Alessandro Filisetti, Alex Graudenzi, Roberto Serra, Marco Villani, Davide De Lucrezia, Rudolf Marcel Füchslin, Stuart Kauffman, Norman H. Packard, Irene Poli
AbstractBackgroundThe concept of an autocatalytic set of molecules has been posited theoretically and demonstrated empirically with catalytic RNA molecules. For this concept to have significance in a realistic origins-of-life scenario, it will be important to demonstrate the evolvability of suc...... hiện toàn bộ
Vittorio Saggiomo, Yana R. Hristova, R. Frederick Ludlow, Sijbren Otto
AbstractBackgroundThe assessment of molecular similarity is a key step in the drug discovery process that has thus far relied almost exclusively on computational approaches. We now report an experimental method for similarity assessment based on dynamic combinatorial chemistry.
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Arne Dieckmann, Sabrina Beniken, Christian Lorenz, Nikos L Doltsinis, Günter von Kiedrowski
A self-replicating system based on a cycloaddition of a fulvene derivative and a maleinimide is investigated using a two-pronged approach combining NMR spectroscopy with computer simulations. In the course of the reaction, two diastereomers are formed with identical rates in the absence of replication. When replication is enabled, a network emerges in which one diastereomer takes over the resource...... hiện toàn bộ
The mathematical form of the energy-entropy relationship is that of the relationship between the difference and the ratio of any two 'entities' x and y creating a geometrical 3D projection x = y·z, i.e., a surface of the shape of a hyperbolic paraboloid being a particular form of a quadric. The significance of this relationship is discussed here in a realm beyond thermodynamics. Somewhat intuitive...... hiện toàn bộ
Though Darwinian theory dramatically revolutionized biological understanding, its strictly biological focus has resulted in a widening conceptual gulf between the biological and physical sciences. In this paper we strive to extend and reformulate Darwinian theory in physicochemical terms so it can accommodate both animate and inanimate systems, thereby helping to bridge this scientific divide. The...... hiện toàn bộ
Jakob L Andersen, Christoph Flamm, Daniel Merkle, Peter F Stadler
Modeling molecules as undirected graphs and chemical reactions as graph rewriting operations is a natural and convenient approach to modeling chemistry. Graph grammar rules are most naturally employed to model elementary reactions like merging, splitting, and isomerisation of molecules. It is often convenient, in particular in the analysis of larger systems, to summarize several subsequent reactio...... hiện toàn bộ
In previous work, RAF theory has been developed as a tool for making theoretical progress on the origin of life question, providing insight into the structure and occurrence of self-sustaining and collectively autocatalytic sets within catalytic polymer networks. We present here an extension in which there are two “independent” polymer sets, where catalysis occurs within and between the sets, but ...... hiện toàn bộ
Fatty acid vesicles are an important part of protocell models currently studied. As protocells can be considered as pre-biological precursors of cells, the models try to contribute to a better understanding of the (cellular) origin of life and emphasize on 2 major aspects: compartmentalization and replication. It has been demonstrated that lipid-based membranes are amenable to growth and division ...... hiện toàn bộ