review. * was used to denote any words starting with complex.</p>
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<p>Selected reviewed CHANS publications by year (2012–2022).</p>
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<p>Classification of reviewed CHANS articles by category.</p>
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<p>Pareto chart summarizing the complexity characteristics listed in <a href="#sustainability-16-09661-t001" class="html-table">Table 1</a>.</p>
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<p>Conceptual framework used for identifying the CHANS complexity and the way forward for integrating analytical framework.</p>
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24 pages, 4521 KiB  
Article
The Polarization Loop: How Emotions Drive Propagation of Disinformation in Online Media—The Case of Conspiracy Theories and Extreme Right Movements in Southern Europe
by Erik Bran Marino, Jesus M. Benitez-Baleato and Ana Sofia Ribeiro
Soc. Sci. 2024, 13(11), 603; https://doi.org/10.3390/socsci13110603 - 5 Nov 2024
Viewed by 902
Abstract
This paper examines the influence of emotions on political polarization, looking at online propagation of conspiracy thinking by extreme right movements in Southern Europe. Integrating insights from psychology, political science, media studies, and system theory, we propose the ‘polarization loop’, a causal mechanism [...] Read more.
This paper examines the influence of emotions on political polarization, looking at online propagation of conspiracy thinking by extreme right movements in Southern Europe. Integrating insights from psychology, political science, media studies, and system theory, we propose the ‘polarization loop’, a causal mechanism explaining the cyclical relationship between extreme messages, emotional engagement, media amplification, and societal polarization. We illustrate the utility of the polarization loop observing the use of the Great Replacement Theory by extreme right movements in Italy, Portugal, and Spain. We suggest possible options to mitigate the negative effects of online polarization in democracy, including public oversight of algorithmic decission-making, involving social science and humanities in algorithmic design, and strengthening resilience of citizenship to prevent emotional overflow. We encourage interdisciplinary research where historical analysis can guide computational methods such as Natural Language Processing (NLP), using Large Language Models fine-tunned consistently with political science research. Provided the intimate nature of emotions, the focus of connected research should remain on structural patterns rather than individual behavior, making it explicit that results derived from this research cannot be applied as the base for decisions, automated or not, that may affect individuals. Full article
(This article belongs to the Special Issue Disinformation in the Public Media in the Internet Society)
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<p>The Feedback Loop in Political Communication.</p>
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<p>Giorgia Meloni’s Tweet on Ethnic Substitution.</p>
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<p>Tweet by Matteo Salvini on Ethnic Substitution.</p>
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<p>Tweet by Matteo Salvini on Ethnic Substitution.</p>
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<p>Chega’s tweet on alleged population replacement in Lisbon.</p>
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<p>Chega tweet emphasizing cultural conflicts over religious constructions.</p>
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<p>Tweet by Vox questioning the rationality of demographic replacement theories.</p>
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<p>Tweet by Vox claiming widespread recognition of demographic replacement in Spain.</p>
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11 pages, 251 KiB  
Article
Evaluation of the Use of Methylation as a New Tool for the Diagnostics and Progression of Squamous Intraepithelial Lesions
by Dominik Pruski, Sonja Millert-Kalińska, Agata Lis, Ewa Pelc, Przemysław Konopelski, Robert Jach and Marcin Przybylski
Int. J. Mol. Sci. 2024, 25(22), 11863; https://doi.org/10.3390/ijms252211863 - 5 Nov 2024
Viewed by 362
Abstract
Vaccination against human papillomavirus (HPV) significantly reduces the incidence of HPV-related lesions worldwide. Considering the increasingly young age of patients in gynecological offices and earlier sexual initiation and potential contact with the HPV virus, doctors need the tools to verify diagnoses. Currently, women [...] Read more.
Vaccination against human papillomavirus (HPV) significantly reduces the incidence of HPV-related lesions worldwide. Considering the increasingly young age of patients in gynecological offices and earlier sexual initiation and potential contact with the HPV virus, doctors need the tools to verify diagnoses. Currently, women plan to pursue motherhood later, so it is necessary to consider whether sexual treatment in the form of, among others, loop electrosurgical excision procedures (LEEPs) may increase the risk of premature birth or difficulty dilating the cervix during labour. For this reason, to avoid the overtreatment of low-grade squamous intraepithelial lesions (LSILs), methylation testing may be considered. In patients with histopathologically confirmed high-grade squamous intraepithelial lesions (HSILs) during biopsy and, ultimately, a lower diagnosis, i.e., LSIL or no signs of atypia, methylation was found to be a useful tool. We performed a Pap smear, HPV genotyping, a punch biopsy, LEEP-conization (if needed), and methylation tests on 108 women admitted to the District Public Hospital in Poland. Women with a negative methylation test result were significantly more likely to be ultimately diagnosed with LSIL (p = 0.013). This means that in 85.7% of the patients with HSIL, major cervical surgery could be avoided if the methylation test was negative. Methylation testing, as well as dual-staining and diagnostics detecting the mRNA transcripts of highly oncogenic types of HPV, might be used in the future in the diagnosis of pre-cancerous conditions, mainly of the cervix, and in HPV-dependent cervical cancer screening. The methylation test may also be used in the diagnosis and identification of lesions within the cervical canal, including those located deep within the frontal crypts, not visible even during a professional colposcopic evaluation of the cervix. Full article
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