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A lack of high‐density rootzone soil moisture (θRZ) observations limits the estimation of continental‐scale, space‐time contiguous θRZ dynamics. We derive a proxy of daily θRZ dynamics — active rootzone degree of saturation (SRZ) — by recursive low‐pass (LP) filtering of surface soil moisture (θS) within a terrestrial water‐energy coupling (WEC) framework. We estimate the LP filter parameters and WEC thresholds for the piecewise‐linear coupling between SRZ and evaporative fraction (EF) at remote sensing and field scale over the Contiguous U.S. We use θS from the Soil Moisture Active‐Passive (SMAP) satellite and 218 in‐situ stations, with EF from the Moderate Resolution Imaging Spectroradiometer. The estimated SRZ compares well against SMAP Level‐4 estimates and in‐situ θRZ, at the corresponding scale. The instantaneous hydrologic state (SRZ) vis‐à‐vis the WEC thresholds is proposed as a rootzone soil moisture stress index (SMSRZ) for near‐real‐time operational agricultural drought monitoring and agrees well with established drought metrics. Plain Language Summary Rootzone soil moisture plays a vital role in agricultural, hydrological, and ecosystem processes. The available spaceborne satellites for monitoring soil moisture can only capture variability in a shallow soil layer at the surface, typically limited to the top 5 cm. Hence, spatiotemporally continuous estimation of rootzone soil moisture dynamics typically relies on soil moisture estimates from land‐surface models, which are subject to errors in the surface meteorological forcing data, process formulations, and model parameters. Some studies suggest that the rootzone soil moisture dynamics can be estimated by filtering the high‐frequency variability in the surface soil moisture. However, such “filters” require observed rootzone data (often unavailable at high spatial density) for calibration. This study uses the relationship between surface soil moisture and evaporative fraction derived using spaceborne observations from the Soil Moisture Active Passive mission and the Moderate Resolution Imaging Spectroradiometer to estimate rootzone soil moisture dynamics for the Contiguous U.S. at 9 km grid resolution. We further demonstrate that this approach can be extended into a near‐real‐time agricultural drought monitor to assess drought impacts on vegetation using surface soil moisture observations. Key Points Terrestrial water‐energy coupling is used to parameterize low‐pass filter to estimate rootzone dynamics from surface soil moisture Rootzone degree of saturation and water‐energy coupling thresholds are estimated using evaporative fraction and surface soil moisture SMAP‐based rootzone degree of saturation can used for operational, near‐real‐time agricultural drought monitoring over Contiguous U.S

As an important supporting technology for carbon neutrality strategy, the combination of an integrated energy system and hydrogen storage is expected to become a key research direction. To address the insufficient flexibility of multi-energy coupling in the integrated energy system and the overall strategic demand of low-carbon development, a multi-storage integrated energy system architecture that includes electric storage, heat storage and hydrogen storage is established. Then, according to the system status factors, such as energy cost, response characteristics and energy storage status, a hierarchical energy supply control strategy focusing on the energy supply priority of energy storage units is proposed. NSGA-II-MOABC is created as the optimization algorithm to meet the demand of multi-energy coupling energy supply in the integrated energy system. Next, considering the system operational cost and carbon emission cost as the optimization goal, a comprehensive energy optimization scheduling model of multi-storage combined hierarchical energy supply is constructed. Based on the simulation example, the scheduling results of the multi-storage combined system are obtained, through comparative analysis, the addition of hydrogen storage can effectively improve the flexibility of system scheduling. Then, taking several scenarios as simulation examples, the hierarchical energy supply strategy can effectively reduce the system operation cost and carbon emission cost, and it also has a certain role in realizing the local consumption of renewable energy.

Understanding the food-energy-water nexus is necessary to identify risks and inform strategies for nexus governance to support resilient, secure, and sustainable societies. To manage risks and realize efficiencies, we must understand not only how these systems are physically connected but also how they are institutionally linked. It is important to understand how actors who make planning, management, and policy decisions understand the relationships among components of the systems. Our question is: How do stakeholders involved in food, energy, and water governance in Phoenix, Arizona understand the nexus and what are the implications for integrated nexus governance? We employ a case study design, generate qualitative data through focus groups and interviews, and conduct a content analysis. While stakeholders in the Phoenix area who are actively engaged in food, energy, and water systems governance appreciate the rationale for nexus thinking, they recognize practical limitations to implementing these concepts. Concept maps of nexus interactions provide one view of system interconnections that be used to complement other ways of knowing the nexus, such as physical infrastructure system diagrams or actor-networks. Stakeholders believe nexus governance could be improved through awareness and education, consensus and collaboration, transparency, economic incentives, working across scales, and incremental reforms.

Integrated energy systems (IESs) strengthen electricity–gas–heat multi-energy coupling and reduce wind and light abandonment. For grids with superior distribution, IESs are similar to virtual energy storage systems and are able to realize efficient interaction with the grid by synergizing the operating status of the internal equipment and improving the security, economy, and flexibility of the grid’s operation. However, the internal equipment coupling of an IES is complex, and determining how to evaluate its adjustable capacity range (that is, the upper and lower boundaries of its external energy demand) considering the uncertainty and volatility of wind power and photovoltaic output is a problem to be solved. To solve this problem, this paper presents a chance-constrained evaluation method for the adjustable capacity of IESs. Firstly, mathematical models and operational constraints of each device within the IES are established. Secondly, based on the mathematical model of chance-constrained planning, an adjustable capacity range assessment model considering the uncertainty of wind and photovoltaic output is established. Finally, the MATLAB/Yalmip/Gurobi solver is used for the optimization solution, and the adjustable capacity range interval of the constructed IES model is solved using an arithmetic example to analyze and verify the correctness and validity of the method and to study the influencing factors of its adjustable range.

This study investigates the latitudinal characteristics of the nighttime electron temperature, as observed by the Defense Meteorological Satellite Program F16 satellite, and its dependence on solar and geomagnetic activities between 2013 and 2022 in the topside ionosphere, only for the winter hemispheres. The electron temperature in both hemispheres exhibited a low-temperature zone at the equator and a double high-temperature zone at the sub-auroral and auroral latitudes along the magnetic latitude. In addition, we further studied the temperature crest/trough positions in the temperature zone at different latitudes. As the solar activity intensity decreased (increased), the temperature trough position at the equator shifted from the Southern (Northern) to the Northern (Southern) Hemisphere, and the temperature double-crest positions at the sub-auroral and auroral latitudes gradually approached (moved away from) each other. Furthermore, during the geomagnetic disturbance time, the temperature double-crest positions both moved toward lower latitudes, but the temperature trough position was not sensitive to geomagnetic activity. Our analysis demonstrates that the values and correlations of the electron temperature and density varied in different temperature characteristic zones (the temperature crest/trough positions ±2°), possibly due to the different energy control factors of the electrons at different latitudes. This may also indirectly indicate the energy coupling process between the topside ionosphere and different regions at different latitudes.

Background Fe 3 O 4 nanoparticles are highly desired for constructing endogenous magnetic microenvironment in scaffold to accelerate bone regeneration due to their superior magnetism. However, their random arrangement easily leads to mutual consumption of magnetic poles, thereby weakening the magnetic stimulation effect. Methods In this study, magnetic nanochains are synthesized by magnetic-field-guided interface co-assembly of Fe 3 O 4 nanoparticles. In detail, multiple Fe 3 O 4 nanoparticles are aligned along the direction of magnetic force lines and are connected in series to form nanochain structures under an external magnetic field. Subsequently, the nanochain structures are covered and fixed by depositing a thin layer of silica (SiO 2 ), and consequently forming linear magnetic nanochains (Fe 3 O 4 @SiO 2 ). The Fe 3 O 4 @SiO 2 nanochains are then incorporated into poly l-lactic acid (PLLA) scaffold prepared by selective laser sintering technology. Results The results show that the Fe 3 O 4 @SiO 2 nanochains with unique core–shell structure are successfully constructed. Meanwhile, the orderly assembly of nanoparticles in the Fe 3 O 4 @SiO 2 nanochains enable to form magnetic energy coupling and obtain a highly magnetic micro-field. The in vitro tests indicate that the PLLA/Fe 3 O 4 @SiO 2 scaffolds exhibit superior capacity in enhancing cell activity, improving osteogenesis-related gene expressions, and inducing cell mineralization compared with PLLA and PLLA/Fe 3 O 4 scaffolds. Conclusion In short, the Fe 3 O 4 @SiO 2 nanochains endow scaffolds with good magnetism and cytocompatibility, which have great potential in accelerating bone repair.

Starting from the universal concept of entropy production, a large number of new results are obtained and a wealth of novel thermodynamic, kinetic, and molecular mechanistic insights are provided into the coupling of oxidation and ATP synthesis in the vital process of oxidative phosphorylation (OX PHOS). The total dissipation, Φ , in OX PHOS with succinate as respiratory substrate is quantified from measurements, and the partitioning of Φ into the elementary components of ATP synthesis, leak, slip, and other losses is evaluated for the first time. The thermodynamic efficiency, η , of the coupled process is calculated from the data on Φ and shown to agree well with linear nonequilibrium thermodynamic calculations. Equations for the P/O ratio based on total oxygen consumed and extra oxygen consumed are derived from first principles and the source of basal (state 4) mitochondrial respiration is postulated from molecular mechanistic considerations based on Nath’s two-ion theory of energy coupling within the torsional mechanism of energy transduction and ATP synthesis. The degree of coupling, q , between oxidation and ATP synthesis is determined from the experimental data and the irreversible thermodynamics analysis. The optimality of biological free energy converters is explored in considerable detail based on (i) the standard biothermodynamic approach, and (ii) a new biothermokinetic approach developed in this work, and an effective solution that is shown to arise from consideration of the molecular aspects in Nath’s theory is formulated. New experimental data in state 4 with uncouplers and redox inhibitors of OX PHOS and on respiratory control in the physiological state 3 with ADP and uncouplers are presented. These experimental observations are shown to be incompatible with Mitchell’s chemiosmotic theory. A novel scheme of coupling based on Nath’s two-ion theory of energy coupling within the torsional mechanism is proposed and shown to explain the data and also pass the test of consistency with the thermodynamics, taking us beyond the chemiosmotic theory. It is concluded that, twenty years since its first proposal, Nath’s torsional mechanism of energy transduction and ATP synthesis is now well poised to catalyze the progress of experimental and theoretical research in this interdisciplinary field.

Oxygen exchange reactions occurring at β-catalytic sites of the FOF1-ATP synthase/F1-ATPase imprint a unique record of molecular events during the catalytic cycle of ATP synthesis/hydrolysis. This work presents a new theory of oxygen exchange and tests it on oxygen exchange data recorded on ATP hydrolysis by mitochondrial F1-ATPase (MF1). The apparent rate constant of oxygen exchange governing the intermediate Pi–HOH exchange accompanying ATP hydrolysis is determined by kinetic analysis over a ~50,000-fold range of substrate ATP concentration (0.1–5000 μM) and a corresponding ~200-fold range of reaction velocity (3.5–650 [moles of Pi/{moles of F1-ATPase}−1 s−1]). Isotopomer distributions of [18O]Pi species containing 0, 1, 2, and 3 labeled oxygen atoms predicted by the theory have been quantified and shown to be in perfect agreement with the experimental distributions over the entire range of medium ATP concentrations without employing adjustable parameters. A novel molecular mechanism of steady-state multisite ATP hydrolysis by the F1-ATPase has been proposed. Our results show that steady-state ATP hydrolysis by F1-ATPase occurs with all three sites occupied by Mg-nucleotide. The various implications arising from models of energy coupling in ATP synthesis/hydrolysis by the ATP synthase/F1-ATPase have been discussed. Current models of ATP hydrolysis by F1-ATPase, including those postulated from single-molecule data, are shown to be effectively bisite models that contradict the data. The trisite catalysis formulated by Nath’s torsional mechanism of energy transduction and ATP synthesis/hydrolysis since its first appearance 25 years ago is shown to be in better accord with the experimental record. The total biochemical information on ATP hydrolysis is integrated into a consistent model by the torsional mechanism of ATP synthesis/hydrolysis and shown to elucidate the elementary chemical and mechanical events within the black box of enzyme catalysis in energy metabolism by F1-ATPase.

The Warburg Effect is a longstanding enigma in cancer biology. Despite the passage of 100 yr since its discovery, and the accumulation of a vast body of research on the subject, no convincing biochemical explanation has been given for the original observations of aerobic glycolysis in cancer cell metabolism. Here, we have worked out a first-principles quantitative analysis of the problem from the principles of stoichiometry and available electron balance. The results have been interpreted using Nath’s unified theory of energy coupling and adenosine triphosphate (ATP) synthesis, and the original data of Warburg and colleagues have been analyzed from this new perspective. Use of the biomass yield based on ATP per unit substrate consumed, ${{Y}_{X/S}}\\ ATP$, or the Nath-Warburg number, NaWa has been shown to excellently model the original data on the Warburg Effect with very small standard deviation values, and without employing additional fitted or adjustable parameters. Based on the results of the quantitative analysis, a novel conservative mechanism of synthesis, utilization, and recycling of ATP and other key metabolites (eg, lactate) is proposed. The mechanism offers fresh insights into metabolic symbiosis and coupling within and/or among proliferating cells. The fundamental understanding gained using our approach should help in catalyzing the development of more efficient metabolism-targeting anticancer drugs. Graphical Abstract Graphical Abstract

Mechanisms coupling the chemical reactions of oxidation and ATP synthesis in cellular metabolism by the fundamental biological process of oxidative phosphorylation (OX PHOS) in mitochondria provide > 90% of the energy requirements in living organisms. Mathematical graph theory methods have been extensively used to characterize various metabolic, regulatory, and disease networks in biology. However, networks of energy coupling mechanisms in OX PHOS have not been represented and analyzed previously by these approaches. Here, the problem of biological energy coupling is translated into a graph-theoretical framework, and all possible coupling schemes between oxidation and ATP synthesis are represented as graphs connecting these processes by various intermediates or states. The problem is shown to be transformed into the hard problem of finding a Hamiltonian tour in the networks of possible constituent mechanisms, given the constraints of a cyclical nature of operation of enzymes and biological molecular machines. Accessible mathematical proofs of three theorems that guarantee sufficient conditions for the existence of a Hamiltonian cycle in simple graphs are provided. The results of the general theorems are applied to the set of possible coupling mechanisms in OX PHOS and shown to (1) unequivocally differentiate between the major theories and mechanisms of energy coupling, (2) greatly reduce the possibilities for detailed consideration, and (3) deduce the biologically selected mechanism using additional constraints from the cumulative experimental record. Finally, an algorithm is constructed to implement the graph-theoretical procedure. In summary, the enormous power and generality of mathematical theorems and approaches in graph theory are shown to help solve a fundamental problem in biology.