Given a metabolic network in terms of its metabolites and reactions, our goal is to efficiently compute the minimal knock-out sets of reactions required to block a given behavior. We describe an algorithm that improves the computation of these knock-out sets when the elementary modes (minimal functional subsystems) of the network are given. We also describe an algorithm that computes both the k...

Recent research has resulted in considerable modification of the earlier concept that enzymatic transamination was limited to reactions between alanine, aspartate, glutamate, and their or-keto analogues. Reactions leading to the reversible amination of the cY-keto analogues of many of the natural amino acids have been described (l-5), and there is also evidence that aldehyde groups may particip...

A series of pentacyclic heterocyclic systems (15 examples, 69-89%) have been synthesized using intramolecular Povarov reactions involving 3-aminocoumarins and O-cinnamylsalicylaldehydes. The Povarov adducts are formed with high selectivity for the trans,trans relative stereochemistry in the newly-formed [6,6] fused ring system. One example of a Povarov adduct featuring a new [6,5] fused ring sy...

Phosphorothioate diester oligonucleotides proved to be fully compatible with maleimides in the context of two different conjugation reactions: (a) reaction of (5')diene-[phosphorothioate oligonucleotides] with maleimido-containing compounds to afford the Diels-Alder cycloadduct; (b) conjugation of (5')maleimido-[phosphorothioate oligonucleotides] with thiol-containing compounds. No evidence of ...

Although nucleophilic phosphine-catalysis is a powerful tool for the construction of various carbocycles and heterocycles, the reactions in which phosphines are incorporated into the final product are rare, and the reports on phosphine addition to highly electrophilic arynes are scarce. Herein, we report the phosphine triggered multicomponent reaction of arynes and aldehydes, which takes place ...

The different approaches for the synthesis of C,C-palladacycles are reviewed in this manuscript. These species hold a bidentate ligand that chelates Pd atom through two C-donor moieties. Their relevance is closely related to fact they intermediates many palladium-catalyzed transformations. Furthermore, some them have been used as efficient catalyst cross coupling reactions. review structured ac...

A set of elementary surface reactions is proposed for modeling the chemistry in a lean NOx trap during regeneration (reduction of stored NOx). The proposed reaction mechanism is based on a series of flow reactor temperature ramp experiments performed on a core sample from a fully formulated lean NOx trap catalyst. The experiments used simultaneous flow of NOx and reductant species (H2 and CO) t...