Search results for "enzymatic catalysis"

showing 2 items of 2 documents

Quantifying the limits of transition state theory in enzymatic catalysis

2017

Significance Transition state theory (TST) is the most popular theory to calculate the rates of enzymatic reactions. However, in some cases TST could fail due to the violation of the nonrecrossing hypothesis at the transition state. In the present work we show that even for one of the most controversial enzymatic reactions—the hydride transfer catalyzed by dihydrofolate reductase—the error associated to TST represents only a minor correction to the reaction rate. Moreover, this error is actually larger for the reaction in solution than in the enzymatic active site. Based on this finding and on previous studies we propose an “enzymatic shielding” hypothesis which encompasses various aspects …

Surface (mathematics)enzymatic catalysisDegrees of freedom (statistics)Molecular Dynamics Simulation010402 general chemistry01 natural sciencesEnzyme catalysisReaction coordinateReaction rateTransition state theoryMolecular dynamicsdihydrofolate reductasetransmission coefficientComputational chemistry0103 physical sciencesHumansdynamic effectsStatistical physicsIonsMultidisciplinary010304 chemical physicsChemistryState (functional analysis)Biological Sciencesbacterial infections and mycoses0104 chemical sciencesChemistryBiophysics and Computational BiologyKineticsTetrahydrofolate Dehydrogenasetransition state theoryPhysical SciencesBiocatalysisProceedings of the National Academy of Sciences
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Chemo-enzymatic Conversion of Glucose in 5-Hydroxymethylfurfural: The Joint Effect of Ionic Liquids and Ultrasound

2020

For the valorization of lignocellulosic biomass, a key step is unlocking the conversion of glucose to suitable chemical platforms. To this aim, we herein describe the sequential chemo-enzymatic conversion of glucose into 5-hydroxymethylfurfural (5-HMF), in two steps: glucose isomerization to fructose, catalyzed by glucose isomerase (GI) and fructose dehydration to 5-HMF promoted by Amberlyst 15. The novelty of our approach lies in the use of crude cell extracts of Streptomyces coelicolor showing GI activity, as isomerization catalysts, along with a commercial immobilized GI. Under optimized reaction conditions, we obtained a conversion to 5-HMF (C5‑HMF) from glucose of 50% in the H2O/[bmim]…

Glucose-6-phosphate isomeraseRenewable Energy Sustainability and the EnvironmentGeneral Chemical EngineeringSubstrate (chemistry)Lignocellulosic biomassFructoseSettore CHIM/06 - Chimica Organica02 engineering and technologyGeneral ChemistrySettore BIO/19 - Microbiologia Generale010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences0104 chemical sciencesCatalysisSonochemistrychemistry.chemical_compoundchemistryIonic liquidEnvironmental ChemistryOrganic chemistryCarbohydrate conversion Chemo-enzymatic catalysis Crude cell extract Ionic liquids Sonochemistry0210 nano-technologyIsomerizationACS Sustainable Chemistry & Engineering
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