Results 41 to 50 of about 777,399 (277)

Heuristics-Guided Exploration of Reaction Mechanisms

open access: yes, 2015
For the investigation of chemical reaction networks, the efficient and accurate determination of all relevant intermediates and elementary reactions is mandatory.
Bergeler, Maike   +3 more
core   +3 more sources

Uncertainty quantified discovery of chemical reaction systems via Bayesian scientific machine learning

open access: yesFrontiers in Systems Biology
The recently proposed Chemical Reaction Neural Network (CRNN) discovers chemical reaction pathways from time resolved species concentration data in a deterministic manner. Since the weights and biases of a CRNN are physically interpretable, the CRNN acts
Emily Nieves   +3 more
doaj   +1 more source

A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis

open access: yesNature Communications, 2021
Predictive computational approaches are fundamental to accelerating solid-state inorganic synthesis. This work demonstrates a computational tractable approach constructed from available thermochemistry data and based on a graph-based network model for ...
Matthew J. McDermott   +2 more
doaj   +1 more source

Neutral theory of chemical reaction networks

open access: yes, 2012
To what extent do the characteristic features of a chemical reaction network reflect its purpose and function? In general, one argues that correlations between specific features and specific functions are key to understanding a complex structure. However,
Baek S K   +11 more
core   +1 more source

The hierarchical organization of autocatalytic reaction networks and its relevance to the origin of life.

open access: yesPLoS Computational Biology, 2022
Prior work on abiogenesis, the emergence of life from non-life, suggests that it requires chemical reaction networks that contain self-amplifying motifs, namely, autocatalytic cores.
Zhen Peng, Jeff Linderoth, David A Baum
doaj   +1 more source

Exploiting network topology for large-scale inference of nonlinear reaction models

open access: yes, 2019
The development of chemical reaction models aids understanding and prediction in areas ranging from biology to electrochemistry and combustion. A systematic approach to building reaction network models uses observational data not only to estimate unknown
Galagali, Nikhil, Marzouk, Youssef M.
core   +2 more sources

Concordant chemical reaction networks and the Species-Reaction Graph [PDF]

open access: yesMathematical Biosciences, 2013
In a recent paper it was shown that, for chemical reaction networks possessing a subtle structural property called concordance, dynamical behavior of a very circumscribed (and largely stable) kind is enforced, so long as the kinetics lies within the very broad and natural weakly monotonic class.
Shinar, Guy, Feinberg, Martin
openaire   +3 more sources

Detecting intrinsic slow variables in stochastic dynamical systems by anisotropic diffusion maps [PDF]

open access: yes, 2009
Nonlinear independent component analysis is combined with diffusion-map data analysis techniques to detect good observables in high-dimensional dynamic data.
A. Singer   +8 more
core   +3 more sources

An upstream open reading frame regulates expression of the mitochondrial protein Slm35 and mitophagy flux

open access: yesFEBS Letters, EarlyView.
This study reveals how the mitochondrial protein Slm35 is regulated in Saccharomyces cerevisiae. The authors identify stress‐responsive DNA elements and two upstream open reading frames (uORFs) in the 5′ untranslated region of SLM35. One uORF restricts translation, and its mutation increases Slm35 protein levels and mitophagy.
Hernán Romo‐Casanueva   +5 more
wiley   +1 more source

Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions

open access: yesFEBS Letters, EarlyView.
We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva   +10 more
wiley   +1 more source

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