Search results for "combinatorial"
showing 10 items of 1208 documents
Catalytic Reaction Mechanism in Native and Mutant Catechol- O-methyltransferase from the Adaptive String Method and Mean Reaction Force Analysis.
2018
Catechol- O-methyltransferase is an enzyme that catalyzes the methylation reaction of dopamine by S-adenosylmethionine, increasing the reaction rate by almost 16 orders of magnitude compared to the reaction in aqueous solution. Here, we combine the recently introduced adaptive string method and the mean reaction force method, in combination with the structural and electronic descriptors to characterize the reaction mechanism. The catalytic effect of the enzyme is addressed by the comparison of the reaction in the human wild-type enzyme, in the less effective Y68A mutant, and in aqueous solution. The influence of these different environments at different stages of the chemical process and th…
Metal- and Reagent-Free Electrochemical Synthesis of Alkyl Arylsulfonates in a Multi-Component Reaction.
2020
Abstract This work presents the first electrochemical preparation of alkyl arylsulfonates by direct anodic oxidation of electron‐rich arenes. The reaction mechanism features a multi‐component reaction consisting of electron‐rich arenes, an alcohol of choice and excess SO2 in an acetonitrile‐HFIP reaction mixture. In‐situ formed monoalkyl sulfites are considered as key intermediates with bifunctional purpose. Firstly, this species functions as nucleophile and secondly, excellent conductivity is provided. Several primary and secondary alcohols and electron‐rich arenes are implemented in this reaction to form the alkyl arylsulfonates in yields up to 73 % with exquisite selectivity. Boron‐doped…
ChemInform Abstract: Oxidative Transformation of Aryls Using Molybdenum Pentachloride
2012
Molybdenum pentachloride combines a strong Lewis acid character with an unusually high oxidation potential creating a powerful reagent for oxidative transformations. Since the oxidative coupling reaction of aryls is induced at an extraordinarily high reaction rate, a variety of labile groups, e.g. iodo, tert-alkyl, etc., are tolerated on the aromatic core. Furthermore, the co-formed molybdenum salts can either be exploited for template effects to obtain uncommon geometries in a preferred manner, or redox-play starts after aqueous workup. Therefore MoCl5 represents a unique and easily available reagent.
Recent Advances in Charge-Accelerated aza-Claisen Rearrangements
2005
Aza-Claisen rearrangements (3-aza-Cope rearrangements) have gained an in- creasing interest in synthetic organic chemistry. Originally, the exceptionally high reaction temperatures of this hetero variant of the well-known 3,3-sigmatropic reaction limited their applicability to selected molecules. Since about 1970, charge acceleration enabled a signifi- cant reduction of the reaction temperature to be achieved, and cation- and anion-promoted rearrangements found their way into the syntheses of more complex molecules. The first to- tal syntheses of natural products were reported. The development of zwitterionic aza-Claisen rearrangements allowed the reactions to be run at room temperature or …
CAMLearn : a semantic context-aware recommender system architecture : application on m-learning domain
2015
Given the rapid emergence of new mobile technologies and the growth of needs of a moving society in training, works are increasing to identify new relevant educational platforms to improve distant learning. The next step in distance learning is porting e-learning to mobile systems. This is called m-learning. So far, learning environment was either defined by an educational setting, or imposed by the educational content. In our approach, in m-learning, we change the paradigm where the system recommends content and adapts learning follow to learner's context.
High-Generation Amphiphilic Janus-Dendrimers as Stabilizing Agents for Drug Suspensions
2018
Pharmaceutical nanosuspensions are formed when drug crystals are suspended in aqueous media in the presence of stabilizers. This technology offers a convenient way to enhance the dissolution of poorly water-soluble drug compounds. The stabilizers exert their action through electrostatic or steric interactions, however, the molecular requirements of stabilizing agents have not been studied extensively. Here, four structurally related amphiphilic Janus-dendrimers were synthesized and screened to determine the roles of different macromolecular domains on the stabilization of drug crystals. Physical interaction and nanomilling experiments have substantiated that Janus-dendrimers with fourth gen…
Synthesis of Polycyclic Indolines by Utilizing a Reduction/Cyclization Cascade Reaction
2021
European journal of organic chemistry 2021(45), 6097-6101 (2021). doi:10.1002/ejoc.202101191
Biphenylthioureas as organocatalysts for electrochemical reductions
2007
Abstract Thioureas are able to act as organocatalysts in the electrochemical reduction of aromatic carboxylates.
Liposomes as nonspecific nanocarriers for 5-Fluorouracil in the presence of cyclodextrins
2021
Abstract 5-Fluorouracil (5-FU) is one of anticancer drugs with broad activity. Due to its severe side effects, recent studies concentrate on new ways of directed 5-FU delivery and its release in ill tissue. One of selective carriers could be cyclodextrins and liposomes. The combination of novel methods, leading to formation of inclusion complexes (IC) between host molecule of β-cyclodextrin (β-CD) or 2-hydroxypropyl-β-cyclodextrin (HP-β-CD) and 5-FU guest and its subsequent encapsulation in dipalmitoylphosphatidylcholine (DPPC) liposomes is studied experimentally in the present work. Several methods are applied to proof the encapsulation of the analysed drug and its release over time at 37 …
ChemInform Abstract: An Approach to 2,4-Substituted Pyrazolo[1,5-a]pyridines and Pyrazolo[1,5-a]azepines by Ring-Closing Metathesis.
2014
Based on the title approach, the diastereoselective synthesis of potential peptidomimetics [(XI) and (XIV)] is described.