Energetic Model Research Articles

Heart Failure: A Deficiency of Energy—A Path Yet to Discover and Walk

Heart failure is a complex syndrome and our understanding and therapeutic approach relies mostly on its phenotypic presentation. Notably, the heart is characterized as the most energy-consuming organ, being both a producer and consumer, in order to satisfy multiple cardiac functions: ion exchange, electromechanical coordination, excitation–contraction coupling, etc. By obtaining further knowledge of the cardiac energy field, we can probably better characterize the basic pathophysiological events occurring in heart disease patients and understand the metabolic substance changes, the relationship between the alteration of energy production/consumption, and hence energetic deficiency not only in the heart as a whole but in every single cardiac territory, which will hopefully provide us with the opportunity to uncover the beginning of the heart failure process. In this respect, using (a) newer imaging techniques, (b) biomedicine, (c) nanotechnology, and (d) artificial intelligence, we can gain a deeper understanding of this complex syndrome. This, in turn, can lead to earlier and more effective therapeutic approaches, ultimately improving human health. To date, the scientific community has not given sufficient attention to the energetic starvation model. In our view, this review aims to encourage scientists and the medical community to conduct studies for a better understanding and treatment of this syndrome.

Employing binary/ternary organic blends in integrated HP-assisted HDH desalination systems

The global demand for potable water is rising, prompting the development of various energy systems for distilled water production. However, the significance of utilizing multicomponent working fluids in these systems has been largely overlooked. This study presents three HDH-based distillation units powered by two conventional heat pump cycles, namely, the simple and vapor injection heat pumps (first and second models) and an innovative heat pump cycle with an ejector expander (third model). The significance of the research lies in its pioneering investigation of utilizing two- and three-component mixtures in heat pump-based desalination units, which has not been previously explored. The study's primary aim is to determine whether using multicomponent working fluids instead of pure fluids or introducing structural modifications can more effectively enhance the performance of heat pump-based distillation units. The proposed models are simulated using EES and MATLAB software, with the study focusing on energetic, exergetic, exergoeconomic, and heat exchanger modeling to evaluate the feasibility of the configurations. The findings revealed that the structural modifications in the third scenario using R134a resulted in the highest GOR, with improvements of 44 % and 26.03 %, respectively, compared to the other scenarios. However, utilizing binary blend R22/R142b with different compositions improved the GOR of the first to three scenarios by 41.26 %, 29.06 %, and 11.87 %, respectively. Furthermore, in this case, the unit cost of distilled water for the first, second, and third scenarios increased by 12.87 %, 14.32 %, and 12.70 %, respectively. Finally, the first scenario has the highest NPV of 4.40 M$ and the shortest PP of 8.13 years. Therefore, utilizing the blend in a simple heat pump proves to be more efficient and cost-effective than implementing structural modifications.

Theoretical Study on the Mechanism of Ru(II)-Catalyzed Intermolecular [3 + 2] Annulation between o-Toluic Acid and 3,5-Bis(trifluoromethyl)benzaldehyde: Octahedral vs Trigonal Bipyramidal.

Density functional theory was utilized to investigate the mechanism of Ru(II)-catalyzed aromatic C-H activation and addition of aromatic aldehydes. The proposed catalytic cycle consists of C-H bond activation, aldehyde carbonyl insertion for C-C coupling, lactonization for the formation of the final product, product separation, and catalyst recovery. Our calculations suggest that Ru(OAc)2(PCy3) (referred to as CAT) is the most favorable active catalyst, facilitating the C-H bond activation to form a five-membered ring cycloruthenium intermediate (INT2). Subsequently, the aromatic aldehyde reactant 2a enters the Ru coordination sphere, accelerating the C-C coupling and lactonization for the formation of the final product. The involvement of acetate assists in the final product separation, while INT1 re-enters the Ru coordination sphere to initiate a new catalytic cycle. Utilizing the energetic span model, the apparent activation free energy barrier was computed to be 34.3 kcal mol-1 at 443 K. Furthermore, exploration of the reaction mechanism in the absence of phosphine ligands identified Ru(OAc)2(p-cymene) as the most favorable active catalyst. The derived apparent activation free energy barrier offers a comprehensive explanation for the experimentally observed yields. Additionally, we have examined the disparities between the octahedral and trigonal bipyramidal structures of the catalysts concerning their effects on the reaction mechanisms and apparent activation free energy barriers.

Migratory lifestyle carries no added overall energy cost in a partial migratory songbird.

Seasonal bird migration may provide energy benefits associated with moving to areas with less physiologically challenging climates or increased food availability, but migratory movements themselves may carry high costs. However, time-dynamic energy profiles of free-living migrants-especially small-bodied songbirds-are challenging to measure. Here we quantify energy output and thermoregulatory costs in partially migratory common blackbirds using implanted heart rate and temperature loggers paired with automated radio telemetry and energetic modelling. Our results show that blackbirds save considerable energy in preparation for migration by decreasing heart rate and body temperature 28 days before departure, potentially dwarfing the energy costs of migratory flights. Yet, in warmer wintering areas, migrants do not appear to decrease total daily energy expenditure despite a substantially reduced cost of thermoregulation. These findings indicate differential metabolic programmes across different wintering strategies despite equivalent overall energy expenditure, suggesting that the maintenance of migration is associated with differences in energy allocation rather than with total energy expenditure.

190 Implementation of an updated beef energetics and body composition model in the Crop Livestock Enterprise Model (CLEM)

Abstract The Crop Livestock Enterprise Model (CLEM) is a whole-farm bioeconomic model designed to simulate and explore ruminant performance across a wide range of production systems and management strategies. The model features a flexible, component-based structure that allows users to simulate multiple types of livestock production within the same system. Animals in the model are represented on an individual basis, allowing users to explore the effects of between-animal variation on a wide range of performance metrics at the animal and farm system levels. Recently, two new features were introduced to improve ability of CLEM to represent ruminant production systems: a user-defined timestep, and a new energetics model (based on the Australian ruminant feeding standards) that adds the ability to model changes in body composition in addition to existing predictions of body weight gain and feed intake. The change in timestep from monthly to daily was required to implement the new energetics model and allows for greater ability to compare CLEM results against field data, but other timesteps (e.g., weekly) can also be used depending on user preference. The Australian ruminant feeding standards were integrated with the existing CLEM modelling framework to create a revised energetics model for CLEM capable of predicting body composition, with additional updates to prediction of relative feed intake and the effect of diet type on feed quality. The energetics model was then evaluated for prediction of feed intake (DMI), final empty body weight (EBW), and fat and protein gain (Table 1) in feedlot cattle. The evaluation dataset consisted of treatment means (n = 29) from studies of Angus or British cross steers whose body composition (fat and protein) had been measured by serial slaughter. The updated model performed well for predicting final EBW, underpredicting by 2.35 kg on average (0.55% of the observed mean). Dry matter intake was underpredicted for 80% of treatments, with mean bias averaging 1.7 kg/d across all treatments and a root mean square prediction error (RMSPE, % of the observed mean) of 25%. Data on fat and protein gain was more variable than for EBW, and the model overpredicted protein gain and underpredicted fat gain in general, with mean bias of -51 g/d (RMSPE 42%) for protein and 270 g/d (RMSPE 58%) for fat. The addition of a daily timestep and a revised energetics model add to utility of CLEM by allowing for more in-depth exploration of the effects of feeding and management over time on intake, body weight gain, and body composition. The current version of CLEM can be downloaded from the APSIM Initiative website; and an upcoming update with additional options for prediction of intake and performance for both feedlot and grazing cattle will be made available.

Density-based quantification of steric effects: validation by Taft steric parameters from acid-catalyzed hydrolysis of esters.

The steric effect is one of the most widely used concepts for chemical understanding in publications and textbooks, yet a well-accepted formulation of this effect is still elusive. Experimentally, this concept was quantified by the acid-catalyzed hydrolysis of esters, yielding the so-called Taft steric parameter. Theoretically, we recently proposed a density-based scheme to quantify the effect from density functional theory. In this work, we directly compare these two schemes, one from theory and the other from experiment. To this end, we first establish the ester hydrolysis mechanism with multiple water molecules explicitly considered and then apply the energetic span model to represent the hydrolysis barrier height between the two schemes. Our results show that the barrier height of the reaction series is strongly correlated with both Taft steric parameters from experiment and steric quantification from theory. We also obtained strong correlations with steric potential, steric force, and steric charge from our theoretical scheme. Strong correlations with a few information-theoretic quantities are additionally unveiled. To the best of our knowledge, this is the first time in the literature that such a direct comparison between theoretical and experimental results is made. These results also suggest that our proposed two-water three-step mechanism for ester hydrolysis is effective, and our theoretical quantification of the steric effect is valid, robust, and experimentally comparable. In our view, this work should have satisfactorily addressed the issue of how the steric effect can be formulated and quantified, and thus it lays the groundwork for future applications.

Revealing the Effect of Dynamic Structural Evolution on Triple Junction Deformation Mechanism: Molecular Dynamics Simulations and an Energetic Model

Abstract Triple junction (TJ) migration is a plastic deformation mechanism in polycrystalline metals mediated by the interplay between neighboring grain boundaries (GBs). Compared with GB migration, the dynamic change of TJ structure during migration and its impact on subsequent TJ behavior is often overlooked. In this study, we explore the effect of dynamic TJ structure evolution on TJ deformation mechanism in a face-centered cubic metal Au model using molecular dynamics simulations. Our analysis reveals that the dislocation accumulation at TJ due to inconsistent disconnection nucleation from neighboring GBs can influence the stick-slip behavior of TJ migration. With the dynamic change of TJ structure, the velocity of TJ migration is gradually reduced, leading to a transition from TJ migration to dislocation emission from TJ. We have developed an energetic model to evaluate the critical stresses required for TJ migration and dislocation emission, providing an explanation of the competition between TJ migration and dislocation emission. Our findings deepen the understanding of TJ-governed plastic deformation mechanisms in polycrystalline materials.

Unactivated Pd-catalyzed oxidative cross-coupling reactions of arenes with benzene: a theoretical and experimental study

Oxidative C–H bond activated palladium-catalyzed aromatic cross-coupling reactions offer advantages of fewer required synthetic steps but disadvantages of loss of inherent regioselectivity and selectivity. In one proposed catalytic cycle, each arene adds to a palladium carboxylate catalyst according to a concerted metalation deprotonation mechanism, followed by reductive elimination to couple the arenes and the replenishment of the catalyst by an oxidant. Using this proposed mechanism, molecular structures and free energy profiles were calculated for coupling of benzene with a range of heteroarenes containing various substituents and with several Pd-carboxylate catalysts. Reaction kinetics were analysed using the energetic span model, predicting turnover frequencies (TOFs) of heterocoupling (HB and BH) and homocoupling (HH and BB) pathways and assessing degrees of turnover frequency control (XTOFs). More electron-withdrawing carboxylate ligands and more electron-donating heteroarene substituents decrease activation and reaction free energies of addition steps, with C-2 more favourable than C-3. When heteroarene and catalyst choice are particularly favourable, the first association can become exergonic, causing a significant change in catalytic kinetics. When not exergonic, free energy for addition of benzene is almost always higher, leading to large energetic spans and slower TOFs (BB < HB < BH < HH). Non-exergonic pathways are also faster with more electron-withdrawing ligands and more electron-donating heteroarene substituents because of lower energy addition steps and a smaller energetic span. For exergonic associations, the low-energy arene–catalyst intermediate creates a larger energetic span, slowing down the HH and HB pathways. More electron-withdrawing ligands and more electron-donating substituents increase the relative TOF for BH, and the reaction requires only small excesses of benzene to induce heterocoupling.

Proteo-metabolomics and patient tumor slice experiments point to amino acid centrality for rewired mitochondria in fibrolamellar carcinoma

Fibrolamellar carcinoma (FLC) is a rare, lethal, early-onset liver cancer with a critical need for new therapeutics. The primary driver in FLC is the fusion oncoprotein, DNAJ-PKAc, which remains challenging to target therapeutically. It is critical, therefore, to expand understanding of the FLC molecular landscape to identify druggable pathways/targets. Here, we perform the most comprehensive integrative proteo-metabolomic analysis of FLC. We also conduct nutrient manipulation, respirometry analyses, as well as key loss-of-function assays in FLC tumor tissue slices from patients. We propose a model of cellular energetics in FLC pointing to proline anabolism being mediated by ornithine aminotransferase hyperactivity and ornithine transcarbamylase hypoactivity with serine and glutamine catabolism fueling the process. We highlight FLC's potential dependency on voltage-dependent anion channel (VDAC), a mitochondrial gatekeeper for anions including pyruvate. The metabolic rewiring in FLC that we propose in our model, with an emphasis on mitochondria, can be exploited for therapeutic vulnerabilities.

PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous Solution.

Electron density-based implicit solvation models are a class of techniques for quantifying solvation effects and calculating free energies of solvation without an explicit representation of solvent molecules. Integral to the accuracy of solvation modeling is the proper definition of the solvation shell separating the solute molecule from the solvent environment, allowing for a physical partitioning of the free energies of solvation. Unlike state-of-the-art implicit solvation models for molecular quantum chemistry calculations, e.g., the solvation model based on solute electron density (SMD), solvation models for systems under periodic boundary conditions with plane-wave (PW) basis sets have been limited in their accuracy. Furthermore, a unified implicit solvation model with both homogeneous solution-phase and heterogeneous interfacial structures treated on equal footing is needed. In order to address this challenge, we developed a high-accuracy solvation model for periodic PW calculations that is applicable to molecular, ionic, interfacial, and bulk-phase chemistry. Our model, PW-SMD, is an extension of the SMD molecular solvation model to periodic systems in water. The free energy of solvation is partitioned into the electrostatic and cavity-dispersion-solvent structure (CDS) contributions. The electrostatic contributions of the solvation shell surrounding solute structures are parametrized based on their geometric and physical properties. In addition, the nonelectrostatic contribution to the solvation energy is accounted for by extending the CDS formalism of SMD to incorporate periodic boundary conditions. We validate the accuracy and robustness of our solvation model by comparing predicted solvation free energies against experimental data for molecular and ionic systems, carved-cluster composite energetic models of solvated reaction energies and barriers on surface systems, and deep-learning-accelerated ab initio molecular dynamics (AIMD). Our developed periodic implicit solvation model shows significantly improved accuracy compared to previous work (namely, solvation models in aqueous solution) and can be applied to simulate solvent effects in a wide range of surface and crystalline materials.

Neural networks for boosted di-τ identification

We train several neural networks and boosted decision trees to discriminate fully-hadronic boosted di-τ topologies against background QCD jets, using calorimeter and tracking information. Boosted di-τ topologies consisting of a pair of highly collimated τ-leptons, arise from the decay of a highly energetic Standard Model Higgs or Z boson or from particles beyond the Standard Model. We compare the tagging performance for different neural-network models and a boosted decision tree, the latter serving as a simple benchmark machine learning model. The code used to obtain the results presented in this paper is available on GitHub.

Opinion: Differentiating Natural Threats and Hazards for Water and Wastewater Structures and Operations - Energetic Threats and Hazards for the Water Industry

A novel approach is presented to view, discern, and to redefine dangerous threats and hazards from natural events that can impact water and wastewater systems. The intent of this approach is to minimize ambiguity while enhancing preparedness and operational awareness of water and wastewater facilities, each vital for sustainable public health. This new approach recognizes potential and kinetic energy sources to differentiate between the threats and hazards generated by natural events, such as hurricanes, tornadoes or landslides, which can impact the steady-state operations of essential water and wastewater recovery facilities, associated infrastructure, plus endanger workers and exposed personnel. To support thisrethinking, absent in current literature searches, “energetic models” for anticipating latent, partial or total disruption of water and wastewater facilities and related management operations from naturally occurring events, such as a hurricane, tornado, or landslide, are presented. The proposed “energetic models” are atypical, yet they have practical value and encourage the rethinking and reimagining of threats and hazards used by water professionals and related fields and professions. The proposed models can be applied clearly to multiple and complex natural, human-caused, technological and equally disruptive events for water enterprises, expanding to similar challenges in public health responses to disease outbreaks.

Improved prediction of site-rates from structure with averaging across homologs.

Variation in mutation rates at sites in proteins can largely be understood by the constraint that proteins must fold into stable structures. Models that calculate site-specific rates based on protein structure and a thermodynamic stability model have shown a significant but modest ability to predict empirical site-specific rates calculated from sequence. Models that use detailed atomistic models of protein energetics do not outperform simpler approaches using packing density. We demonstrate that a fundamental reason for this is that empirical site-specific rates are the result of the average effect of many different microenvironments in a phylogeny. By analyzing the results of evolutionary dynamics simulations, we show how averaging site-specific rates across many extant protein structures can lead to correct recovery of site-rate prediction. This result is also demonstrated in natural protein sequences and experimental structures. Using predicted structures, we demonstrate that atomistic models can improve upon contact density metrics in predicting site-specific rates from a structure. The results give fundamental insights into the factors governing the distribution of site-specific rates in protein families.

Fireball antinucleosynthesis

The tentative identification of approximately ten relativistic antihelium (He¯) cosmic-ray events at AMS-02 would, if confirmed, challenge our understanding of the astrophysical synthesis of heavy antinuclei. We propose a novel scenario for the enhanced production of such antinuclei that is triggered by isolated, catastrophic injections of large quantities of energetic Standard Model (SM) antiquarks in our galaxy by physics beyond the Standard Model (BSM). We demonstrate that SM antinucleosynthetic processes that occur in the resulting rapidly expanding, thermalized fireballs of SM plasma can, for a reasonable range of parameters, produce the reported tentative ∼2:1 ratio of He¯3 to He¯4 events at AMS-02, as well as their relativistic boosts. Moreover, we show that this can be achieved without violating antideuterium or antiproton flux constraints for the appropriate antihelium fluxes. A plausible BSM paradigm for the catastrophic injections is the collision of macroscopic composite dark-matter objects carrying large net antibaryon number. Such a scenario would require these objects to be cosmologically stable, but to destabilize upon collision, promptly releasing a fraction of their mass energy into SM antiparticles within a tiny volume. We show that, in principle, the injection rate needed to attain the necessary antihelium fluxes and the energetic conditions required to seed the fireballs appear possible to obtain in such a paradigm. We leave open the question of constructing a BSM particle physics model to realize this, but we suggest two concrete scenarios as promising targets for further investigation. Published by the American Physical Society 2024

First principles energetic span analysis of the activity of transition metal catalysts for N2O decomposition: The reversal of descriptor roles in the presence of NO

The utilization of NH3 combustion faces a significant hurdle in mitigating N2O emissions, a potent greenhouse gas. Current deNOx technologies struggle to effectively decompose N2O, especially under practical conditions due to inhibitory effects from exhaust stream components like O2, NOx, and H2O. This study employs first principles investigations to analyze N2O decomposition activity on precious (Ru, Rh), non-precious (Cu, Ni), and hybrid (Ru/Cu, Rh/Cu, Ru/Ni, Rh/Ni) catalysts. Many new Brønsted-Evans-Polanyi relations are established, enabling mechanistic analysis via the Energetic Span Model. The analyses reveal opportunities for enhancing catalytic activity by exploiting weak correlations between intermediates’ free energies. The model captures the inhibitory effects of surface-adsorbed NO on the N2O decomposition activity, aligning well with experimental observations and catalytic trends. The strong binding energy of adsorbed N2/N2O and O adatom is found to be a key descriptor of activity. It is found to aid the catalytic activity in the presence of NO but becomes limiting in its absence.

Re-evaluating the energy balance of the many routes of carbon flow through and from photorespiration.

Photorespiration is an essential process related to photosynthesis that is initiated following the oxygenation reaction catalyzed by rubisco, the initial enzyme of the Calvin-Benson-Bassham cycle. This reaction produces an inhibitory intermediate that is recycled back into the Calvin-Benson-Bassham cycle by photorespiration which requires the use of energy and the release of a portion of the carbon as CO2. The energy use and CO2 release of canonical photorespiration form a foundation for biochemical models used to describe and predict leaf carbon exchange and energy use (ATP and NAPDH). The ATP and NADPH demand of canonical photorespiration is thought to be different than that of the Calvin-Benson-Bassham cycle, requiring increased flexibility in the ratio of ATP and NADPH from the light reactions. Photorespiration requires many reactions across the chloroplasts, mitochondria and peroxisomes and involves many intermediates. Growing evidence indicates that these intermediates do not all stay in photorespiration as typically assumed and instead feed into other aspects of metabolism and leave as glycine, serine, and methylene-THF. Here we discuss how alternative flux through and from canonical photorespiration alters the ATP and NADPH requirements of metabolism following rubisco oxygenation using additional derivations of biochemical models of leaf photosynthesis and energetics. Using these new derivations, we determine that the ATP and NADPH demands of photorespiration are highly sensitive to alternative flux in ways that fundamentally changes how photorespiration contributes to the ratio of total ATP and NADPH demand. Specifically, alternative flows of carbon through photorespiration could reduce ATP and NADPH demand ratio to values below what is produced from linear electron transport.

Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries

The atomic structure of crystal defects such as dislocations, grain or phase boundaries, control these defects’ properties: their mobility, ability to cross-slip, or solute segregation. These crystal defects can be conveniently studied by atomistic simulations and one then needs to transfer relevant information at the upper scale to model microstructures containing a large number of defects, e.g., a polycrystal. Here, we propose an atomistic to continuum mechanics crossover method that (i) represents the atomic structure of dislocations cores by an appropriate Nye dislocation density tensor field and (ii), captures quantitatively the short and long range mechanical fields of defects. For (i), we propose a modified and improved interpolation method based on the original work by Hartley and Mishin. For (ii), we use a field dislocation mechanics framework that rigorously calculates/evaluates the mechanical fields associated with any Nye dislocation density distribution. The transfer method relies on molecular static calculations using two energetic models — ab-initio for screw dislocation core simulations in tungsten, and EAM potential for low and large angle grain boundaries in copper. Our findings demonstrate the effectiveness of the proposed approach in reconstructing the Burgers vector, and continuous strain and rotation fields. The framework is further applied to analyze the elastic interactions between extrinsic edge dislocations and a low angle grain boundary in copper.

Enhanced response of thermospheric cooling emission to negative pressure pulse

Nitric oxide (NO) emission via 5.3 µm wavelength plays dominant role in regulating the thermospheric temperature due to thermostat nature. The response of NO 5.3 mm emission to the negative pressure impulse during November 06–09, 2010 is studied by using Sounding of Atmosphere by Broadband Emission Radiometry (SABER) observations onboard the Thermosphere Ionosphere Mesosphere Energetics and Dynamics (TIMED) satellite and model simulations. The TIMED/SABER satellite observations demonstrate a significant enhancement in the high latitude region. The Open Geospace General Circulation Model (OpenGGCM), Weimer model simulations and Active Magnetosphere and Planetary Electrodynamics Response Experiment measurements exhibit intensification and equatorward expansion of the field-aligned-currents (FACs) post-negative pressure impulse period due to the expansion of the dayside magnetosphere. The enhanced FACs drive precipitation of low energy particle flux and Joule heating rate affecting whole magnetosphere–ionosphere–thermosphere system. Our study based on electric fields and conductivity derived from the EISCAT Tromsø\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$${\\o }$$\\end{document} radar and TIEGCM simulation suggests that the enhanced Joule heating rate and the particle precipitations prompt the increase in NO cooling emission.

High-pressure liquid refrigerant injection for reciprocating compressors

Isentropic (adiabatic) compression of superheated vapor in vapor compression refrigeration cycles usually results in some discharge superheat, i.e. the discharge temperature exceeding the condensing temperature. Large discharge superheat reduces both operating range and compression efficiency. Sub-isentropic compression with heat rejection to the heat sink is therefore superior to adiabatic compression, as it results in lower discharge superheat and improved efficiency. However, significant temperature reduction by heat transfer through the working chamber walls is difficult to facilitate in common refrigeration compressors, particularly reciprocating compressors. Refrigerant and oil injection is a well-established method for reducing temperatures and increasing efficiency in screw and scroll compressors, as well as multi-stage systems. In comparison, effective methods for temperature reduction in single-stage reciprocating compressors are fairly limited. Therefore, a concept for high-pressure liquid injection is proposed. By means of a pump and injection valve, high-pressure liquid refrigerant is injected into the working chamber and atomized. The compressed gas is cooled through the evaporation of the injected liquid. The injection valve allows for control over the injection timing and quantity, enabling adjustment of the temperature profile, which is a major distinction from existing refrigerant injection methods. The coupled compression-injection process is evaluated for various refrigerants using an energetic chamber model. The injection is found to be particularly suitable for refrigerants with a large evaporation heat and a shallow dew line slope. For the example of ammonia, a theoretical reduction in compression work of 8.9% at an evaporation temperature of −10 °C and a condensing temperature of 45 °C is found.

Restructuring of soil food webs reduces carbon storage potential in boreal peatlands

Microbial and faunal decomposers regulate the flux of carbon and nitrogen belowground, thus controlling the storage/release of carbon and nitrogen in soil systems. Warming is anticipated to alter decomposer biomass, and accelerate organismal metabolism and soil carbon release. We parameterized six soil food webs using empirical data for 18 trophic nodes at two boreal peatland sites under three climate scenarios (control, +2 °C, +4 °C), and model carbon and nitrogen flux, loss and retention using an energetic ecostoichiometric food web model. Differences in microbial biomass between sites dictated flux under warming. The community biomass of the fungal-dominated site was more impacted by warming, but fluxes were more responsive to warming at the bacterial-dominated site. Decreased metabolic efficiency of the soil food web at both sites in response to warming led to greater per capita carbon losses, indicating the long-term carbon storage potential of both systems is diminished.