Comput Math Methods Med - The MATCHIT automaton: exploiting compartmentalization for the synthesis of branched polymers.

Tópicos

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Resumo

We propose an automaton, a theoretical framework that demonstrates how to improve the yield of the synthesis of branched chemical polymer reactions. This is achieved by separating substeps of the path of synthesis into compartments. We use chemical containers (chemtainers) to carry the substances through a sequence of fixed successive compartments. We describe the automaton in mathematical terms and show how it can be configured automatically in order to synthesize a given branched polymer target. The algorithm we present finds an optimal path of synthesis in linear time. We discuss how the automaton models compartmentalized structures found in cells, such as the endoplasmic reticulum and the Golgi apparatus, and we show how this compartmentalization can be exploited for the synthesis of branched polymers such as oligosaccharides. Lastly, we show examples of artificial branched polymers and discuss how the automaton can be configured to synthesize them with maximal yield.

Resumo Limpo

propos automaton theoret framework demonstr improv yield synthesi branch chemic polym reaction achiev separ substep path synthesi compart use chemic contain chemtain carri substanc sequenc fix success compart describ automaton mathemat term show can configur automat order synthes given branch polym target algorithm present find optim path synthesi linear time discuss automaton model compartment structur found cell endoplasm reticulum golgi apparatus show compartment can exploit synthesi branch polym oligosaccharid last show exampl artifici branch polym discuss automaton can configur synthes maxim yield

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