A5059549026- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Free Radicals and Antioxidants
- Chemical Reaction Mechanisms
- Chemistry and Chemical Engineering
- Cyclopropane Reaction Mechanisms
- Synthesis and Catalytic Reactions
- Organic Chemistry Cycloaddition Reactions
- Computational Drug Discovery Methods
- Catalytic C–H Functionalization Methods
- Chemical Synthesis and Analysis
- Advanced biosensing and bioanalysis techniques
- DNA and Nucleic Acid Chemistry
- Synthesis and Biological Activity
- Asymmetric Synthesis and Catalysis
- Crystallography and molecular interactions
- Synthesis and Properties of Aromatic Compounds
- Coordination Chemistry and Organometallics
- Chemical Reactions and Mechanisms
- Advanced Chemical Physics Studies
- Asymmetric Hydrogenation and Catalysis
- RNA and protein synthesis mechanisms
- Synthetic Organic Chemistry Methods
- Chemical Thermodynamics and Molecular Structure
Simon Fraser University
2023-2025
University of Cambridge
2021
Universidad Autónoma del Estado de México
2016-2018
Rede de Química e Tecnologia
2016
The Grignard reaction represents one of the most powerful carbon-carbon bond forming reactions and is subject continual study. Investigations alkyl magnesium halide additions to β-hydroxy ketones identified a unique effect on diastereoselectivity, with alkylmagnesium iodide reagents demonstrating high levels selectivity for formation 1,3-syn diols. Density functional theory (DFT) calculations mechanistic studies suggest that Lewis acidity chelated alkoxide can be tuned by choice halide,...
Abstract Eribulin (Halaven) is the most structurally complex non-peptidic drug made by total synthesis and has challenged preconceptions of synthetic feasibility in discovery development. However, despite decades research, manufacture eribulin remains a daunting task. Here, we report syntheses fragment (C14–C35) used two distinct industrial routes to this important anticancer drug. Our convergent strategy relies on doubly diastereoselective Corey–Chaykovsky reaction affect union...
The theoretical calculation of pKa values for Brønsted acids is a challenging task that involves sophisticated and time-consuming methods. Therefore, heuristic approaches are efficient appealing methodologies to approximate these values. Herein, we used the maximum surface electrostatic potential (VS,max) on acidic hydrogen atoms carboxylic describe H-bond interaction with water (the same descriptor characterize σ-bonded complexes) correlate results experimental obtain predictive model other...
Fluorogenic RNA aptamer tags with high affinity enable purification and imaging. The G-quadruplex (G4) based Mango (M) series of aptamers were selected to bind a thiazole orange (TO1-Biotin) ligand. Using chemical biology reselection approach, we have produced MII.2 aptamer-ligand complex remarkable set properties: Its unprecedented KD 45 pM, formaldehyde resistance (8% v/v), temperature stability ligand photo-recycling properties are all unusual find simultaneously within small tag. Crystal...
σ-Holes are shown to promote the electrophilic behavior of chlorine atoms in a trichloromethyl group when bound an electron-withdrawing moiety. A halogen bond-type non-covalent interaction between atom and negatively charged sulfur takes place, causing abstraction such while leaving carbanion, subsequently driving chemical reduction sulfide stepwise process. The mechanism for model reaction pyrimidine 1 with thiophenolate thiophenol yield phenylsulfide 4 was followed through 1H-NMR studied...
Theoretical approaches to calculate pKa values for Brønsted acids is a challenging task that, most of the time, involves sophisticated and time-consuming methods. Therefore, heuristic are efficient appealing methodologies approximate these values. Herein, by considering electrostatic potential on acidic hydrogen atoms in similar fashion that σ–hole defined, we calculated maximum surface potential, VS,max, used it as descriptor correlate with experimental...
The crystal structure of 4-Methyl-N-(1-phenylethyl)-N′-(1-phenylethylidene) benzene sulfonohydrazide is disclosed, which obtained from direct reaction between acetophenone tosylhydrazone and potassium tert-butoxide. Reaction mechanisms the corresponding energy barriers were assessed through DFT calculations at B3LYP/6-31G(d,p) level theory showed that this compound plays an important role as intermediate in formation azine p-toluensulfonylhydrazone a carbene insertion on last compound.