Pattern-oriented Agent-based Monte Carlo simulation of Cellular Redox Environment
Notice bibliographique
Résumé
Research suggests that cellular redox environment could affect the phenotype and function of cells through a complex reaction network[1]. In cells, redox status is mainly regulated by several redox couples, such as Glutathione/glutathione disulfide (GSH/GSSG), Cysteine/ Cystine (CYS/CYSS) and mitochondrial redox couples. Evidence suggests that both intracellular and extracellular redox can affect overall cell redox state. How redox is communicated between extracellular and intracellular environments is still a matter of debate. Some researchers conclude based on experimental data, that there is a connection between extracellular and intracellular redox [2], whereas others oppose this view [3]. In general however, these experiments lack insight into the dynamics, complex network of reactions and transportation through cell membrane of redox. Therefore, current experimental results reveal but a snapshot, or average of true dynamics. What is more, it can be more complex if the dynamics of redox in different intracellular compartments is included [4]. Furthermore, heterogeneous spatial and temporal distribution of reactants and enzymes, diffusion rate and import direction of chemical source [5] could be very important factors. In our project, an agent-based Monte Carlo modeling [6] is offered to study the dynamic relationship between extracellular and intracellular redox and complex networks of redox reactions. In the model, pivotal redox-related reactions will be included, and the reactants will be the agents [7]. Additionally, the spatial distribution of enzymes and reactants, and diffusion of reactants will be considered as a contributing factor. To initially simplify the modeling, the redox change of intracellular compartments will be ignored or only the export and import of redox will be modeled. Because complex networks and dynamics of redox still is not completely understood , results of existing experiments will be used to validate the modeling according to ideas in pattern-oriented agent-based modeling[8]. The simulation of this model is computational intensive, thus an application 'FLAME' that can be run in parallel with MPI on computer cluster, will be used to implement modeling [9]. In the future, studies will be performed simulating how cellular redox state could affect phenotype of a population of cells, and hereby the tissue and organ if dynamics between intracellular and extracellular redox is well understand. Reference: 1. Moriarty-Craige, S.E. and D.P. Jones, Extracellular thiols and thiol/disulfide redox in metabolism. Annu Rev Nutr, 2004. 24: p. 481-509. 2. Banerjee, R., Redox outside the box: linking extracellular redox remodeling with intracellular redox metabolism. J Biol Chem, 2012. 287(7): p. 4397-402. 3. Anderson, C.L., et al., Control of extracellular cysteine/cystine redox state by HT-29 cells is independent of cellular glutathione. Am J Physiol Regul Integr Comp Physiol, 2007. 293(3): p. R1069-75. 4. Go, Y.M. and D.P. Jones, Redox compartmentalization in eukaryotic cells. Biochimica Et Biophysica Acta-General Subjects, 2008. 1780(11): p. 1271-1290. 5. Jones, D.P., Redox sensing: orthogonal control in cell cycle and apoptosis signalling. J Intern Med, 2010. 268(5): p. 432-48. 6. Pogson, M., et al., Formal agent-based modelling of intracellular chemical interactions. Biosystems, 2006. 85(1): p. 37-45. 7. Stern, J.R., et al., Integration of TGF-beta- and EGFR-based signaling pathways using an agent-based model of epithelial restitution. Wound Repair Regen, 2012. 20(6): p. 862-71. 8. Grimm, V., et al., Pattern-oriented modeling of agent-based complex systems: lessons from ecology. Science, 2005. 310(5750): p. 987-91. 9. Kiran, M., et al., FLAME: simulating large populations of agents on parallel hardware architectures, in Proceedings of the 9th International Conference on Autonomous Agents and Multiagent Systems: volume 1 - Volume 12010, International Foundation for Autonomous Agents and Multiagent Systems: Toronto, Canada. p. 1633-1636.
Récupéré en direct depuis OpenAlex et désinversé. Les résumés ne sont pas conservés dans cette base de données : les index inversés représentent 8,6 Go des 9,3 Go de texte de la base, et le serveur dispose de 13 Go libres.
Comment cette classification a été obtenuedéplier
Prédiction machine sur la base complète
Imitation des enseignantsNi prévalence calibrée, ni vérité terrain. Validation humaine à venir. Le volet Gemma est une étiquette directe du modèle pour chaque travail de la base, lue sur la notice réduite au titre. Le volet Codex est un classifieur appris des 10 348 étiquettes directes de Codex et calibré sur les taux pondérés de l'échantillon; les champs sans appui suffisant ne portent aucun appel Codex. Le mode candidate est l'union des deux volets; le consensus est leur intersection. Ces sorties portent le statut machine_predicted_unvalidated et ne sont pas des étiquettes humaines.
Scores du classifieur distillé par catégorie (deux têtes)
| Catégorie | Codex | Gemma |
|---|---|---|
| Métarecherche | 0,000 | 0,001 |
| Méta-épidémiologie (sens strict) | 0,001 | 0,000 |
| Méta-épidémiologie (sens large) | 0,001 | 0,001 |
| Bibliométrie | 0,000 | 0,001 |
| Études des sciences et des technologies | 0,001 | 0,001 |
| Communication savante | 0,001 | 0,001 |
| Science ouverte | 0,001 | 0,001 |
| Intégrité de la recherche | 0,002 | 0,001 |
| Charge utile insuffisante (le modèle a refusé de juger) | 0,003 | 0,000 |
Scores machine (provisoires)
Les deux têtes enseignantes du modèle étudiant, lues sur ce travail. Un score ordonne la base pour la relecture; il n'affirme jamais une catégorie, et le statut de validation accompagne chaque rangée tel quel.
Scores de référence d'un modèle non mature (critères de maturité non atteints, 7 itérations). Un score ordonne; il n'affirme jamais une catégorie.
score_only:v0-immature-baseline · tel quel depuis la passe de notation : score_only signifie que le nombre peut ordonner les travaux, et qu'aucune étiquette de catégorie n'en découleClassification
machine, non validéePrédiction automatique; un appel candidat d’une seule source (Gemma direct ou Codex distillé), pas un consensus.
Le détail, modèle par modèle et score par score, se trouve en fin de page sous « Comment cette classification a été obtenue ».