A5057741467- Cyclopropane Reaction Mechanisms
- Catalytic Alkyne Reactions
- Catalytic C–H Functionalization Methods
- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Surface Chemistry and Catalysis
- Advanced biosensing and bioanalysis techniques
- Pneumocystis jirovecii pneumonia detection and treatment
- Legume Nitrogen Fixing Symbiosis
- RNA modifications and cancer
- Click Chemistry and Applications
- Chemical Synthesis and Analysis
- Catalytic Cross-Coupling Reactions
- Ferroptosis and cancer prognosis
- MicroRNA in disease regulation
- Chemical Reactions and Isotopes
- Macrophage Migration Inhibitory Factor
- DNA and Nucleic Acid Chemistry
- Enzyme Catalysis and Immobilization
- Molecular Junctions and Nanostructures
- Synthetic Organic Chemistry Methods
- Metal complexes synthesis and properties
- Distributed and Parallel Computing Systems
- Synthesis and Biological Evaluation
- Ammonia Synthesis and Nitrogen Reduction
Universidade de Santiago de Compostela
2009-2024
Center for Research in Molecular Medicine and Chronic Diseases
2018-2024
University of Groningen
2016-2020
Instituto de Química Orgánica General
2009-2012
Consejo Superior de Investigaciones Científicas
2012
Universidad de Zaragoza
2009
Abstract An artificial heme enzyme was created through self‐assembly from hemin and the lactococcal multidrug resistance regulator (LmrR). The crystal structure shows bound inside hydrophobic pore of protein, where it appears inaccessible for substrates. However, good catalytic activity moderate enantioselectivity observed in an abiological cyclopropanation reaction. We propose that dynamic nature LmrR protein is key to activity. This supported by molecular dynamics simulations, which showed...
Previous studies by our group have shown that oxidative phosphorylation (OXPHOS) is the main pathway which pancreatic cancer stem cells (CSCs) meet their energetic requirements; therefore, OXPHOS represents an Achille's heel of these highly tumorigenic cells. Unfortunately, therapies target in CSCs are lacking. The safety and anti-CSC activity a ruthenium complex featuring bipyridine terpyridine ligands one coordination labile position (Ru1) were evaluated across primary cultures vivo, using...
DNA-induced rate acceleration has been identified as one of the key elements for success DNA-based catalysis concept. Here we report on a novel catalytic Friedel–Crafts conjugate addition/enantioselective protonation reaction in water, which represents first example that critically depends >700- to 990-fold caused by presence DNA scaffold. The observed is highest reported due environment presented biomolecular scaffold any hybrid catalyst, date. Based combination kinetics and binding...
We report a highly enantioselective [3C + 2C] intramolecular cycloaddition of alkylidenecyclopropanes (ACPs) and alkenes. The best results are obtained by using sterically demanding chiral phosphoramidite ligands derived from Vapol. Moreover, we also show that related, but less bulky, phosphoramidites can lead to very effective [4C 3C] cycloadditions when dienes, instead alkenes, used as reacting partners. reactions provide practical, simple, selective access optically active, synthetically...
We present an artificial metalloenzyme based on the transcriptional regulator LmrR that exhibits dynamics involving positioning of its abiological metal cofactor. The position cofactor, in turn, was found to be related preferred catalytic reactivity, which is either enantioselective Friedel-Crafts alkylation indoles with β-substituted enones or tandem alkylation/enantioselective protonation α-substituted enones. could specialized for one these reactions introducing a single mutation protein....
The complex [OsTp(κ1-OCMe)2(PiPr3)]BF4 [Tp = hydridotris(pyrazolyl)borate] promotes the cleavage of both C(sp3)−C(sp2) bonds benzylidenecyclopropane and 3-phenylpropylidenecyclopropane to yield complexes [OsTp(═C═CHR)(η2-CH2═CH2)(PiPr3)]BF4 (R Ph, CH2CH2Ph). process is proposed take place via metallacyclopropene intermediates stabilized by an ethylene chelation assistant. driving force for fragmentation high stability resulting ethylene−Os−vinylidene species.
A practical protocol for the hydroalkynylation of enones using Pd catalysis is reported. The reaction proceeds efficiently with a variety alkynes as well several cyclic and acyclic enones, providing synthetically relevant β-alkynyl ketones in good to excellent yields.
Abstract An artificial heme enzyme was created through self‐assembly from hemin and the lactococcal multidrug resistance regulator (LmrR). The crystal structure shows bound inside hydrophobic pore of protein, where it appears inaccessible for substrates. However, good catalytic activity moderate enantioselectivity observed in an abiological cyclopropanation reaction. We propose that dynamic nature LmrR protein is key to activity. This supported by molecular dynamics simulations, which showed...
Halogen-free CC coupling: Catalytic amounts of [Pd2(dba)3] (dba=dibenzylideneacetone) and a sterically encumbered phosphite (L1) promote the addition CH bonds terminal alkynes (2) to alkylidenecyclopropanes (1). The reaction gives rise 1,4-enynes (3) in good yields. catalytic cycle probably consists Pd-catalyzed activation alkyne, regioselective hydropalladation followed by distal bond cleavage alkylidenecyclopropane, final reductive elimination. Detailed facts importance specialist...
Alkylidenecyclopropanes containing a chelation assistant at the terminal carbon atom of olefinic moiety undergo an Os- or Ru-promoted ring expansion reaction to afford metal cyclobutylidene derivatives. The process occurs through novel mechanism that implies 1,2-migration CH(2) group three-membered from other one. It takes place, without direct participation metal, on metallaheterocyclopentene intermediate which is generated eta(2)-methylenecyclopropane species stabilized by coordination assistant.
Abstract Background and aims: Annual world-wide cancer-related fatalities remain high for pancreatic ductal adenocarcinoma (PDAC), largely due to the presence of “stem-like” tumor cells known as cancer stem (CSCs). Previous studies by our group have shown that oxidative phosphorylation (OXPHOS) is main pathway which CSCs meet their energetic requirements; therefore, OXPHOS represents an Achille’s heel these highly tumorigenic cells. Methods: The anti-CSC activity a ruthenium complex...
We present an artificial metalloenzyme based on the transcriptional regulator LmrR that exhibits a unique form of structural dynamics involving positioning its abiological cofactor. The position cofactor was found to relate preferred catalytic activity, which is either enantioselective Friedel-Crafts alkylation indoles with beta-substituted or tandem / protonation alpha-substituted enones. could be specialized for one these reactions by introducing single mutation in protein.<br>
Abstract It provides an efficient method to prepare a number of β‐alkynylated ketones.
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at glance that was extracted from about 100 leading journals. To access of an article which published elsewhere, please select “Full Text” option. The original trackable via the “References”
We present an artificial metalloenzyme based on the transcriptional regulator LmrR that exhibits a unique form of structural dynamics involving positioning its abiological cofactor. The position cofactor was found to relate preferred catalytic activity, which is either enantioselective Friedel-Crafts alkylation indoles with beta-substituted or tandem / protonation alpha-substituted enones. could be specialized for one these reactions by introducing single mutation in protein.