A5064679660- Crystallization and Solubility Studies
- X-ray Diffraction in Crystallography
- Origins and Evolution of Life
- Analytical Chemistry and Chromatography
- Surface Chemistry and Catalysis
- Supramolecular Self-Assembly in Materials
- Photoreceptor and optogenetics research
- Crystallography and molecular interactions
- Chemical Synthesis and Analysis
- Magnetism in coordination complexes
- Advanced NMR Techniques and Applications
- Chemical synthesis and alkaloids
- Molecular Junctions and Nanostructures
- Quantum Dots Synthesis And Properties
- Malaria Research and Control
- Mass Spectrometry Techniques and Applications
- Organic Chemistry Cycloaddition Reactions
- Gene Regulatory Network Analysis
- ATP Synthase and ATPases Research
- Iron oxide chemistry and applications
- thermodynamics and calorimetric analyses
- Lanthanide and Transition Metal Complexes
- Radioactive element chemistry and processing
- Monoclonal and Polyclonal Antibodies Research
- Ion Transport and Channel Regulation
University of Oxford
2020-2024
Radboud University Nijmegen
2013-2019
Radboud Institute for Molecular Life Sciences
2014
Radboud University Medical Center
2014
SABRE hyperpolarizes substrates by polarization transfer from para-hydrogen in a metal complex. We have measured the signal enhancement of pyridine and its exchange rate various [Ir(NHC)(Py)3(H)2]+ complexes to gain insight into their dependence on N-Heterocyclic Carbene (NHC) ligand's steric electronic properties.
Bioorthogonal reactions are selective transformations that not affected by any biological functional group and widely used for chemical modification of biomolecules. Recently, we reported vinylboronic acids (VBAs) gave exceptionally high reaction rates in the bioorthogonal inverse electron-demand Diels–Alder (iEDDA) with tetrazines bearing a boron-coordinating pyridyl moiety compared to lacking such substituent. In this integrated experimental theoretical study, show how rate VBA-tetrazine...
Mefloquine is an important drug for prevention and treatment of malaria. It commercially available as a racemic mixture, wherein only one enantiomer active against malaria, while the other causes severe psychotropic effects. By converting into compound that crystallizes racemizable conglomerate, deracemization mefloquine desired was achieved.
We report chemically fuelled out-of-equilibrium self-replicating vesicles based on surfactant formation. studied the vesicles' autocatalytic formation using UPLC to determine monomer concentration and interferometric scattering microscopy at nanoparticle level. Unlike related reports of micelles, our vesicular system was too stable degradation be maintained out equilibrium. The introduction a catalyst, which introduces second catalytic cycle into metabolic network, used close first cycle....
Despite the importance of enantiopure chiral sulfoxides, few methods exist that allow for their deracemization. Here, we show an sulfoxide can be produced from corresponding racemate using Viedma ripening involving rearrangement-induced racemization. The suitable candidate was identified a library 24 sulfoxides through X-ray structure determination. Starting racemic sulfoxide, unprecedented application 2,3-sigmatropic rearrangement type racemization in process allowed complete
Viedma ripening is an emerging method for the solid-phase deracemization of mixtures enantiomers. Up to now, scope has remained limited molecules with a single stereocenter. We show here that this can be extended obtain enantiomer from mixture stereoisomers two different stereocenters. In addition, we by using tailor-made chiral additives, conversion time reduced factor 100.
Digitalis-like compounds (DLCs) comprise a diverse group of molecules characterized by cis–trans–cis ring-fused steroid core linked to lactone. They have been used in the treatment different medical problems including heart failure, where their inotropic effect on muscle is attributed potent Na+,K+-ATPase inhibition. Their application as drugs, however, has declined recent past years due small safety margin. Since human represented four isoforms expressed tissue-specific manner, one...
Viedma ripening allows the conversion of a solid state racemate into single enantiomer. Using gradual metastable racemic compound conglomerate, speed deracemization for two amino acid derivatives could be considerably increased from several days to few hours.
Abstract Signal amplification by reversible exchange (SABRE) is an emerging hyperpolarization method in NMR spectroscopy, which transferred through the scalar coupling network of para‐ hydrogen derived hydrides a metal complex to reversibly bound substrate. Substrates can even be hyperpolarized at concentrations below that addition suitable co‐substrate. Here we investigate catalytic system used for trace detection spectroscopy with [Ir(IMes)(H) 2 (L) 3 ] +...
Viedma ripening is a process that combines abrasive grinding of slurry crystals with solution-phase racemization, resulting in solid-phase deracemization. One the major disadvantages desired compound needs to crystallize as racemic conglomerate, accounting for only 5-10 % all chiral molecules. Herein, we show use additive causes deracemization under conditions, which normally crystallizes compound. Although this concerns single example, it envisioned through new approach scope can be...
The scope of Viedma ripening and temperature cycling with respect to chiral molecules has remained mostly limited a single stereogenic center, while racemization proceeds through inversion at that particular stereocenter. In this article we demonstrate for the first time atropisomers, rotamers possess an axis chirality, can be successfully deracemized in solid phase by either applying or ripening.
During Viedma ripening experiments on alanine 4-chlorobenzenesulfonic acid, the solution shows a small enantiomeric excess eel with reverse sign as compared to solid state excess. This is persistent, even after deracemization complete, long grinding maintained. A model that includes thermodynamic chiral clusters and their incorporation into larger crystals of same chirality explains this behavior. The size in good agreement estimated subcritical cluster distribution calculated basis...
Molecular nanotechnology is a rapidly developing field, and tremendous progress has been made in synthetic molecular machines. One long-sought after systems able to achieve the assembly-line like production of molecules. Here we report discovery rudimentary assembler that produces polymers. The supramolecular aggregate bifunctional surfactants produced by reaction two phase-separated reactants. Initially self-reproduction observed, but once it reaches critical concentration starts produce...
Abstract We report chemically fuelled out‐of‐equilibrium self‐replicating vesicles based on surfactant formation. studied the vesicles’ autocatalytic formation using UPLC to determine monomer concentration and interferometric scattering microscopy at nanoparticle level. Unlike related reports of micelles, our vesicular system was too stable degradation be maintained out equilibrium. The introduction a catalyst, which introduces second catalytic cycle into metabolic network, used close first...
Abstract Viedma ripening is an emerging method for the solid‐phase deracemization of mixtures enantiomers. Up to now, scope has remained limited molecules with a single stereocenter. We show here that this can be extended obtain enantiomer from mixture stereoisomers two different stereocenters. In addition, we by using tailor‐made chiral additives, conversion time reduced factor 100.
Abstract Mefloquine is an important drug for prevention and treatment of malaria. It commercially available as a racemic mixture, wherein only one enantiomer active against malaria, while the other causes severe psychotropic effects. By converting into compound that crystallizes racemizable conglomerate, deracemization mefloquine desired was achieved.
Abstract Chiral molecules exhibiting a quinone and/or hydroquinone moiety are ubiquitous in natural products and small molecule drugs. Herein, we describe chiral quinone‐hydroquinone that racemizes through reversible redox reaction. Using combined computational experimental approach, show this racemization proceeds via an intermolecular reaction mechanism. Starting from two achiral reactants, could be obtained enantiopure form using Viedma ripening.
Abstract Organothiol monolayers on metal substrates (Au, Ag, Cu) and their use in a wide variety of applications have been extensively studied. Here, the growth layers organothiols directly onto muscovite mica is demonstrated using simple procedure. Atomic force microscopy, surface X‐ray diffraction, vibrational sum‐frequency generation IR spectroscopy studies revealed that with various functional endgroups could be self‐assembled into (water) stable adaptable ultra‐flat organothiol over...
The crystal structures of four di-meth-oxy-benzaldehyde (C
Abstract Organothiol monolayers on metal substrates (Au, Ag, Cu) and their use in a wide variety of applications have been extensively studied. Here, the growth layers organothiols directly onto muscovite mica is demonstrated using simple procedure. Atomic force microscopy, surface X‐ray diffraction, vibrational sum‐frequency generation IR spectroscopy studies revealed that with various functional endgroups could be self‐assembled into (water) stable adaptable ultra‐flat organothiol over...
Since it was first developed, Nuclear Magnetic Resonance (NMR) has become a powerful analytical tool that is now used widely in the fields of chemistry, materials science, and medicine. One way to overcome intrinsic insensitivity NMR use hyperpolarization techniques produce non-Boltzmann spin-state distributions. these Signal Amplification By Reversible Exchange (SABRE),[1] which achieved by temporary association parahydrogen substrate coordination sphere transition metal. The polarization...