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11 pages, 913 KiB  
Communication
Applications of Isosceles Triangular Coupling Structure in Optical Switching and Sensing
by Lili Zeng, Xingjiao Zhang, Qinghua Guo, Yang Fan, Yuanwen Deng, Zhengchao Ma and Boxun Li
Sensors 2024, 24(24), 8221; https://doi.org/10.3390/s24248221 (registering DOI) - 23 Dec 2024
Abstract
In the case of waveguide-based devices, once they are fabricated, their optical properties are already determined and cannot be dynamically controlled, which limits their applications in practice. In this paper, an isosceles triangular-coupling structure which consists of an isosceles triangle coupled with a [...] Read more.
In the case of waveguide-based devices, once they are fabricated, their optical properties are already determined and cannot be dynamically controlled, which limits their applications in practice. In this paper, an isosceles triangular-coupling structure which consists of an isosceles triangle coupled with a two-bus waveguide is proposed and researched numerically and theoretically. The coupled mode theory (CMT) is introduced to verify the correctness of the simulation results, which are based on the finite difference time domain (FDTD). Due to the existence of the side mode and angular mode, the transmission spectrum presents two high transmittance peaks and two low transmittance peaks. In addition, the four transmission peaks exhibit different variation trends when the dimensions of the isosceles triangle are changed. The liquid crystal (LC) materials comprise anisotropic uniaxial crystal and exhibit a remarkable birefringence effect under the action of the external field. When the isosceles triangle coupling structure is filled with LC, the refractive index of the liquid crystal can be changed by changing the applied voltage, thereby achieving the function of an optical switch. Within a certain range, a linear relationship between refractive index and applied voltage can be obtained. Moreover, the proposed structure can be applied to biochemical sensing to detect glucose concentrations, and the sensitivity reaches as high as 0.283 nm·L/g, which is significantly higher than other values reported in the literature. The triangular coupling structure has advantages such as simple structure and ease of manufacturing, making it an ideal choice for the design of high-performance integrated plasmonic devices. Full article
22 pages, 1166 KiB  
Article
Nexus of Natural Resources, Renewable Energy, Capital Formation, Urbanization, and Foreign Investment in E7 Countries
by Zuyao Wang and Runguo Xu
Sustainability 2024, 16(24), 11290; https://doi.org/10.3390/su162411290 - 23 Dec 2024
Abstract
The global trend of rapid economic development and urbanization has created questions regarding the quality of the environment. In the group of emerging economies (E7), environmental challenges have intensified due to specific dynamics unique to these nations. This research is focused on determining [...] Read more.
The global trend of rapid economic development and urbanization has created questions regarding the quality of the environment. In the group of emerging economies (E7), environmental challenges have intensified due to specific dynamics unique to these nations. This research is focused on determining the influence of urbanization (UBNZ), renewable energy (RWNE), capital formation (CPFR), foreign direct investment (FDIN), and natural resources (NTRR) on the ecological footprint (ECLF) of the E7 economies. The study employs the Panel Autoregressive Distributed Lag (PMG-ARDL) approach to examine these relationships, utilizing data spanning the period of 1990–2022. The results reveal that a 1% increase in the CPFR, NTRR, and UBNZ leads to increases in the ECLF of 0.0581%, 0.0263%, and 0.0299%, respectively. Conversely, a 1% increase in RWNE and FDIN reduces the ECLF by 0.0207% and 0.0556%, respectively, in the E7 economies. The study’s findings are further validated through robustness testing via the fully modified ordinary least squares (FMOLS) method. The study concludes with actionable policy recommendations aimed at enhancing environmental quality within these economies. These recommendations include promoting renewable energy adoption, attracting environmentally sustainable foreign investments, and implementing strategies to manage urbanization and natural resource use effectively. Full article
Show Figures

Figure 1

Figure 1
<p>Conceptual workflow.</p>
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<p>ECLF trends for E7 economies.</p>
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<p>Summary of key findings.</p>
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21 pages, 4383 KiB  
Article
Real-Time Contrail Monitoring and Mitigation Using CubeSat Constellations
by Nishanth Pushparaj, Luis Cormier, Chantal Cappelletti and Vilius Portapas
Atmosphere 2024, 15(12), 1543; https://doi.org/10.3390/atmos15121543 - 23 Dec 2024
Abstract
Contrails, or condensation trails, left by aircraft, significantly contribute to global warming by trapping heat in the Earth’s atmosphere. Despite their critical role in climate dynamics, the environmental impact of contrails remains underexplored. This research addresses this gap by focusing on the use [...] Read more.
Contrails, or condensation trails, left by aircraft, significantly contribute to global warming by trapping heat in the Earth’s atmosphere. Despite their critical role in climate dynamics, the environmental impact of contrails remains underexplored. This research addresses this gap by focusing on the use of CubeSats for real-time contrail monitoring, specifically over major air routes such as the Europe–North Atlantic Corridor. The study proposes a 3 × 3 CubeSat constellation in highly eccentric orbits, designed to maximize coverage and data acquisition efficiency. Simulation results indicate that this configuration can provide nearly continuous monitoring with optimized satellite handovers, reducing blackout periods and ensuring robust multi-satellite visibility. A machine learning-based system integrating space-based humidity and temperature data to predict contrail formation and inform flight path adjustments is proposed, thereby mitigating environmental impact. The findings emphasize the potential of CubeSat constellations to revolutionize atmospheric monitoring practices, offering a cost-effective solution that aligns with global sustainability efforts, particularly the United Nations Sustainable Development Goal 13 (Climate Action). This research represents a significant step forward in understanding aviation’s non-CO2 climate impact and demonstrates the feasibility of real-time contrail mitigation through satellite technology. Full article
(This article belongs to the Section Air Quality)
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Figure 1

Figure 1
<p>Spatial bounding boxes to highlight the regional air traffic zones.</p>
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<p>Percentage availability of satellites in the North Atlantic Corridor.</p>
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<p>Minimum (<b>a</b>), average (<b>b</b>), and maximum (<b>c</b>) contact duration over the North Atlantic Corridor region for various highly elliptic orbit configurations. Subfigure (<b>a</b>) highlights the lowest contact durations, (<b>b</b>) shows typical contact durations, and (<b>c</b>) demonstrates the highest contact durations. The color bar represents the contact duration in minutes.</p>
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<p>Minimum (<b>a</b>), average (<b>b</b>), and maximum (<b>c</b>) number of visible satellites over the North Atlantic Corridor region for various highly elliptic orbit configurations. Subfigure (<b>a</b>) shows the lowest number of visible satellites, (<b>b</b>) depicts the typical number of visible satellites, and (<b>c</b>) highlights the highest number of visible satellites. The color bar represents the number of visible satellites.</p>
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<p>Minimum (<b>a</b>), average (<b>b</b>), and maximum (<b>c</b>) blackout duration over the North Atlantic Corridor region for various highly elliptic orbit configurations. Subfigure (<b>a</b>) shows the shortest blackout durations, (<b>b</b>) depicts the average blackout durations, and (<b>c</b>) highlights the longest blackout durations. The color bar represents the blackout duration in minutes.</p>
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<p>Global coverage of 3 × 3 satellite constellation system over the northern hemisphere. Note that there is almost 100% availability of at least one of the satellites in the constellation.</p>
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<p>Global coverage of 3 × 3 satellite constellation system over the northern hemisphere indicating at least 3 visible satellites over the region.</p>
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<p>Average contact duration of the satellites in constellation over the northern hemisphere.</p>
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<p>Phased implementation strategy for the CubeSat-based contrail monitoring system.</p>
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<p>Schematic representation of the KalmanNet-based contrail mitigation system.</p>
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<p>Integration of CubeSat data into flight management system (FMS) for contrail-aware flight planning.</p>
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<p>Workflow of data processing and contrail detection in the CubeSat-based monitoring system.</p>
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72 pages, 7015 KiB  
Article
Modeling and Predicting Self-Organization in Dynamic Systems out of Thermodynamic Equilibrium: Part 1: Attractor, Mechanism and Power Law Scaling
by Matthew Brouillet and Georgi Yordanov Georgiev
Processes 2024, 12(12), 2937; https://doi.org/10.3390/pr12122937 - 23 Dec 2024
Abstract
Self-organization in complex systems is a process associated with reduced internal entropy and the emergence of structures that may enable the system to function more effectively and robustly in its environment and in a more competitive way with other states of the system [...] Read more.
Self-organization in complex systems is a process associated with reduced internal entropy and the emergence of structures that may enable the system to function more effectively and robustly in its environment and in a more competitive way with other states of the system or with other systems. This phenomenon typically occurs in the presence of energy gradients, facilitating energy transfer and entropy production. As a dynamic process, self-organization is best studied using dynamic measures and principles. The principles of minimizing unit action, entropy, and information while maximizing their total values are proposed as some of the dynamic variational principles guiding self-organization. The least action principle (LAP) is the proposed driver for self-organization; however, it cannot operate in isolation; it requires the mechanism of feedback loops with the rest of the system’s characteristics to drive the process. Average action efficiency (AAE) is introduced as a potential quantitative measure of self-organization, reflecting the system’s efficiency as the ratio of events to total action per unit of time. Positive feedback loops link AAE to other system characteristics, potentially explaining power–law relationships, quantity–AAE transitions, and exponential growth patterns observed in complex systems. To explore this framework, we apply it to agent-based simulations of ants navigating between two locations on a 2D grid. The principles align with observed self-organization dynamics, and the results and comparisons with real-world data appear to support the model. By analyzing AAE, this study seeks to address fundamental questions about the nature of self-organization and system organization, such as “Why and how do complex systems self-organize? What is organization and how organized is a system?”. We present AAE for the discussed simulation and whenever no external forces act on the system. Given so many specific cases in nature, the method will need to be adapted to reflect their specific interactions. These findings suggest that the proposed models offer a useful perspective for understanding and potentially improving the design of complex systems. Full article
(This article belongs to the Special Issue Non-equilibrium Processes and Structure Formation)
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Figure 1

Figure 1
<p>Summary of some of the main concepts of the paper. The fundamental principles, through the positive feedback loops with the other characteristics, Figure 3, lead to an outcome of self-organization, shown on a figure with decreasing internal entropy with self-organization, and visually illustrating in the three panels the initial maximum randomness and therefore entropy, the phase transition when the agents explore several paths, and finally when they converge on the shortest path, Figure 6.</p>
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<p>Comparison between the geodesic <math display="inline"><semantics> <msub> <mi>l</mi> <mn>2</mn> </msub> </semantics></math> and a longer path <math display="inline"><semantics> <msub> <mi>l</mi> <mn>1</mn> </msub> </semantics></math> between two nodes in a network.</p>
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<p>Positive feedback model between the eight quantities in our simulation.</p>
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<p>Simulation flow diagram for the self-organization process. The diagram illustrates the sequential stages of the simulation process, depicting how random agent movements and local interactions lead to the emergent self-organization of a dominant path. Key stages include the exploration of space (maximizing entropy), pheromone collection and deposition (information spreading), and the progressive stabilization and optimization of a single trail. The process demonstrates the dynamic transition from randomness to a structured and efficient system configuration.</p>
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<p>Path formation in the simulation. The figure depicts the stages of self-organization phase transition in the simulation. Green ants represent the initial state with random distribution and maximum entropy at the first tick. Red ants illustrate the transition phase, where multiple potential paths are explored. Black ants show the final state, where agents converge on the most efficient path, minimizing entropy and maximizing organization. The blue square marks the nest, while the yellow square marks the food source. The yellow and blue gradients indicate the concentrations of food and nest pheromones, respectively, which guide agent behavior and reinforce the formation of the final path. The population of ants in this simulation is 200.</p>
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<p>Path formation phase transition vs. time: entropy vs. time and stages of path formation in the simulation. The blue curve shows the system’s internal entropy decreasing over time, illustrating the phase transition from maximum internal entropy (disorder) to minimum internal entropy (order). Snapshots from the simulation correspond to key stages: (1) at the first tick (upper insert), ants are randomly distributed, representing maximum entropy; (2) at tick 60 (middle insert), ants explore multiple potential paths, indicating a transitional phase; and (3) at the final tick (lower insert), ants converge on the most AAE path, achieving a highly organized state. The nest (blue square) and food (yellow square) are connected by pheromone-guided paths, with green ants carrying nest pheromones and red ants carrying food pheromones. This figure demonstrates the correlation between entropy reduction and path formation, aiding in understanding the simulation’s self-organization process. The population of ants in this simulation is 200.</p>
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<p>Increase in average action efficiency with ant population. The graph shows the progression of average action efficiency (AAE) over time for different ant populations, ranging from 70 to 200 ants in increments of 10 (bottom curve to top). Initially, AAE increases steeply during the phase transition as ants explore and reinforce shorter paths. As the simulation approaches its limits, the increase slows, but AAE continues to rise gradually up to 1000 ticks due to the strengthening and annealing of the shortest path. Below time 100, the data for the average path time are not reliable, and those points are missing due to the initial conditions of the simulation (<a href="#sec5dot5-processes-12-02937" class="html-sec">Section 5.5</a>).</p>
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<p>The density of ants versus the time as the number of ants increases from the bottom curve to the top. As the simulation progresses, the ants become more dense.</p>
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<p>The internal entropy in the simulation versus the time as the number of ants increases from bottom to top. Entropy decreases from the initial random state as the path forms.</p>
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<p>The total amount of pheromone versus the time passed as the number of ants increases from bottom to top. As the simulation progresses, there is more pheromone for the ants to follow.</p>
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<p>The flow rate versus the time as the number of ants increases from bottom to top. As the simulation progresses, the ants visit the endpoints more often.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the number of ants, on a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<span class="html-italic">N</span> rule. As more ants are added, they are able to form more action-efficient structures by finding shorter paths. This quantity–AAE transition is as follows: as the quantitative characteristic, <span class="html-italic">N</span> increases the qualitative characteristic AAE also increases, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the total action as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<span class="html-italic">Q</span> rule. As there is more total action within the system, the ants become more action-efficient. This quantity–AAE transition is as follows: as the quantitative characteristic, <span class="html-italic">Q</span>, increases the qualitative characteristic AAE also increases, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of unit entropy at the end of the simulation versus internal entropy on a log–log scale, <math display="inline"><semantics> <msub> <mi>s</mi> <mi>u</mi> </msub> </semantics></math>⇔<math display="inline"><semantics> <msub> <mi>s</mi> <mi>f</mi> </msub> </semantics></math> rule. As the total entropy for the simulation increases, the entropy per agent decreases, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the unit information at the end of the simulation versus the total information in the system on a log–log scale, <math display="inline"><semantics> <msub> <mi>i</mi> <mi>u</mi> </msub> </semantics></math>⇔<math display="inline"><semantics> <msub> <mi>i</mi> <mi>f</mi> </msub> </semantics></math> rule. As there are more agents, there is less information per path at the end of the simulation as the path is shorter, and more total information as the size of the system in terms of the number of agents is larger, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the average time required to traverse the path as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. AAE increases as the average time to reach the destination shortens, i.e., the path length becomes shorter, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the density increase is measured as the difference between the final density minus the initial density as the number of ants increases, on a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math> rule. As the ants become denser, they become more action-efficient, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the absolute amount of entropy decrease, as the number of ants increases, on a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math> rule. As the ants become less random, they become more action-efficient, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the flow rate as the number of ants increases, on a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mi>ϕ</mi> </semantics></math> rule. As the ants visit the endpoints more often, they become more action-efficient, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the AAE at the end of the simulation versus the amount of pheromone, or information, as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>α</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<span class="html-italic">i</span> rule. As there is more information for the ants to follow, they become more action efficient on average, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the number of ants on a log–log scale, <span class="html-italic">Q</span>⇔<span class="html-italic">N</span> rule. As there are more agents in the system, the total amount of action increases proportionally, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the time required to traverse the path as the number of ants increases in a log–log scale, <span class="html-italic">Q</span>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. As there are more agents in the system, the total amount of action increases proportionally to the average time for one path, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the increase in density as the number of ants increases in a log–log scale, <span class="html-italic">Q</span>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math> rule. As the ants become more dense, there is more action in the system, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the absolute increase in entropy difference as the number of ants increases, on a log–log scale, <span class="html-italic">Q</span>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math> rule. As the entropy difference increases, there is more action within the system, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the flow rate as the number of ants increases, on a log–log scale, <span class="html-italic">Q</span>⇔<math display="inline"><semantics> <mi>ϕ</mi> </semantics></math> rule. As the ants visit the endpoints more often, there is more total action within the system, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total action at the end of the simulation versus the amount of pheromone as the number of ants increases in a log–log scale, <span class="html-italic">Q</span>⇔<span class="html-italic">i</span> rule. As there is more information for the ants to follow, there is more action within the system, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total pheromone at the end of the simulation versus the number of ants, on a log–log scale, <span class="html-italic">i</span>⇔<span class="html-italic">N</span> rule. As more ants are added to the simulation, there is more information for the ants to follow, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total pheromone at the end of the simulation versus the time required to traverse the path as the number of ants increases in a log–log scale, <span class="html-italic">i</span>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. As it takes less time for the ants to travel between the nodes, there is more information for the ants to follow and as there is more pheromone to follow, the trajectory becomes shorter—a positive feedback loop.</p>
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<p>Power–law scaling of the total pheromone at the end of the simulation versus the density increase as the number of ants increases in a log–log scale, <span class="html-italic">i</span>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math> rule. As the ants become more dense, there is more information for them to follow, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total pheromone at the end of the simulation versus the absolute increase in entropy difference as the number of ants increases in a log–log scale, <span class="html-italic">i</span>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math> rule. As the entropy difference increases, there is more information for the ants to follow and greater self-organization, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the total pheromone at the end of the simulation versus the flow rate as the number of ants increases in a log–log scale, <span class="html-italic">i</span>⇔<math display="inline"><semantics> <mi>ϕ</mi> </semantics></math> rule. As there are more visits, there is more information to follow, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the flow rate at the end of the simulation versus the number of ants, on a log-log scale, <math display="inline"><semantics> <mi>ϕ</mi> </semantics></math>⇔<span class="html-italic">N</span> rule. As more ants are added to the simulation and they are forming shorter paths in self-organization, the ants are visiting the endpoints more often, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the flow rate at the end of the simulation versus the time required to traverse between the nodes as the number of ants increases, on a log-log scale, <math display="inline"><semantics> <mi>ϕ</mi> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. As the path becomes shorter, the ants are visiting the endpoints more often, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the flow rate at the end of the simulation versus the increase in density as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mi>ϕ</mi> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math> rule. As the ants become more dense, they are visiting the endpoints more often, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the flow rate at the end of the simulation versus the absolute decrease in entropy as the number of ants increases, on a log–log scale, <math display="inline"><semantics> <mi>ϕ</mi> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math> rule. As the entropy decreases more, the ants are visiting the endpoints more often, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the absolute amount of entropy decrease versus the number of ants, on a log–log scale, <math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math>⇔<span class="html-italic">N</span> rule. As more ants are added to the simulation, there is a larger decrease in entropy reflecting a greater degree of self-organization, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the absolute amount of entropy decrease versus the time required to traverse the path at the end of the simulation as the number of ants increases, on a log–log scale, <math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. As it takes more time to move between the nodes with fewer ants, there is more of a decrease in entropy, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the absolute amount of entropy decrease versus the amount of density increase as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>s</mi> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math> rule. As the ants become more dense, there is a larger decrease in entropy, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the amount of density increase versus the number of ants, on a log–log scale, <math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math>⇔<span class="html-italic">N</span> rule. As more ants are added to the simulation, and they form shorter paths, density increases proportionally, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the amount of density increase versus the time required to traverse the path as the number of ants increases in a log–log scale, <math display="inline"><semantics> <mrow> <mi mathvariant="normal">Δ</mi> <mi>ρ</mi> </mrow> </semantics></math>⇔<math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math> rule. When there are more ants it takes less time to traverse the path, and there is more of an increase in density, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the time required to traverse the path versus the number of ants, on a log–log scale, <math display="inline"><semantics> <mrow> <mo>〈</mo> <mi>t</mi> <mo>〉</mo> </mrow> </semantics></math>⇔<span class="html-italic">N</span> rule. As more ants are added to the simulation, it takes less time to move between the nodes because they form a shorter path at the end of the simulation, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the final entropy at the end of the simulation versus population on a log–log scale, <math display="inline"><semantics> <msub> <mi>s</mi> <mi>f</mi> </msub> </semantics></math>⇔<span class="html-italic">N</span> rule. As the population increases, there is more entropy in the final most organized state, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the initial entropy on the first tick of the simulation versus the population on a log–log scale, <math display="inline"><semantics> <msub> <mi>s</mi> <mi>i</mi> </msub> </semantics></math>⇔<span class="html-italic">N</span> rule. As the population increases, there is more entropy, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the unit entropy at the end of the simulation versus population on a log–log scale, <math display="inline"><semantics> <msub> <mi>s</mi> <mi>u</mi> </msub> </semantics></math>⇔<span class="html-italic">N</span> rule. As there are more agents, there is less entropy per path at the end of the simulation, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the unit information at the end of the simulation versus population on a log–log scale, <math display="inline"><semantics> <msub> <mi>i</mi> <mi>u</mi> </msub> </semantics></math>⇔<span class="html-italic">N</span> rule. As there are more agents, there is less information per path at the end of the simulation as the path is shorter, and vice versa—a positive feedback loop.</p>
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<p>Power–law scaling of the progress of nucleosynthesis and the initial total number of solar masses on a log–log scale, illustrating the power–law scaling inherent in self-organizing systems. It relates to the predictions from the model in this paper and the simulation results. The initial metalicity of stars varies from bottom to top from 0 (circles), 0.001 (triangles), 0.004 (squares), and 0.02 (stars). Reproduced from Butler, T.H., et al. (2021) [<a href="#B20-processes-12-02937" class="html-bibr">20</a>]. Reproduced with permission from Springer Nature.</p>
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<p>Power–law scaling of the relationship between GDP and population for cities illustrates the power–law scaling in self-organizing systems. “A typical superlinear scaling law (solid line): Gross Metropolitan Product of US MSAs in 2006 (red dots) vs. population; the slope of the solid line has exponent, 1.126 (95% CI [1.101, 1.149])”. Reproduced from Bettencourt, L. M., et al. (2010) [<a href="#B91-processes-12-02937" class="html-bibr">91</a>]. This figure is reproduced under a Creative Commons Attribution (CC-BY) International License (<a href="http://creativecommons.org/licenses/by/4.0/" target="_blank">http://creativecommons.org/licenses/by/4.0/</a>, accessed on 20 November 2024).</p>
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21 pages, 5894 KiB  
Article
Modulation of Stress-Related Protein in the African Catfish (Clarias gariepinus) Using Bacillus-Based Non-Ribosomal Peptides
by Alexey Mikhailovich Neurov, Anna Andreevna Zaikina, Evgeniya Valer’evna Prazdnova, Ranjan Anuj and Dmitriy Vladimirovich Rudoy
Microbiol. Res. 2024, 15(4), 2743-2763; https://doi.org/10.3390/microbiolres15040182 (registering DOI) - 22 Dec 2024
Viewed by 169
Abstract
Probiotics, due to their multifaceted benefits to the host, are essential in medicine, agriculture, and aquaculture. The mechanisms of their action at the molecular level are complex and less explored. Both previous research and our own investigations have highlighted that incorporating probiotics into [...] Read more.
Probiotics, due to their multifaceted benefits to the host, are essential in medicine, agriculture, and aquaculture. The mechanisms of their action at the molecular level are complex and less explored. Both previous research and our own investigations have highlighted that incorporating probiotics into the feed of commercial fish can increase growth and influence the expression of genes related to stress and immunity. Additionally, probiotics with antioxidant properties often exert systemic effects. The aim of this work was to explore possible mechanisms of probiotic effects on stress-related proteins in African catfish C. gariepinus using molecular docking and dynamics approaches. Stress biomarker proteins such as catalase, cytochrome P450, HSP70, metallothionein 1, and superoxide dismutase were evaluated for possible interactions with bioactive non-ribosomal peptides (NRPs) from Bacillus subtilis R5, used as ligands. The study involved molecular docking and dynamics interactions between proteins and NRPs. The results of molecular docking and dynamics reveal multiple bindings between proteins and ligands, forming stable complexes, which may explain the mechanisms of action of probiotics and their particularly positive effects, such as the reduction in stress levels, which was demonstrated in the clarium catfish model in our previous work. Non-ribosomal peptides synthesized by probiotics may influence key signalling pathways underlying antioxidant and antimutagenic properties. Full article
(This article belongs to the Special Issue Bioactive Secondary Metabolites of Microbial Symbionts)
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<p>Interaction of catalase with bacillomycin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. ALA8, MET12, SER120, and PHE326 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Interaction of HSP70 with bacillomycin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. VAL61, HIS91, ASN237, and ARG263 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Three- and two-dimensional interactions of bacillomycin with (<b>a</b>) MT1, (<b>b</b>) SOD, and (<b>c</b>) cytochrome P450.</p>
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<p>Interaction of cytochrome P450 with fengycin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. GLN11 LEU262, TYR266, TYR325 and PHE326 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Interaction of catalase with fengycin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. GLN11 LEU262, TYR266, TYR325, and PHE326 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Three- and two-dimensional interactions of fengycin with (<b>a</b>) MT1, (<b>b</b>) SOD, and (<b>c</b>) HSP70.</p>
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<p>Interaction of cytochrome P450 with surfactin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. LEU25, SER50, and PRO54 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Interaction of catalase with surfactin: (<b>a</b>) complex, (<b>b</b>) three-dimensional view, (<b>c</b>) two-dimensional view. ALA8, GLU67, LEU262, TYR266, and PHE326 are key residues involved in the stabilization of the ligand–receptor complex.</p>
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<p>Three- and two-dimensional interactions of surfactin with (<b>a</b>) MT1, (<b>b</b>) SOD, and (<b>c</b>) HSP70. MT1 and SOD have been shown to have the most stable interactions with NRPs.</p>
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<p>(<b>a</b>) RMSD results for the catalase complex with bacillomycin. The RMSD plot shows an initial peak in the first few nanoseconds, reflecting the equilibrium when the system adapts, after which the protein and ligand stabilize, with oscillations indicating dynamic interactions, and differences in the curves indicate conformational changes in the protein under the influence of ligand binding. Number of interactions for the catalase complex with bacillomycin. (<b>b</b>) Two-dimensional diagram of interacting atoms of the catalase complex with bacillomycin. The following amino acids showed the longest interaction time: ASP259—95% NH, 98% OH, 44% H<sub>2</sub>O; TYR325—91% O; VAL323 81% NH; PRO322—74%; ASN321—67% OH.</p>
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<p>Number of interactions for the catalase complex with bacillomycin. The ligand to protein has 7 very stable bonds and 5 partially stable ones.</p>
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<p>(<b>a</b>) RMSD results for HSP70 complex with bacillomycin. RMSD and protein–ligand contact plots reveal an initial equilibrium phase followed by protein and ligand stabilization, with fluctuations indicating dynamic interactions and conformational changes caused by ligand binding. (<b>b</b>) Two-dimensional diagram of interacting atoms of HSP70 complex with bacillomycin. HIS91 showed the longest interaction time—86% NH. ARG74—52%. OH and LYS90—32%. NH ha d a prolonged interaction.</p>
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<p>Number of interactions for HSP70 complex with bacillomycin. The ligand to protein has 6 permanent bonds and 3 partially stable ones.</p>
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<p>(<b>a</b>) RMSD results for cytochrome P450 complex with fengycin. The RMSD and protein–ligand contact plots reveal that the system initially fluctuates before settling into equilibrium by 50 nanoseconds, with the protein and ligand reaching stability between 50 and 200 nanoseconds. (<b>b</b>) 2D diagram of interacting atoms of cytochrome P450 complex with fengycin. GLU232 showed the longest interaction time—84% NH3. SER63—63% O; ASP233—53% NH3; ASP51—38% O; PHE223—37% Pi–Pi stacking, which has a prolonged interaction.</p>
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<p>Number of interactions for cytochrome P450 complex with fengycin. The ligand to protein has 4 permanent bonds and 4 partially stable ones.</p>
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<p>(<b>a</b>) RMSD results for the catalase complex with fengycin. The RMSD and protein–ligand contacts plots illustrate the equilibration of the system, the stabilization of the protein and ligand, and the dynamic nature of protein–ligand interactions, with an initial RMSD spike indicating equilibration, followed by stabilization and fluctuations, suggesting conformational changes induced by ligand binding. (<b>b</b>) Two-dimensional diagram of interacting atoms of cytochrome P450 complex with fengycin. ASP263 showed the longest interaction time—94% NH3. LYS38—71% and 44% H<sub>2</sub>O, ARG263—49% H<sub>2</sub>O, and GLN11—34% H<sub>2</sub>O has a prolonged interaction.</p>
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<p>Number of interactions for the catalase complex with fengycin. The ligand to protein has 6 permanent bonds and 3 partially stable ones.</p>
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23 pages, 3211 KiB  
Article
Integrative Framework for Decoding Spatial and Temporal Drivers of Land Use Change in Malaysia: Strategic Insights for Sustainable Land Management
by Guanqiong Ye, Kehao Chen, Yiqun Yang, Shanshan Liang, Wenjia Hu and Liuyue He
Land 2024, 13(12), 2248; https://doi.org/10.3390/land13122248 - 21 Dec 2024
Viewed by 390
Abstract
Identifying the drivers of land use and cover change (LUCC) is crucial for sustainable land management. However, understanding spatial differentiation and conducting inter-regional comparisons of these drivers remains limited, particularly in regions like Malaysia, where complex interactions between human activities and natural conditions [...] Read more.
Identifying the drivers of land use and cover change (LUCC) is crucial for sustainable land management. However, understanding spatial differentiation and conducting inter-regional comparisons of these drivers remains limited, particularly in regions like Malaysia, where complex interactions between human activities and natural conditions pose significant challenges. This study presents a novel analytical framework to examine the spatial variations and complexities of LUCC, specifically addressing the spatiotemporal patterns, driving factors, and pathways of LUCC in Malaysia from 2010 to 2020. Integrating the land use transfer matrix, GeoDetector model, and Structural Equation Modeling (SEM), we reveal a significant expansion of farmland and urban areas alongside a decline in forest cover, with notable regional variations in Malaysia. Human-driven factors, such as population growth and economic development, are identified as the primary forces behind these changes, outweighing the influence of natural conditions. Critically, the interactions among these drivers exert a stronger influence on LUCC dynamics in Malaysia than any single factor alone, suggesting increasingly complex LUCC predictions in the future. This complexity emphasizes the urgency of proactive, multifaceted, and region-specific land management policies to prevent irreversible environmental degradation. By proposing tailored land management strategies for Malaysia’s five subnational regions, this study addresses spatial variations in drivers and climate resilience, offering a strategic blueprint for timely action that can benefit Malaysia and other regions facing similar challenges in sustainable land management. Full article
20 pages, 883 KiB  
Article
Evaluating the Safety Climate in Construction Projects: A Longitudinal Mixed-Methods Study
by Miaomiao Niu and Robert M. Leicht
Buildings 2024, 14(12), 4070; https://doi.org/10.3390/buildings14124070 - 21 Dec 2024
Viewed by 417
Abstract
Safety climate has been extensively studied using survey-based approaches, providing significant insights into safety perceptions and behaviors. However, understanding its dynamics in construction projects requires methods that address temporal and trade-specific variability. This study employs a longitudinal, mixed-methods design to explore safety climate [...] Read more.
Safety climate has been extensively studied using survey-based approaches, providing significant insights into safety perceptions and behaviors. However, understanding its dynamics in construction projects requires methods that address temporal and trade-specific variability. This study employs a longitudinal, mixed-methods design to explore safety climate dynamics. Quantitative data analyzed with ANOVA revealed stable overall safety climate scores across project phases, while Item Response Theory (IRT) identified survey items sensitive to safety climate changes. Positive perceptions were associated with management commitment and regular safety meetings, while negative perceptions highlighted challenges such as workplace congestion and impractical safety rules. Qualitative data from semi-structured interviews uncovered trade-specific and phase-specific safety challenges, including issues tied to site logistics and workforce dynamics. For instance, transitioning from structural to interior work introduced congestion-related risks and logistical complexities, underscoring the need for phase-adapted strategies. This combination of quantitative stability and qualitative variability provides empirical evidence of safety climate dynamics in construction. The findings emphasize the importance of tailoring safety interventions to address trade-specific and phase-specific risks. This study advances the understanding of the safety climate in dynamic work environments and offers actionable recommendations for improving construction safety management through targeted, proactive strategies. Full article
(This article belongs to the Special Issue Occupational Safety and Health in Building Construction Project)
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<p>Data collection procedures.</p>
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<p>Profiles of the respondents.</p>
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22 pages, 10397 KiB  
Article
Mannich Base Derived from Lawsone Inhibits PKM2 and Induces Neoplastic Cell Death
by Lucas Rubini-Dias, Tácio V. A. Fernandes, Michele P. de Souza, Déborah Hottz, Afonso T. Arruda, Amanda de A. Borges, Gabriel Ouverney, Fernando de C. da Silva, Luana da S. M. Forezi, Gabriel Limaverde-Sousa and Bruno K. Robbs
Biomedicines 2024, 12(12), 2916; https://doi.org/10.3390/biomedicines12122916 - 21 Dec 2024
Viewed by 407
Abstract
Background/Objectives: Pyruvate kinase M2, a central regulator of cancer cell metabolism, has garnered significant attention as a promising target for disrupting the metabolic adaptability of tumor cells. This study explores the potential of the Mannich base derived from lawsone (MB-6a) to [...] Read more.
Background/Objectives: Pyruvate kinase M2, a central regulator of cancer cell metabolism, has garnered significant attention as a promising target for disrupting the metabolic adaptability of tumor cells. This study explores the potential of the Mannich base derived from lawsone (MB-6a) to interfere with PKM2 enzymatic activity both in vitro and in silico. Methods: The antiproliferative potential of MB-6a was tested using MTT assay in various cell lines, including SCC-9, Hep-G2, HT-29, B16-F10, and normal human gingival fibroblast (HGF). The inhibition of PKM2 mediated by MB-6a was assessed using an LDH-coupled assay and by measuring ATP production. Docking studies and molecular dynamics calculations were performed using Autodock 4 and GROMACS, respectively, on the tetrameric PKM2 crystallographic structure. Results: The Mannich base 6a demonstrated selective cytotoxicity against all cancer cell lines tested without affecting cell migration, with the highest selectivity index (SI) of 4.63 in SCC-9, followed by B16-F10 (SI = 3.9), Hep-G2 (SI = 3.4), and HT-29 (SI = 2.03). The compound effectively inhibited PKM2 glycolytic activity, leading to a reduction of ATP production both in the enzymatic reaction and in cells treated with this naphthoquinone derivative. MB-6a showed favorable binding to PKM2 in the ATP-bound monomers through docking studies (PDB ID: 4FXF; binding affinity scores ranging from −6.94 to −9.79 kcal/mol) and MD simulations, revealing binding affinities stabilized by key interactions including hydrogen bonds, halogen bonds, and hydrophobic contacts. Conclusions: The findings suggest that MB-6a exerts its antiproliferative activity by disrupting cell glucose metabolism, consequently reducing ATP production and triggering energetic collapse in cancer cells. This study highlights the potential of MB-6a as a lead compound targeting PKM2 and warrants further investigation into its mechanism of action and potential clinical applications. Full article
(This article belongs to the Special Issue Drug Resistance and Novel Targets for Cancer Therapy—Second Edition)
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<p>Chemical structure of Mannich base derived from lawsone <b>MB-6a</b>.</p>
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<p>Substance <b>MB-6a</b> inhibited cell proliferation but did not impair migration at a sublethal concentration. (<b>A</b>) MTT assay results with <b>MB-6a</b>. Nonlinear regression curves representing cell viability reduction induced by substance <b>MB-6a</b> in SCC-9, HT-29, Hep-G2, B16-F10, and HGF cell lines. The graph represents the curve generated by the number of cells vs. concentration (log 10 µM). (<b>B</b>) Cell migration assay using SCC-9 cells. Images represent the scratch (wound) from 0 to 24 h in non-treated cells (DMSO) and treated with a sublethal concentration (7.03 µM) of <b>MB-6a</b>. (<b>C</b>) Wound width throughout the time. The percentage of wound width after treatment with <b>MB-6a</b> and the control (DMSO) at different time points are represented as mean ± SEM. Results were calculated from at least three independent experiments.</p>
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<p>PKM2 activity upon <b>MB-6a</b> treatment. (<b>A</b>) Glycolytic activity of PKM2 was inhibited by <b>MB-6a</b>. LDH coupled assay indicated dose-dependent inhibition of PKM2 activity. Nonlinear regression curves show PKM2 activity after treatment with <b>MB-6a</b> at different concentrations (squares). The control, Couma. 6e, is represented by circles, while negative control DMSO is represented by triangles. (<b>B</b>) Naphthoquinone <b>MB-6a</b> suppressed ATPase activity of PKM2. The degree of inhibition in ATP production by <b>MB-6a</b> or the control at a concentration equal to 1 × IC<sub>50</sub> is depicted. (<b>C</b>) Production of ATP in SCC-9 is reduced by <b>MB-6a</b>. Intracellular ATP levels were measured after treatment with four different concentrations of <b>MB-6a</b>. DMSO was used as the negative control for all assays. Results represent mean ± SEM from at least three independent experiments.</p>
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<p>Two-dimensional interaction diagram of <b>MB-6a</b> best-scoring pose of <b>MB-6a</b> with PKM2. The diagram represents the chain B<sub>PKM2</sub>-<b>MB-6a</b>-B complex, with key residues labeled and colored based on their type: negatively charged (orange), positively charged (blue), polar (light blue), and hydrophobic (light green). Two hydrogen bonds (indicated by purple arrows) and two salt bridges (red/blue gradient lines) were formed between the lawsone moiety and nearby residues. Additionally, a cation-π interaction (red line) was formed. The chlorobenzene region was solvent-exposed, as indicated by the gray circle.</p>
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<p>Conformational analysis of <b>MB-6a</b> binding to PKM2. (<b>A</b>) RMSD evolution over 300 ns of MD simulation for each <b>MB-6a</b> molecule (<b>MB-6a</b>-A to <b>MB-6a</b>-D), showing structural stability within 2Å deviation. The right panel shows the RMSD density distribution for each complex, highlighting the consistency of the structural stability. (<b>B</b>) Cluster analysis results with structural superposition of <b>MB-6a</b> conformations throughout the MD simulation. Numbers indicate distinct conformational clusters, with the predominant cluster representing 100%, 99.99%, 88.00%, and 75.61% of the simulation time for <b>MB-6a</b>-A, <b>MB-6a</b>-B, <b>MB-6a</b>-C, and <b>MB-6a</b>-D, respectively. The high percentage of the predominant cluster for each <b>MB-6a</b> molecule indicates stable binding modes with minimal conformational variations.</p>
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<p>Clustering results of the molecular dynamics simulation. Both axes represent simulation time in ps. The clustering analysis compares simulation frames, grouping similar poses of the ligand pocket region. Cluster analysis was performed for complexes A<sub>PKM2</sub>-<b>MB-6a</b>-A (<b>A</b>), B<sub>PKM2</sub>-<b>MB-6a</b>-B (<b>B</b>), and D<sub>PKM2</sub>-<b>MB-6a</b>-D (<b>C</b>), considering a 2 Å binning using the gromos algorithm. The graphs represent the root mean square deviation (RMSD) matrix on the upper left, and respective clusters plotted throughout 300 ns on the bottom right. Cluster indices are indicated by different colors.</p>
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<p>Energetic analysis of PKM2-<b>MB-6a</b> binding. (<b>A</b>) Time evolution of MMPBSA energy (kcal/mol) during the last 100 ns of MD simulation. (<b>B</b>–<b>D</b>) Per-residue energy decomposition analysis showing the contribution of individual residues to the total binding energy for A<sub>PKM2</sub>-<b>MB-6a</b>-A (<b>B</b>), B<sub>PKM2</sub>-<b>MB-6a</b>-B (<b>C</b>), and D<sub>PKM2</sub>-<b>MB-6a</b>-D (<b>D</b>). Negative values indicate favorable contributions to binding, while positive values represent unfavorable contributions.</p>
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<p>The 2D and 3D interaction diagrams of PKM2-<b>MB-6a</b> complexes from the last frame of MD simulation. (<b>A</b>) Three-dimensional representation showing the binding mode of <b>MB-6a</b> compounds in different chains of PKM2. Hydrogen bonds are highlighted with blue lines, halogen bonds with green lines, and hydrophobic contacts with dashed lines. Key interacting residues are labeled and shown as sticks. The interactions are highlighted in different boxes: <b>MB-6a</b>-A interacting with A<sub>PKM2</sub> (blue box), <b>MB-6a</b>-B interacting with B<sub>PKM2</sub> (red box), and <b>MB-6a</b>-D interacting with D<sub>PKM2</sub> (green box). (<b>B</b>) Two-dimensional interaction diagrams showing the binding mode of <b>MB-6a</b> with chains A, B, and D of PKM2. Residues are colored according to their type: negatively charged (orange), positively charged (blue), polar (light blue), and hydrophobic (light green). Different types of interactions are represented by distinct line styles: hydrogen bonds (blue arrows), halogen bonds (red arrows), and π-π stacking (green lines). Grey circles indicate solvent exposure. The <b>MB-6a</b> structure is shown in the center of each diagram, with key interaction features highlighted.</p>
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31 pages, 721 KiB  
Article
Modeling of Mechanical and Electrical Systems with Fractal Structure Under Impulse Action and Coherent Acceleration
by Sergei P. Kruchinin, Roberts I. Eglitis, Dmitrii S. Kruchinin, Iurii V. Krak, Vitalii P. Babak, Valery E. Novikov and Arkadiy P. Polishchuk
Symmetry 2024, 16(12), 1700; https://doi.org/10.3390/sym16121700 - 21 Dec 2024
Viewed by 310
Abstract
This study explores the applications of extended Gauss–Hertz variational principles to determine the evolution of complex systems under the influence of impulse actions, coherent accelerations, and their application to electrophysical systems with fractal elements. Impulsive effects on systems initiate coherent accelerations (including higher-order [...] Read more.
This study explores the applications of extended Gauss–Hertz variational principles to determine the evolution of complex systems under the influence of impulse actions, coherent accelerations, and their application to electrophysical systems with fractal elements. Impulsive effects on systems initiate coherent accelerations (including higher-order accelerations, such as modes with intensification), leading to variations in connections, structure, symmetry, and inertia; the emergence of coherence; and the evolution of fractal elements in electrophysical circuits. The combination of results from the non-local Vlasov theory and modifications to the Gauss–Hertz principle allows for the formulation of a variational principle for the evolution of fractal systems. A key feature of this variational principle is the ability to simultaneously derive equations for both the system’s dynamics and the self-harmonizing evolution of its internal symmetry and structure (e.g., fractal parameters). Full article
(This article belongs to the Section Physics)
19 pages, 2312 KiB  
Article
Auction-Based Policy of Brazil’s Wind Power Industry: Challenges for Legitimacy Creation
by Milton M. Herrera, Mauricio Uriona Maldonado and Alberto Méndez-Morales
Energies 2024, 17(24), 6450; https://doi.org/10.3390/en17246450 - 21 Dec 2024
Viewed by 298
Abstract
Brazil’s wind power industry (WPI) has thrived since the early 2000s, driven by a successful auction-based expansion plan. However, the recent rise of cost-competitive solar power and policy shifts favoring other energy sources, such as natural gas, have created uncertainty about the future [...] Read more.
Brazil’s wind power industry (WPI) has thrived since the early 2000s, driven by a successful auction-based expansion plan. However, the recent rise of cost-competitive solar power and policy shifts favoring other energy sources, such as natural gas, have created uncertainty about the future of wind energy in Brazil and reduced the wind sector’s legitimacy. Additionally, the cancellation of wind power auctions and support for other energy sources (evidenced by the new regulation for natural gas) has sent mixed signals to the market. These actions have sparked concerns regarding the future trajectory of the WPI. This paper focuses on the long-term effects of this energy policy decision on the so-called legitimacy function of the technological innovation systems (TIS) for the case of WPI in Brazil. The study aims to identify challenges arising from the growing appeal of solar power that may hinder wind energy adoption and to offer policy recommendations to strengthen the wind sector’s legitimacy. A system dynamics model is proposed to quantify such impacts in the long run, showing the interactions between the wind power capacity, wind generation costs, and the legitimacy function of the TIS. Results show the importance of policy consistency and institutional support in fostering a stable environment for renewable energy technologies like wind power to flourish. Full article
(This article belongs to the Section C: Energy Economics and Policy)
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<p>Main institutions present in the Brazilian regulated market.</p>
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<p>Stylised overview of the causal loop diagram.</p>
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<p>Overview of the SD model design.</p>
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<p>Validity testing for the installed capacity of wind power.</p>
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<p>Evolution of the market legitimacy of the wind power industry.</p>
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<p>Market share of solar and wind power for Scenario 4.</p>
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<p>The dynamic of wind generation under four scenarios.</p>
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<p>Simulation model–legitimacy module.</p>
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14 pages, 2426 KiB  
Article
Mechanistic Insights into the Adenosine A1 Receptor’s Positive Allosteric Modulation for Non-Opioid Analgesics
by Tal Weizmann, Abigail Pearce, Peter Griffin, Achille Schild, Maren Flaßhoff, Philipp Grossenbacher, Martin Lochner, Christopher A. Reynolds, Graham Ladds and Giuseppe Deganutti
Cells 2024, 13(24), 2121; https://doi.org/10.3390/cells13242121 - 21 Dec 2024
Viewed by 378
Abstract
The adenosine A1 receptor (A1R) is a promising target for pain treatment. However, the development of therapeutic agonists is hampered by adverse effects, mainly including sedation, bradycardia, hypotension, or respiratory depression. Recently discovered molecules able to overcome this impediment are the [...] Read more.
The adenosine A1 receptor (A1R) is a promising target for pain treatment. However, the development of therapeutic agonists is hampered by adverse effects, mainly including sedation, bradycardia, hypotension, or respiratory depression. Recently discovered molecules able to overcome this impediment are the positive allosteric modulator MIPS521 and the A1R-selective agonist BnOCPA, which are both potent and powerful analgesics with fewer side effects. While BnOCPA directly activates the A1R from the canonical orthosteric site, MIPS521 binds to an allosteric site, acting in concert with orthosteric adenosine and tuning its pharmacology. Given their overlapping profile in pain models but distinct mechanisms of action, we combined pharmacology and microsecond molecular dynamics simulations to address MIPS521 and BnOCPA activity and their reciprocal influence when bound to the A1R. We show that MIPS521 changes adenosine and BnOCPA G protein selectivity in opposite ways and propose a structural model where TM7 dynamics are differently affected and involved in the G protein preferences of adenosine and BnOCPA. Full article
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<p>(<b>a</b>) Structure of the A<sub>1</sub>R ligand simulated in this study: the agonists adenosine and BnOCPA and the positive allosteric modulator MIPS521; (<b>b</b>) membrane view of the orthosteric and allosteric binding site of the A<sub>1</sub>R (white ribbon) bound to the G<sub>αi</sub> protein (blue ribbon); (<b>c</b>,<b>d</b>) detailed binding mode of adenosine (orange) and MIPS521 (green) within their respective binding sites; (<b>e</b>) cAMP assay pEC50 of the A<sub>1</sub>R agonists CPA, BnOCPA, adenosine (ADO) and NECA at increasing concentrations of MIPS521 (10 nM, orange; 100 nM, purple; 1 μM, green, *: <span class="html-italic">p</span> = 0.0042 for BnOCPA; 10 μM, red, *: <span class="html-italic">p</span>  &lt;  0.0001 for all the agonists tested). (<b>f</b>) MIPS allosteric operator Logαβ measured for CPA (cyan), BnOCPA (purple), ADO (grey), and NECA (pink).</p>
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<p>(<b>a</b>–<b>d</b>) A<sub>1</sub>R Cα root mean square fluctuations (RMSFs) plotted on the receptor backbone, colour-coded, and with ribbon thickness proportional to the RMSF value for (<b>a</b>) ADO:A<sub>1</sub>R:G<sub>i2</sub>, (<b>b</b>) ADO:A<sub>1</sub>R:G<sub>i2</sub>:MIPS521, (<b>c</b>) BnOCPA:A<sub>1</sub>R:G<sub>i2</sub>, (<b>d</b>) BnOCPA:A<sub>1</sub>R:G<sub>i2</sub>:MIPS521; the orange rectangle in (<b>a</b>) indicates the MIPS521 binding site position. (<b>e</b>) Contacts between the A<sub>1</sub>R and adenosine or BnOCPA in a ternary or quaternary complex with G<sub>i2</sub> and MIPS521.</p>
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<p>(<b>a</b>) Intramolecular contacts between the A<sub>1</sub>R residues on TM7 and TM1 or TM2 during MD simulations of the A<sub>1</sub>R in a ternary complex with G<sub>i2</sub> and adenosine or BnOCPA or in a ternary or quaternary complex with G<sub>i2</sub> and MIPS521; standard deviations from 3 replicas are reported. (<b>b</b>–<b>e</b>) Network analysis of TM7 during MD simulations of the A<sub>1</sub>R in ternary complex with G<sub>i2</sub> and adenosine or BnOCPA, or a ternary or quaternary complex with G<sub>i2</sub> and MIPS521; Cα carbons are shown as van der Waals spheres (nodes) and node edges as black lines of thickness proportional to the structural information computed. (<b>f</b>,<b>g</b>) G<sub>oa</sub> and G<sub>ob</sub> activation of TRUPATH pEC50 for adenosine and BnOCPA<b>.</b></p>
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<p>MIPS521 probe-dependent effect and proposed model of G<sub>ob</sub> selectivity mediated by TM7. Adenosine (ADO) and MIPS521 favour the A<sub>1</sub>R selectivity towards G<sub>ob</sub>, in analogy with BnOCPA alone. MIPS521 shifts A<sub>1</sub>R signalling towards G<sub>oa</sub>, potentially producing undesired effects. TM7 dynamics, differently affected by adenosine and BnOCPA, are proposed to be crucial for MIPS521 probe-dependent signalling and, hence, for G<sub>oa</sub>/G<sub>ob</sub> selectivity.</p>
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19 pages, 16457 KiB  
Article
Temporal and Spatial Dynamics of Summer Crop Residue Burning Practices in North China: Exploring the Influence of Climate Change and Anthropogenic Factors
by Shuai Yin, Kunpeng Yi, Xiu Zhang, Tangzhe Nie, Lingqi Meng, Zhongyi Sun, Qingnan Chu, Zhipin Ai, Xin Zhao, Lan Wu, Meng Guo and Xinlu Liu
Remote Sens. 2024, 16(24), 4763; https://doi.org/10.3390/rs16244763 - 20 Dec 2024
Viewed by 222
Abstract
Better understanding the complex mechanisms underlying the variations in crop residue burning (CRB) intensity and patterns is crucial for evaluating control strategies and developing sustainable policies aimed at the efficient recycling of crop residues. However, the intricate interplay between the CRB practices, climate [...] Read more.
Better understanding the complex mechanisms underlying the variations in crop residue burning (CRB) intensity and patterns is crucial for evaluating control strategies and developing sustainable policies aimed at the efficient recycling of crop residues. However, the intricate interplay between the CRB practices, climate variability, and human activities poses a significant challenge in this endeavor. Here, we utilize the high spatiotemporal resolution of satellite observations to characterize and explore the dynamics of summer CRB in North China at multiple scales. Between 2003 and 2012, there was a significant intensification of summer CRB in North China, with the annual number of burning spots increasing by an average of 499 (95% confidence interval, 252–1426) spots/year. However, in 2013, China promulgated the stringent Air Pollution Prevention and Control Action Plan, which led to a rapid decrease in the intensity of summer CRB. Local farmers also adjusted their burning practices, shifting from concentrated and intense burning to a more dispersed and uniformly intense approach. Between 2003 and 2020, the onset of summer CRB shifted earlier in North China by 0.75 (0.5–1.1) days/year, which is attributed to the combined effects of climate change and anthropogenic controls. Specifically, the onset time is found to be significantly and negatively correlated with spring temperature anomalies and positively correlated with anomalies in the number of spring frost days. Climate change has led to a shortened crop growing season, resulting in an earlier start to summer CRB. Moreover, the enhanced anthropogenic controls on CRB expedited this process, making the trend of an earlier start time even more pronounced from 2013 to 2020. Contrary to the earlier onset of summer CRB, the termination of local wheat residue burning experienced a notable delay by 1.0 (0.8–1.4) days/year, transitioning from mid-June to early July. Full article
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<p>Distribution maps of the annual average (<b>a</b>) number of summer CRB spots and (<b>b</b>) corresponding FRP values from 2003 to 2020 in North China (area within the brown line; grid cell size 0.25° × 0.25°). The summer CRB season is defined as the period from 20 May to 10 July. BTH, Beijing–Tianjin–Hebei region.</p>
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<p>Interannual variations in the (<b>a</b>) number of summer CRB spots and (<b>b</b>) corresponding FRP values from 2003 to 2020. BTH, Beijing–Tianjin–Hebei region.</p>
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<p>Interannual spatial distribution of the Theil–Sen median estimator for summer CRB metrics: (<b>a</b>) the number of CRB spots from 2003 to 2012; (<b>b</b>) corresponding FRP values from 2003 to 2012; (<b>c</b>) the number of CRB spots from 2013 to 2020; (<b>d</b>) corresponding FRP values from 2013 to 2020.</p>
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<p>Temporal shifts in summer CRB regime in East China from 2003 to 2020: (<b>a</b>) estimated based on the number of CRB spots; (<b>b</b>) estimated based on the FRP values. The blocks represent the two-day summed CRB spots and FRP values.</p>
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<p>Temporal shifts in the summer CRB regime from 2003 to 2020 on a 1.0° × 1.0° grid: shift in the (<b>a</b>) start time and (<b>b</b>) end time based on the number of CRB spots; shift in the (<b>c</b>) start time and (<b>d</b>) end time based on FRP values. Positive and negative values indicate delays and advancements in the CRB regime, respectively. The trends were calculated by using the Theil–Sen median estimator. Black dots indicate grids with significant shifts (<span class="html-italic">p</span> &lt; 0.05).</p>
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<p>Scatter plots of the start times of summer CRB in North China in relation to meteorological factors in spring: between the start times of summer CRB and spring temperature anomalies from (<b>a</b>) 2003 to 2020, (<b>b</b>) 2003 to 2012, and (<b>c</b>) 2013 to 2020; between the start times of summer CRB and anomalies in the number of spring frost days from (<b>d</b>) 2003 to 2020, (<b>e</b>) 2003 to 2012, and (<b>f</b>) 2013 to 2020.</p>
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<p>Changes in (<b>a</b>) temperature and (<b>b</b>) the number of frost days in spring (March–May) from 2003 to 2020.</p>
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30 pages, 11240 KiB  
Article
Investigating the Potential Effects of Food Waste Reduction Interventions Within the Leafy Vegetable Supply Chain in Kermanshah Province, Iran
by Mostafa Moradi, Hossein Shabanali Fami, Ali Akbar Barati, Felicitas Schneider, Lusine Henrik Aramyan and Reza Salehi Mohammadi
Agriculture 2024, 14(12), 2344; https://doi.org/10.3390/agriculture14122344 - 20 Dec 2024
Viewed by 213
Abstract
Despite the increasing concerns regarding meeting the world’s future food demand, there is still a substantial quantity of food loss and waste (FLW), particularly concerning fruits and vegetables. In the case of Kermanshah province, inefficiencies within the leafy vegetable supply chpain (LVSC) contribute [...] Read more.
Despite the increasing concerns regarding meeting the world’s future food demand, there is still a substantial quantity of food loss and waste (FLW), particularly concerning fruits and vegetables. In the case of Kermanshah province, inefficiencies within the leafy vegetable supply chpain (LVSC) contribute to an alarming annual waste of 39% of leafy vegetables. Although several studies have proposed strategies and recommendations for mitigating this waste, the actual impact of these interventions on reducing FLW has not been thoroughly examined or quantified. Using System Dynamic Modeling, this study offers a novel approach to quantify the impact of interventions on waste reduction. The quantification results reveal four key interventions reducing vegetable waste at the production stage: biotic (31.2%) and abiotic stress control (14.4%), improved educational services (23.2%), and access to quality inputs (15.2%). Furthermore, the results suggest that early-stage factors in the LVSC play a crucial role in determining waste accumulation in later stages. Improvements in packaging facilities and cold supply chain infrastructure, along with better coordination and information sharing among stakeholders at the market stage, significantly help reduce waste. Additionally, effective planning for household food shopping is emphasized as a crucial strategy for minimizing waste at the consumption stage. This holistic approach focuses on the interconnectedness of actions across various stages of the supply chain and their combined effect on decreasing the overall waste of leafy vegetables. Full article
(This article belongs to the Section Agricultural Economics, Policies and Rural Management)
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<p>A map of the research area.</p>
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<p>The procedure of the study.</p>
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<p>Causal loop diagram of a waste system within the leafy vegetable supply chain [<a href="#B14-agriculture-14-02344" class="html-bibr">14</a>]. Note: (+)—Strengthening; (−)—Weakening.</p>
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<p>Stock and flow diagram of the waste system in the leafy vegetable supply chain [<a href="#B14-agriculture-14-02344" class="html-bibr">14</a>].</p>
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<p>Stock and flow diagram of the waste causes in various stages of the leafy vegetable supply chain.</p>
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<p>Confidence limits for four of the most important model variables.</p>
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<p>The amount of waste in LVSC.</p>
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<p>The effects of individual interventions on waste reduction at various stages of the LVSC.</p>
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<p>The effects of interventions on total annual waste reduction at various stages of the LVSC.</p>
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23 pages, 1847 KiB  
Article
Environmental and Energy Performances of the Nearly Net-Zero Energy Solar Decathlon House with Dynamic Facades: A Comparison of Four Climate Regions
by Fangfang Gong, Yongchao Ma, Feng Shi, Chen Chen, Linlin Tian and Jingjing Huang
Buildings 2024, 14(12), 4053; https://doi.org/10.3390/buildings14124053 - 20 Dec 2024
Viewed by 239
Abstract
Dynamic facades allow for effective climate adaptability, representing a new trend in future building envelope design. Present research on dynamic facades often focuses solely on certain aspects of the built environment or relies entirely on simulation outcomes. Meanwhile, the real-time changing nature of [...] Read more.
Dynamic facades allow for effective climate adaptability, representing a new trend in future building envelope design. Present research on dynamic facades often focuses solely on certain aspects of the built environment or relies entirely on simulation outcomes. Meanwhile, the real-time changing nature of dynamic facades poses challenges in accurately simulating these schemes. Therefore, it remains essential to quantify the energy consumption performances of different types of dynamic facades and their influence on the indoor environment comfort in response to ventilation, light, and thermal environment to improve energy savings. This study uses an energy management system to simulate the ability of five dynamic facades—an intelligent ventilated facade, a dynamic exterior shading, a dynamic interior shading, a buffer layer, and phase-change material (PCM) facades—to provide adequate comfort and reduce energy consumption in four climate zones in China. The simulation model of a nearly net-zero energy Solar Decathlon house “Nature Between” was validated with experimental data. Among the five dynamic facades, the energy-saving efficiency of intelligent ventilation was highest, followed by exterior shading. Compared with houses without dynamic facades, the use of the dynamic facades reduced energy consumption (and annual glare time) by 19.87% (90.65%), 22.37% (74.84%), 15.19% (72.09%), and 9.23% (75.53%) in Xiamen, Shanghai, Beijing, and Harbin, respectively. Findings regarding the dynamic facade-driven energy savings and favorable indoor environment comfort provide new and actionable insights into the design and application of dynamic facades in four climate regions in China. Full article
(This article belongs to the Special Issue Smart Technologies for Climate-Responsive Building Envelopes)
20 pages, 27951 KiB  
Article
Wetland Carbon Dynamics in Illinois: Implications for Landscape Architectural Practice
by Bo Pang and Brian Deal
Sustainability 2024, 16(24), 11184; https://doi.org/10.3390/su162411184 - 20 Dec 2024
Viewed by 329
Abstract
Wetlands play a crucial role in carbon sequestration. The integration of wetland carbon dynamics into landscape architecture, however, has been challenging, mainly due to gaps between scientific knowledge and landscape practice norms. While the carbon performance of different wetland types is well established [...] Read more.
Wetlands play a crucial role in carbon sequestration. The integration of wetland carbon dynamics into landscape architecture, however, has been challenging, mainly due to gaps between scientific knowledge and landscape practice norms. While the carbon performance of different wetland types is well established in the ecological sciences literature, our study pioneers the translation of this scientific understanding into actionable landscape design guidance. We achieve this through a comprehensive, spatially explicit analysis of wetland carbon dynamics using 2024 National Wetlands Inventory data and other spatial datasets. We analyze carbon flux rates across 13 distinct wetland types in Illinois to help quantify useful information related to designing for carbon outcomes. Our analysis reveals that in Illinois, bottomland forests function as primary carbon sinks (709,462 MtC/year), while perennial deepwater rivers act as significant carbon emitters (−2,573,586 MtC/year). We also identify a notable north–south gradient in sequestration capacity, that helps demonstrate how regional factors influence wetland and other stormwater management design strategies. The work provides landscape architects with evidence-based parameters for evaluating carbon sequestration potential in wetland design decisions, while also acknowledging the need to balance carbon goals with other ecosystem services. This research advances the profession’s capacity to move beyond generic sustainable design principles toward quantifiable climate-responsive solutions, helping landscape architects make informed decisions about wetland type selection and placement in the context of climate change mitigation. Full article
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<p>Carbon sequestration patterns in Illinois. Map showing net carbon flux rates (MtC/year) across Illinois wetlands in 2024. Dark blue areas indicate the highest carbon sequestration (23.76 to 191.5 MtC/year), while red areas show the highest carbon emissions (−131,500 to −11,470 MtC/year). Note: County boundaries are shown in gray.</p>
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<p>Wetland classification in northeast Illinois. Spatial distribution of wetland types showing the diversity of wetland ecosystems across northeast Illinois. Bottomland forests (dark green) form corridors along major river systems, with deep water systems (dark blue), shallow marshes (light green), and scrub–shrub wetlands (olive green) distributed throughout the region.</p>
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<p>Carbon sequestration patterns in northeast Illinois. Net carbon flux rates (MtC/year) across northeast Illinois wetlands. Dark blue areas indicate the highest carbon sequestration (23.76 to 191.5 MtC/year), corresponding primarily to bottomland forest corridors along major rivers. Red and orange areas show the highest carbon emissions (−131,500 to −11,470 MtC/year), typically associated with deep water river systems. The pattern reveals significant spatial variation between urbanized areas and surrounding landscapes.</p>
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<p>Illinois wetland carbon sequestration excluding open water systems (2024). Analysis of 1,279,362 acres of non-open water wetlands, collectively sequestering 840,770 MtC/year. The highest sequestration rates (3.06–191.52 MtC/year) are concentrated along major river corridors and in bottomland forests.</p>
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<p>Illinois wetland carbon sequestration excluding lakes and rivers (2024). Analysis of terrestrial wetlands sequestering 758,159 MtC/year across 1,442,633 acres. The highest sequestration values (1.71–191.52 MtC/year) are concentrated in northeastern Illinois and southern portions of the state.</p>
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