A5043070735- Supramolecular Chemistry and Complexes
- Liquid Crystal Research Advancements
- Molecular Sensors and Ion Detection
- Chemical Reaction Mechanisms
- Nonlinear Dynamics and Pattern Formation
- Molecular spectroscopy and chirality
- Surfactants and Colloidal Systems
- Lipid Membrane Structure and Behavior
- Spectroscopy and Quantum Chemical Studies
- Chemical Reactions and Mechanisms
- Crystallization and Solubility Studies
- Advanced NMR Techniques and Applications
- Crystallography and molecular interactions
- Organic and Inorganic Chemical Reactions
- Protein Interaction Studies and Fluorescence Analysis
- X-ray Diffraction in Crystallography
- Porphyrin and Phthalocyanine Chemistry
- DNA and Nucleic Acid Chemistry
- Synthesis and biological activity
- Photosynthetic Processes and Mechanisms
- Organic Chemistry Cycloaddition Reactions
- Marine Toxins and Detection Methods
- Nonlinear Optical Materials Research
- Marine Invertebrate Physiology and Ecology
- Metallurgy and Material Forming
Pontificia Universidad Católica de Chile
2013-2023
Rede de Química e Tecnologia
2015-2021
Universidad Andrés Bello
2008
University of Chile
2001-2007
University of Calgary
2004-2005
Georgia Institute of Technology
2004
Phosphate diester hydrolysis is strongly accelerated, by a factor of 104, in the presence artificial enzymes especially designed light spatiotemporal concepts, anchoring imidazoles pillar[5]arene matrix. Host:guest complexes cleave aryl phosphodiesters via nucleophilic attack properly placed imidazole moieties with release 2,4-dinitrophenolate and formation unstable phosphoroamidates that regenerate catalyst 2,4-dinitrophenyl phosphate. Comparison reactivity P5IMD shows 270-fold increase....
Phosphate ester destabilization inside pillar[5]arene due to disrupting the H-bonding water speed its hydrolysis reaction.
The interaction between the studied coumarin derivatives-cucurbit[7]uril complexes and mercuric ions displays a positive cooperative effect relative to dyes alone.
The selective binding behavior of a trimethylammonium-derived pillar[5]arene towards different guests in aqueous media and under neutral conditions is reported. Although it known that this macrocycle has the capability to form complexes with guests, we anticipate intrinsic pillar shape two positively charged rims should allow diversity modes. three were selected based on their charge size. inclusion modes affinity host-guest determined by ITC NMR techniques. We reveal ability cationic water...
Based on a known pharmacophore model for 5-HT₆ receptor antagonists, series of novel extended derivatives the N-arylsulfonyindole scaffold were designed and identified as new class modulators. Eight compounds exhibited moderate to high binding affinities displayed antagonist profile in functional assays. Compounds 2-(4-(2-methoxyphenyl)piperazin-1-yl)-1-(1-tosyl-1H-indol-3-yl)ethanol (4b), 1-(1-(4-iodophenylsulfonyl)-1H-indol-3-yl)-2-(4-(2-methoxyphenyl)piperazin-1-yl)ethanol (4g)...
Understanding the molecular interactions that rule physicochemical properties of assemblies is particular interest when trying to explain behavior much more complicated systems, such as cell membranes. This work was devoted study a discotic nematic lyotropic liquid crystal, formed by sodium dodecylsulphate (3% SDS-d25) and decanol (20% DeOH-α-d2), dissolved in aqueous solutions (0.1% D2O) Na2SO4 or Li2SO4. The average size aggregates estimated using fluorescence quenching experiments, their...
Deuterium quadrupole splittings from two series of optical isomers, l- and d-N-acyl-1-phenyl-d5-2-aminopropane, with linear acyl chains ranging 1 to 10 carbon atoms, were measured using 2H NMR spectroscopy. Both molecules dissolved in anionic nematic cholesteric lyotropic liquid crystals prepared cesium N-dodecanoyl-l-alaninate. With these values, the order parameters that completely characterize average alignment aromatic ring calculated. Differential incorporation both isomers into...
The title thionocarbonate reacts with amines to form 4-cyanophenol and 3-nitrophenol in a 1.5 : 1 ratio. Theoretical results show that the products ratio depends on microsolvation of water molecules.
The structure and aggregation number of a discotic lyotropic liquid crystal, prepared from tetradecyltrimethylammonium chloride (TDTMACl)/decanol (DeOH)/NaCl/H2O, have been examined using fluorescence quenching pyrene by hexadecylpyridinium molecular dynamics (MD). method gives an 258 +/- 25 units (DeOH + TDTMACl). From the MD simulation, lower limit for aggregate dimension 130 DeOH TDTMACl is predicted. A stable oblate 240 was studied in detail. strong polarization between ammonium...
Most drugs have to cross cell membranes reach their final target. A better understanding of the distribution, interactions, and dynamics biologically active molecules in model bilayers is fundamental importance drug functioning design. 2H NMR quadrupole splittings (ΔνQ) longitudinal relaxation times (T1) from aromatic ring benzyl alcohol-d5 (C0), a commonly used anesthetic, series linear alkyl benzyl-d5 ethers with chain lengths 1 12 carbon atoms (C1−C12), were measured. The dissolved...
Thiol- and dithiocarbonates react with amines, forming tetrahedral intermediates then different product ratios. Theoretical results show that the ratio depends on water microsolvation of electrophilic group in anionic intermediate.
The organization of bilayers depends on the physicochemical and structural properties molecules that compose membrane.The phospholipid molecular shape relative volumes their polar headgroups non-polar acyl chains.In this work, we study effect DHPC concentration over bilayer large unilamellar vesicles (LUV) prepared with different proportions dipalmitoylphosphatidylcholine / sphingomyelin dihexanoylphosphatidylcholine (DPPC/SM/DHPC) using fluorescence spectroscopy dynamics (MD) simulations.In...
Spatiotemporal and preorganization factors were both responsible for the catalytic inhibitory supramolecular effects in decarboxylation reactions.
Brønsted plot of the reaction of<bold>9</bold>with secondary alicyclic amines. The concave upward non-linear is in accordance with two parallel mechanistic pathways.
Parathion, an organophosphorous pesticide, presents serious hazards to the environment and health. It inhibits acetylcholinesterase, enzyme incorporated in cell membrane. A study on behaviour of parathion a lipid is interesting from environmental cleaning biological perspectives. 2H NMR quadrupole splittings (ΔνQ) longitudinal relaxation times (T1) parathion-d4, dissolved nematic discotic lyomesophase made tetradecyltrimethylammonium chloride/decanol (10% 1,1-dideuterodecanol)/water (0.1%...
Indoles and azaindoles are very interesting heterocycles found in naturally occurring synthetic molecules exhibiting several biological activities associated with its physicochemical properties. Here, we report a study about the inclusion complex formation between trimethylammonium-derived pillar[5]arene (P5A) indole azaindole derivatives by NMR molecular dynamics simulations. Our results indicate that forms most stable of hosts, benzene fragment incorporated near to centre cavity. On other...
Deuterium quadrupole splittings, of deuterated water, Δv, in anionic discotic nematic lyomesophases are always much larger than cationic mesophases. To explore the possible origins this difference, Δv and T1 relaxation times HDO (H2O 0.2% D2O) decanol (DeOH 14% a-d2), solutions lyotropic liquid crystals, were measured using 2H-NMR. The four component mesophases prepared based on tetradecyltrimethylammonium bromide, (TTAB/DeOH/NaBr/H2O), cesium N-dodecanoyl-L-alaninate, (CsDAla/DeOH/KCl/H2O),...