Results 71 to 80 of about 508,394 (292)

Continuous Time Markov Chain Models for Chemical Reaction Networks [PDF]

, 2011
A reaction network is a chemical system involving multiple reactions and chemical species. The simplest stochastic models of such networks treat the system as a continuous time Markov chain with the state being the number of molecules of each species and with reactions modeled as possible transitions of the chain.
David F. Anderson, Thomas G. Kurtz
openaire   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Generalization Capability of Convolutional Neural Networks for Progress Variable Variance and Reaction Rate Subgrid-Scale Modeling

Energies, 2021
Deep learning has recently emerged as a successful approach to produce accurate subgrid-scale (SGS) models for Large Eddy Simulations (LES) in combustion.
Victor Xing, Corentin Lapeyre, Thomas Jaravel, Thierry Poinsot   +3 more
doaj   +1 more source

Mechanism Deduction from Noisy Chemical Reaction Networks

, 2018
We introduce KiNetX, a fully automated meta-algorithm for the kinetic analysis of complex chemical reaction networks derived from semi-accurate but efficient electronic structure calculations. It is designed to (i) accelerate the automated exploration of
Proppe, Jonny, Reiher, Markus
core   +1 more source

Thermodynamic circuits: Modeling chemical reaction networks with nonequilibrium conductance matrices

Physical Review E
11 pages, 2 figures, last paper of the ...
Paul Raux, Christophe Goupil, Gatien Verley   +2 more
openaire   +2 more sources

Multiple equilibria in complex chemical reaction networks: extensions to entrapped species models [PDF]

IEE Proceedings - Systems Biology, 2006
In two earlier papers, means were provided to decide the capacity of complex chemical reaction networks, taken with mass-action kinetics, to admit multiple equilibria in the context of the isothermal homogeneous continuous flow stirred tank reactor (CFSTR).
G, Craciun, M, Feinberg
openaire   +2 more sources

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Neural-network Chemical Emulator for First-star Formation: Robust Iterative Predictions Over a Wide Density Range

The Astrophysical Journal
We present a neural-network emulator for the thermal and chemical evolution in Population III star formation. The emulator accurately reproduces the thermochemical evolution over a wide density range spanning 21 orders of magnitude (10 ^−3 –10 ^18 cm ^−3
Sojun Ono, Kazuyuki Sugimura
doaj   +1 more source

Asymptotology of Chemical Reaction Networks [PDF]

, 2009
The concept of the limiting step is extended to the asymptotology of multiscale reaction networks. Complete theory for linear networks with well separated reaction rate constants is developed.
A.N. Gorban, A.Y. Zinovyev, Andrianov, Antoulas, Aris, Balian, Bodenstein, Boyd, Brown, Bykov, Christiansen, Condon, Cornish-Bowden, Coxson, Djouad, Dobrushin, Dokoumetzidis, Farkas, Feinberg, Feng, Gibbs, Golub, Gorban, Gorban, Gorban, Gorban, Gorban, Gorban, Gorban, Greuel, Gugercin, Hangos, Hangos, Helfferich, Hutchinson, Jaynes, Johnston, Kazantzis, Klonowski, Kruskal, Kuo, Lall, Lam, Lam, Li, Liao, Lidskii, Lin, Maas, Marcus, Maria, Meyn, Meyn, Northrop, Northrop, O. Radulescu, Pepiot-Desjardins, Prigogine, Procaccia, Radulescu, Ray, Roussel, Segel, Semenov, Seneta, Stueckelberg, Temkin, Toth, Turanyi, Van Mieghem, Varga, Vishik, Vora, Wei, Wei, White, Whitehouse, Yablonskii, Yablonsky, Yablonsky, Zagaris, Zavala   +81 more
core   +4 more sources

Valosin‐containing protein counteracts ATP‐driven dissolution of FUS condensates through its ATPase activity in vitro

FEBS Letters, EarlyView.
Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura, Shin‐ichi Tate, Kyota Yasuda   +2 more
wiley   +1 more source