Results 51 to 60 of about 254,055 (254)
Chemical Engineering Journal Advances, 2022 Modeling complex chemical reaction networks has inspired a considerable body of research and a variety of approaches to modeling nonlinear pathways are being developed.
Sarang S. Nath, John Villadsen
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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 +5 more
wiley +1 more source
Clustering under the line graph transformation: application to reaction network
BMC Bioinformatics, 2004 Background Many real networks can be understood as two complementary networks with two kind of nodes. This is the case of metabolic networks where the first network has chemical compounds as nodes and the second one has nodes as reactions.
Kanehisa Minoru +4 more
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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
Delay Line as a Chemical Reaction Network [PDF]
Parallel Processing Letters, 2015 Chemistry as an unconventional computing medium presently lacks a systematic approach to gather, store, and sort data over time. To build more complicated systems in chemistries, the ability to look at data in the past would be a valuable tool to perform complex calculations.
Josh Moles +2 more
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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 +2 more
wiley +1 more source
Improving Chemical Reaction Prediction with Unlabeled Data
Molecules, 2022 Predicting products of organic chemical reactions is useful in chemical sciences, especially when one or more reactants are new organics. However, the performance of traditional learning models heavily relies on high-quality labeled data.
Yu Xie +4 more
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Defining Autocatalysis in Chemical Reaction Networks
CoRR, 2020 Autocatalysis is a deceptively simple concept, referring to the situation that a chemical species $X$ catalyzes its own formation. From the perspective of chemical kinetics, autocatalysts show a regime of super-linear growth. Given a chemical reaction network, however, it is not at all straightforward to identify species that are autocatalytic in the ...
Andersen, Jakob L. +3 more
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Linear conjugacy of chemical reaction networks [PDF]
Journal of Mathematical Chemistry, 2011 26 ...
Johnston, Matthew D., Siegel, David
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Differentiable Programming of Chemical Reaction Networks
CoRR, 2023 We present a differentiable formulation of abstract chemical reaction networks (CRNs) that can be trained to solve a variety of computational tasks. Chemical reaction networks are one of the most fundamental computational substrates used by nature.
Alexander Mordvintsev +2 more
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