Results 61 to 70 of about 508,394 (292)

Disentangling CO Chemistry in a Protoplanetary Disk Using Explanatory Machine-learning Techniques

The Astrophysical Journal
Molecular abundances in protoplanetary disks are highly sensitive to the local physical conditions, including gas temperature, gas density, radiation field, and dust properties.
Amina Diop, L. Ilsedore Cleeves, Dana E. Anderson, Jamila Pegues, Adele Plunkett   +4 more
doaj   +1 more source

Mass conserved elementary kinetics is sufficient for the existence of a non-equilibrium steady state concentration [PDF]

, 2012
Living systems are forced away from thermodynamic equilibrium by exchange of mass and energy with their environment. In order to model a biochemical reaction network in a non-equilibrium state one requires a mathematical formulation to mimic this forcing.
Fleming, Ronan M. T., Thiele, Ines
core   +2 more sources

Organ‐specific redox imbalances in spinal muscular atrophy mice are partially rescued by SMN antisense oligonucleotides

FEBS Letters, EarlyView.
We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley   +1 more source

Investigations of Ultraviolet Spectral Approximations for Computing Photodissociation and Photoionization Reaction Rates

The Astronomical Journal
The chemical composition of protoplanetary disks, especially in the molecular layer and above, is set by photoprocesses driven by stellar radiation fields.
Jamila Pegues, L. Ilsedore Cleeves, Karin Öberg, Edwin A. Bergin, Ewine F. van Dishoeck, Valentine Wakelam   +5 more
doaj   +1 more source

Hybrid Chemical and Data-Driven Model for Stiff Chemical Kinetics Using a Physics-Informed Neural Network

Engineering Proceedings
Models of chemical kinetic processes, comprising systems of stiff ordinary differential equations (ODEs), are essential for modeling important chemical reactions relevant to drinking water chemistry, such as disinfectant decay and disinfection byproduct ...
Matthew Frankel, Mario De Florio, Enrico Schiassi, Lina Sela   +3 more
doaj   +1 more source

Moment fitting for parameter inference in repeatedly and partially observed stochastic biological models.

PLoS ONE, 2012
The inference of reaction rate parameters in biochemical network models from time series concentration data is a central task in computational systems biology.
Philipp Kügler
doaj   +1 more source

Elasticity sampling links thermodynamics to metabolic control [PDF]

, 2013
Metabolic networks can be turned into kinetic models in a predefined steady state by sampling the reaction elasticities in this state. Elasticities for many reversible rate laws can be computed from the reaction Gibbs free energies, which are determined ...
Liebermeister, Wolfram
core   +2 more sources

Parameter estimation for models of chemical reaction networks from experimental data of reaction rates

International Journal of Control, 2021
For the purpose of precise mathematical modelling of chemical reaction networks, useful techniques for estimating their parameters from experimental data are necessary. In this manuscript, we propose a new parameter estimation method for enzymatic chemical reaction networks from time-series experimental data of reaction rates. The main idea is based on
Manvel Gasparyan, Arnout Van Messem, Shodhan Rao   +2 more
openaire   +2 more sources

The planar cell polarity protein Vangl2 interacts with the PDZ‐domains of Scribble but not with a unique PDZ‐like domain in Inturned

FEBS Letters, EarlyView.
Structural and biochemical characterisations show that the planar cell polarity (PCP) protein Inturned harbours a unique PDZ‐like domain that does not bind canonical PDZ‐binding motifs (PBMs) like that of another PCP protein Vangl2. In contrast, the apical‐basal polarity protein Scribble contains four PDZ domains that bind Vangl2, but one PDZ domain ...
Stephan Wilmes, Jan Brysch, Carmen Gelze, Lilli Meier, Daniel Kümmel   +4 more
wiley   +1 more source

FRECKLL: Full and Reduced Exoplanet Chemical Kinetics DistiLLed

The Astrophysical Journal
We introduce a new Python 1D chemical kinetic code, Full and Reduced Exoplanet Chemical Kinetics distiLLed ( FRECKLL ), to evolve large chemical networks efficiently.
Ahmed Faris Al-Refaie, Olivia Venot, Quentin Changeat, Billy Edwards   +3 more
doaj   +1 more source