Listar por tema "catalysis"
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Advanced formulations based on poly(ionic liquid)materials for additive manufacturing
MDPI (2022-11-24)Innovation in materials specially formulated for additive manufacturing is of great interest and can generate new opportunities for designing cost-effective smart materials for next-generation devices and engineering ... -
An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory
American Chemical Society (2021-12-08)A common challenge in molecular electrocatalysis is the relationship between maximum activity and the overpotential required to reach that rate, with faster catalysts incurring higher overpotentials. This work follows a ... -
Assessment of the PETase conformational changes induced bypoly(ethylene terephthalate) binding
Wiley (2021-06-02)Recently, a bacterium strain of Ideonella sakaiensis was identified with the uncommon ability to degrade the poly(ethylene terephthalate) (PET). The PETase from I. sakaiensis strain 201-F6 (IsPETase) catalyzes the hydrolysis ... -
AuNP−polymeric ionic liquid composite multicatalytic nanoreactors for one-pot cascade reactions
American Chemical Society (2016)Different AuNP-PIL nanocomposites have been developed as bifunctional catalysts in which the IL-like units promote the Knoevenagel condensation through a dual electrophilic/nucleophilic activation relay mechanism and ... -
Cuboidal Mo3S4 Clusters as a Platform for Exploring Catalysis: A Three-Center Sulfur Mechanism for Alkyne Semihydrogenation
American Chemical Society (2018-08-03)We report a trinuclear Mo3S4 diamino cluster that promotes the semihydrogenation of alkynes. Based on experimental and computational results, we propose an unprecedented mechanism in which only the three bridging sulfurs ... -
Design of new nanomaterials for their use in catalysis and photochemistry
Universitat Jaume I (2017-03-13)Durante el trabajo realizado en la presente tesis doctoral, se han diseñado y desarrollado nuevos nanomateriales para su uso en catálisis, fotocatálisis y fotoquímica. El capítulo 2, se ha centrado en la síntesis y ... -
Divergent Multistep Continuous Synthetic Transformations of Allylic Alcohol Enabled by Catalysts Immobilized in Ionic Liquid Phases
Wiley (2019-04-23)Two individual catalytic platforms (metal‐ and organo‐catalyzed) based on the use of an ionic liquid phase were successfully integrated for the synthesis of α‐cyano‐amine and cyanohydrin trimethylsilyl ethers from allylic ... -
Functional gels as microreactors
Universitat Jaume I (2016-11-04)Functionalized Hydrogels upon self-assembly demonslrate enzyme like catalysis owing to the formatin of hydrophobic pockets, increased local concentration of the catalytic sites, pKa change, pH shift etc. Here we present ... -
Immobilization of Pyrene-Tagged Palladium and Ruthenium Complexes onto Reduced Graphene Oxide: An Efficient and Highly Recyclable Catalyst for Hydrodefluorinatio
American Chemical Society (2014-12)The co-immobilization of palladium and ruthenium complexes with pyrene-tagged Nheterocyclic carbene ligands onto reduced grahene oxide allows the formation of a highly efficient catalyst for the hydrodefluorination of a ... -
Introducing Catalysis to Undergraduate Chemistry Students: Testing a Ru–NHC Complex in the Selective Dehydrogenative Coupling of Hydrosilanes and Alcohols
American Chemical Society (2021-07-14)This work describes a complete laboratory experiment that involves the synthesis of a ruthenium complex [Ru(p-cym)(NHC)Cl2] (NHC = N-heterocyclic carbene) and its use as a catalyst for the coupling of hydrosilanes and ... -
Is Promiscuous CALB a Good Scaffold for Designing New Epoxidases?
MDPI (2015)Candida Antarctica lipase B (CALB) is a well-known enzyme, especially because of its promiscuous activity. Due to its properties, CALB was widely used as a benchmark for designing new catalysts for important organic ... -
Loss of Hyperconjugative Effects Drives Hydride Transfer during Dihydrofolate Reductase Catalysis
American Chemical Society (2019-09-23)Hydride transfer is widespread in nature and has an essential role in applied research. However, the mechanisms of how this transformation occurs in living organisms remain a matter of vigorous debate. Here, we examined ... -
Materials for Direct Air Capture and Integrated CO2 Conversion: Advancement, Challenges, and Prospects
American Chemical Society (2023)Direct air capture and integrated CO2 conversion (DACC) technologies have emerged as promising approaches to mitigate the increasing concentration of carbon dioxide (CO2) in the Earth’s atmosphere. This Perspective provides ... -
Multifunctional Polymers Based on Ionic Liquid and Rose Bengal Fragments for the Conversion of CO2 to Carbonates
American Chemical Society (2021-01-19)Supported ionic liquid-like phases (SILLPs) containing Rose Bengal (RB) units are used to develop organocatalytic systems for the cycloaddition of CO2 to epoxides. The activity of the supported RB fragments can be fine-tuned ... -
Noncovalent Peptide Stapling Using Alpha-Methyl-l-Phenylalanine for α-Helical Peptidomimetics
American Chemical Society (2023-08-20)Peptides and peptidomimetics are attractive drug candidates because of their high target specificity and low-toxicity profiles. Developing peptidomimetics using hydrocarbon (HC)-stapling or other stapling strategies has ... -
Nuevos materiales basados en SILLPs (Supported Ionic Liquid-like Phases) para aplicaciones avanzadas en la Química y la Ingeniería Sostenible
Universitat Jaume I (2016-11-24)La Tesis Doctoral se enmarca dentro del área de la química sostenible y más concretamente en el campo de los líquidos iónicos poliméricos (PILs). El principal objetivo es el diseño y desarrollo de nuevos materiales ... -
On the catalytic transfer hydrogenation of nitroarenes by a cubane-type Mo3S4 cluster hydride: disentangling the nature of the reaction mechanism
Royal Society of Chemistry (2019)Cubane-type Mo3S4 cluster hydrides decorated with phosphine ligands are active catalysts for the transfer hydrogenation of nitroarenes to aniline derivatives in the presence of formic acid (HCOOH) and triethylamine (Et3N). ... -
On the role of multifunctional ionic liquids for the oxidative carboxylation of olefins with carbon dioxide
Elsevier (2023-03-23)Ionic liquids (ILs) are catalysts with profound effects on the activity and selectivity for the transformation of CO2. In particular, highly functionalisable and immobilisable imidazolium based ILs (ImILs) activate CO2 ... -
Paramagnetic ionic liquid-coated SiO2@Fe3O4 nanoparticles—The next generation of magnetically recoverable nanocatalysts applied in the glycolysis of PET
Elsevier (2020-01)The functionalization of silica-coated, magnetic Fe3O4 nanoparticles, with an iron-containing ionic liquid, allows for the synthesis of a Fe3O4@SiO2@(mim)[FeCl4] system that can be employed as a magnetically recoverable ... -
Peptide Bond Formation Mechanism Catalyzed by Ribosome
American Chemical Society (2015)In this paper we present a study of the peptide bond formation reaction catalyzed by ribosome. Different mechanistic proposals have been explored by means of Free Energy Perturbation methods within hybrid QM/MM potentials, ...