scholarly journals Computational Modeling of Coupled Energetics and Mechanics in the Rat Ventricular Myocardium

2020 ◽  
Author(s):  
Bahador Marzban ◽  
Rachel Lopez ◽  
Daniel A. Beard
Keyword(s):  
Atp Hydrolysis ◽  
Atp Synthesis ◽  
Ventricular Myocardium ◽  
Scale Model ◽  
Multi Scale ◽  
Cardiac Decompensation ◽  
Model Predictions ◽  
Myocardial Energetics ◽  
Hydrolysis Of ◽  
Analyze Data

This paper details a multi-scale model computational model of myocardial energetics---oxidative ATP synthesis, ATP hydrolysis, and phosphate metabolite kinetics---and myocardial mechanics used to analyze data from a rat model of cardiac decompensation and failure. Combined, these two models simulate cardiac mechano-energetics: the coupling between metabolic production of ATP and hydrolysis of ATP to generate mechanical work. The model is used to predict how differences in energetic metabolic state found in failing versus control hearts causally contribute to systolic mechanical dysfunction in heart failure. This Physiome paper describes how to access, run, and manipulate these computer models, how to parameterize the models to match data, and how to compare model predictions to data.

scholarly journals Computational Modeling of Coupled Energetics and Mechanics in the Rat Ventricular Myocardium

2020 ◽  
Author(s):  
Bahador Marzban ◽  
Rachel Lopez ◽  
Daniel A. Beard
Keyword(s):  
Atp Hydrolysis ◽  
Atp Synthesis ◽  
Ventricular Myocardium ◽  
Scale Model ◽  
Multi Scale ◽  
Cardiac Decompensation ◽  
Model Predictions ◽  
Myocardial Energetics ◽  
Hydrolysis Of ◽  
Analyze Data

This paper details a multi-scale model computational model of myocardial energetics---oxidative ATP synthesis, ATP hydrolysis, and phosphate metabolite kinetics---and myocardial mechanics used to analyze data from a rat model of cardiac decompensation and failure. Combined, these two models simulate cardiac mechano-energetics: the coupling between metabolic production of ATP and hydrolysis of ATP to generate mechanical work. The model is used to predict how differences in energetic metabolic state found in failing versus control hearts causally contribute to systolic mechanical dysfunction in heart failure. This Physiome paper describes how to access, run, and manipulate these computer models, how to parameterize the models to match data, and how to compare model predictions to data.

Effects of parametric uncertainty on multi-scale model predictions of shock response of a pressed energetic material

2019 ◽  
Vol 125 (23) ◽  
pp. 235104 ◽  
Author(s):  
Sangyup Lee ◽  
Oishik Sen ◽  
Nirmal Kumar Rai ◽  
Nicholas J. Gaul ◽  
K. K. Choi ◽  
...  
Keyword(s):  
Energetic Material ◽  
Parametric Uncertainty ◽  
Scale Model ◽  
Multi Scale ◽  
Model Predictions ◽  
Shock Response

scholarly journals Targeting Mycobacterial F-ATP Synthase C-Terminal α Subunit Interaction Motif on Rotary Subunit γ

Antibiotics ◽  
2021 ◽  
Vol 10 (12) ◽  
pp. 1456
Author(s):  
Amaravadhi Harikishore ◽  
Chui-Fann Wong ◽  
Priya Ragunathan ◽  
Dennis Litty ◽  
Volker Müller ◽  
...  
Keyword(s):  
Atp Synthase ◽  
Atp Hydrolysis ◽  
Atp Synthesis ◽  
Membrane Vesicles ◽  
Α Subunit ◽  
Rotational States ◽  
C Terminus ◽  
Inverted Membrane Vesicles ◽  
Hydrolysis Of ◽  
Micromolar Range

Mycobacteria regulate their energy (ATP) levels to sustain their survival even in stringent living conditions. Recent studies have shown that mycobacteria not only slow down their respiratory rate but also block ATP hydrolysis of the F-ATP synthase (α3:β3:γ:δ:ε:a:b:b’:c9) to maintain ATP homeostasis in situations not amenable for growth. The mycobacteria-specific α C-terminus (α533-545) has unraveled to be the major regulative of latent ATP hydrolysis. Its deletion stimulates ATPase activity while reducing ATP synthesis. In one of the six rotational states of F-ATP synthase, α533-545 has been visualized to dock deep into subunit γ, thereby blocking rotation of γ within the engine. The functional role(s) of this C-terminus in the other rotational states are not clarified yet and are being still pursued in structural studies. Based on the interaction pattern of the docked α533-545 region with subunit γ, we attempted to study the druggability of the α533-545 motif. In this direction, our computational work has led to the development of an eight-featured α533-545 peptide pharmacophore, followed by database screening, molecular docking, and pose selection, resulting in eleven hit molecules. ATP synthesis inhibition assays using recombinant ATP synthase as well as mycobacterial inverted membrane vesicles show that one of the hits, AlMF1, inhibited the mycobacterial F-ATP synthase in a micromolar range. The successful targeting of the α533-545-γ interaction motif demonstrates the potential to develop inhibitors targeting the α site to interrupt rotary coupling with ATP synthesis.

Synthesis and hydrolysis of ATP by the mitochondrial ATP synthase

1988 ◽  
Vol 66 (7) ◽  
pp. 677-682 ◽  
Author(s):  
M. Tuena de Gômez-Puyou ◽  
Orlando B. Martins ◽  
A. Gômez-Puyou
Keyword(s):  
Atp Synthase ◽  
Atp Hydrolysis ◽  
Atp Synthesis ◽  
Control Synthesis ◽  
Inhibitor Protein ◽  
Atpase Inhibitor ◽  
Mitochondrial Atp Synthase ◽  
High Concentrations ◽  
Hydrolysis Of

A brief summary of the factors that control synthesis and hydrolysis of ATP by the mitochondrial H+-ATP synthase is made. Particular emphasis is placed on the role of the natural ATPase inhibitor protein. It is clear from the existing data obtained with a number of agents that there is no correlation between variations of the rate of ATP hydrolysis and ATP synthesis as driven by respiration. The mechanism by which each condition differentially affects the two activities is not entirely known. For the case of the natural ATPase inhibitor protein, it appears that the protein controls the kinetics of the enzyme. This control seems essential for achieving maximal accumulation of ATP during electron transport in systems that contain relatively high concentrations of ATP.

Open-system kinetics of myocardial phosphoenergetics during coronary underperfusion

1997 ◽  
Vol 272 (6) ◽  
pp. H2563-H2576 ◽  
Author(s):  
K. Kroll ◽  
D. J. Kinzie ◽  
L. A. Gustafson
Keyword(s):  
Open System ◽  
Atp Hydrolysis ◽  
Gradual Increase ◽  
Atp Synthesis ◽  
Rapid Decrease ◽  
Mass Action ◽  
Resonance Spectroscopy ◽  
Kinetics Of ◽  
Hydrolysis Of ◽  
Open Nature

A novel hypothesis is proposed and tested describing open-system kinetics for myocardial phosphoenergetics. The hypothesis is that during severe coronary underperfusion there is precise matching of the rates of ATP synthesis and hydrolysis, but despite the precise balance of ATP rates, there is a decrease in the concentration of ATP and an increase in the concentration of phosphocreatine (PCr) caused by the hydrolysis of AMP to adenosine. Isolated rabbit hearts were perfused using a crystalloid medium, and coronary flow was reduced by 95% from baseline for 45 min followed by reperfusion. Phosphorus nuclear magnetic resonance spectroscopy showed a rapid decrease in PCr concentration to 25% of baseline at the onset of underperfusion followed by a gradual increase in PCr to 42% of baseline, while ATP decreased continuously to 65% of baseline. The kinetics of PCr and ATP could only be described by the precise matching of the rates of ATP synthesis and ATP hydrolysis and an open adenylate system that included the decrease in cytosolic AMP concentration via the production and efflux of adenosine. To confirm the hypothesis of open-system kinetics, two independent predictions were tested in separate experiments: 1) total coronary venous purine efflux (adenosine+inosine+hypoxanthine) during underperfusion was equal to the decrease in ATP concentration, and 2) there was no increase in PCr during moderate coronary underperfusion (80% flow reduction). In conclusion, the open nature of the myocardial adenylate system causes mass action effects that exert novel control over PCr and ATP concentrations during coronary underperfusion. The open-system kinetics cause ATP to decrease and PCr to increase, even though there is precise matching of the rates of ATP synthesis and hydrolysis. Finally, the hydrolysis of AMP to adenosine may benefit tissue survival during ischemia by improving the free energy of ATP hydrolysis, thereby delaying or preventing calcium overload.

Three-dimensional Reconstruction of Microscopic Image Based on Multi-ST Algorithm

2020 ◽  
Vol 64 (2) ◽  
pp. 20506-1-20506-7
Author(s):  
Min Zhu ◽  
Rongfu Zhang ◽  
Pei Ma ◽  
Xuedian Zhang ◽  
Qi Guo
Keyword(s):  
3D Reconstruction ◽  
Three Dimensional ◽  
Scale Model ◽  
Microscopic Image ◽  
Multi Scale ◽  
Gaussian Pyramid ◽  
Cost Aggregation ◽  
Dimensional Reconstruction ◽  
Image Pairs ◽  
Accurate Matching

Abstract Three-dimensional (3D) reconstruction is extensively used in microscopic applications. Reducing excessive error points and achieving accurate matching of weak texture regions have been the classical challenges for 3D microscopic vision. A Multi-ST algorithm was proposed to improve matching accuracy. The process is performed in two main stages: scaled microscopic images and regularized cost aggregation. First, microscopic image pairs with different scales were extracted according to the Gaussian pyramid criterion. Second, a novel cost aggregation approach based on the regularized multi-scale model was implemented into all scales to obtain the final cost. To evaluate the performances of the proposed Multi-ST algorithm and compare different algorithms, seven groups of images from the Middlebury dataset and four groups of experimental images obtained by a binocular microscopic system were analyzed. Disparity maps and reconstruction maps generated by the proposed approach contained more information and fewer outliers or artifacts. Furthermore, 3D reconstruction of the plug gauges using the Multi-ST algorithm showed that the error was less than 0.025 mm.

scholarly journals The Winter Habitat Selection of Red Deer (Cervus elaphus) Based on a Multi-Scale Model

Animals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 2454
Author(s):  
Yue Sun ◽  
Yanze Yu ◽  
Jinhao Guo ◽  
Minghai Zhang
Keyword(s):  
Habitat Selection ◽  
Environmental Factors ◽  
Cervus Elaphus ◽  
Red Deer ◽  
Scale Model ◽  
Winter Habitat ◽  
Multi Scale ◽  
Optimal Scale ◽  
Scale Models ◽  
Selection Of

Single-scale frameworks are often used to analyze the habitat selections of species. Research on habitat selection can be significantly improved using multi-scale models that enable greater in-depth analyses of the scale dependence between species and specific environmental factors. In this study, the winter habitat selection of red deer in the Gogostaihanwula Nature Reserve, Inner Mongolia, was studied using a multi-scale model. Each selected covariate was included in multi-scale models at their “characteristic scale”, and we used an all subsets approach and model selection framework to assess habitat selection. The results showed that: (1) Univariate logistic regression analysis showed that the response scale of red deer to environmental factors was different among different covariate. The optimal scale of the single covariate was 800–3200 m, slope (SLP), altitude (ELE), and ratio of deciduous broad-leaved forests were 800 m in large scale, except that the farmland ratio was 200 m in fine scale. The optimal scale of road density and grassland ratio is both 1600 m, and the optimal scale of net forest production capacity is 3200 m; (2) distance to forest edges, distance to cement roads, distance to villages, altitude, distance to all road, and slope of the region were the most important factors affecting winter habitat selection. The outcomes of this study indicate that future studies on the effectiveness of habitat selections will benefit from multi-scale models. In addition to increasing interpretive and predictive capabilities, multi-scale habitat selection models enhance our understanding of how species respond to their environments and contribute to the formulation of effective conservation and management strategies for ungulata.

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