For dynamical systems arising from chemical reaction networks, persistence is the property that each species concentration remains positively bounded away from zero, as long as species concentrations were all positive in the beginning. We describe two graphical procedures for simplifying reaction networks without breaking known necessary or sufficient conditions for persistence, by iteratively removing so-called intermediates and catalysts from the network. The procedures are easy to apply and, in many cases, lead to highly simplified network structures, such as monomolecular networks. For specific classes of reaction networks, we show that these conditions for persistence are equivalent to one another. Furthermore, they can also be characterized by easily checkable strong connectivity properties of a related graph. In particular, this is the case for (conservative) monomolecular networks, as well as cascades of a large class of post-translational modification systems (of which the MAPK cascade and the n-site futile cycle are prominent examples). Since one of the aforementioned sufficient conditions for persistence precludes the existence of boundary steady states, our method also provides a graphical tool to check for that.
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http://dx.doi.org/10.1007/s00285-016-1046-9 | DOI Listing |
Pharmaceutics
January 2025
University of Belgrade, Faculty of Technology and Metallurgy, Karnegijeva 4, 11000 Belgrade, Serbia.
To develop and evaluate graphene oxide/gelatin/alginate scaffolds for advanced wound therapy capable of mimicking the native extracellular matrix (ECM) and bio-stimulating all specific phases of the wound healing process, from inflammation and proliferation to the remodeling of damaged skin tissue in three dimensions. The scaffolds were engineered as interpenetrating polymeric networks by the crosslinking reaction of gelatin in the presence of alginate and characterized by structural, morphological, mechanical, swelling properties, porosity, adhesion to the skin tissue, wettability, and in vitro simultaneous release of the active agents. Biocompatibility of the scaffolds were evaluated in vitro by MTT test on fibroblasts (MRC5 cells) and in vivo using assay.
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January 2025
GSK Carbon Neutral Laboratories for Sustainable Chemistry, Jubilee Campus, University of Nottingham, Triumph Road, Nottingham NG7 2TU, UK.
The range of chemical databases available has dramatically increased in recent years, but the reliability and quality of their data are often negatively affected by human-error fidelity. The size of chemical databases can make manual data curation/checking of such sets time consuming; thus, automated tools to help this process are highly desirable. Herein, we propose the use of Graph Neural Networks (GNNs) to identifying potential stereochemical misassignments in the primary asymmetric catalysis literature.
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January 2025
Department of Chemistry and Biochemistry, University of North Florida, Jacksonville, FL 32224, USA.
The formation of water structures can provide significant benefits in organic reactions, stabilizing charge and lowering activation energies. Hydrolysis reactions will frequently rely on water networks to accomplish these goals. Here, we used computational chemistry and experimental kinetics to investigate a model thioester molecule S-ethyl trifluorothioacetate, and extended work on a previously characterized ester p-nitrophenyl trifluoroacetate.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Faculty of Materials Science and Ceramics, AGH University of Krakow, 30-059 Krakow, Poland.
This paper presents a comprehensive study of two tool materials designed for the machining of Inconel 718 superalloy, produced through two distinct sintering techniques: High Pressure-High Temperature (HPHT) sintering and Spark Plasma Sintering (SPS). The first composite (marked as BNT), composed of 65 vol% cubic boron nitride (cBN), was sintered from the cBN-TiN-TiSiC system using the HPHT technique at a pressure of 7.7 GPa.
View Article and Find Full Text PDFMaterials (Basel)
January 2025
Department of Materials Science and Eng, University of Ioannina, 45110 Ioannina, Greece.
Carbon-fiber-reinforced polymers (CFRPs) with epoxy matrices are widely applied in high-performance structural applications and represent one of the biggest classes of materials with urgent need for end-of-life management. Available waste management methodologies for conventional thermoset composites with a focus on CFRPs are briefly reviewed and their limitations are highlighted. In the quest to obtain materials with mechanical performance, thermal stability, and sustainability, the research community has turned its interest to develop polymer composites with adaptable and dynamic networks in their matrix, and lately also at an interface/interphase level.
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