prof. dr. Saron Catak
No current affiliation with UGent
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- Journal Article
- A1
- open access
Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines
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Use of 3-hydroxy-4-(trifluoromethyl)azetidin-2-ones as building blocks for the preparation of trifluoromethyl-containing aminopropanes, 1,3-oxazinan-2-ones, aziridines, and 1,4-dioxan-2-ones
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Theoretical insight into the regioselective ring-expansions of bicyclic aziridinium ions
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Tandem addition of phosphite nucleophiles across unsaturated nitrogen-containing systems : mechanistic insights on regioselectivity
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- Journal Article
- A1
- open access
Design of a thermally controlled sequence of triazolinedione-based click and transclick reactions
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Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines
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Influence of solvation and dynamics on the mechanism and kinetics of nucleophilic aromatic substitution reactions in liquid ammonia
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- Conference Paper
- C3
- open access
Stereoselectivity in furfural cation (4+3) cycloadditions
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Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: a computational approach
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- Journal Article
- A1
- open access
Possibility of [1,5] sigmatropic shifts in bicyclo[4.2.0]octa-2,4-dienes
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Elucidating the structural isomerism of fluorescent strigolactone analogue CISA-1
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Accelerated living cationic ring-opening polymerization of a methyl ester functionalized 2-oxazoline monomer
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PPV polymerization through the Gilch route: diradical character of monomers
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Synthesis of poly(2-oxazoline)s with side chain methyl ester functionalities: detailed understanding of living copolymerization behavior of methyl ester containing monomers with 2-alkyl-2-oxazolines
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Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity
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Reactivity of aziridinium salts in different solvents unraveled by a combined theoretical and experimental approach
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- Conference Paper
- C3
- open access
Cationic ring-opening polymerization of 2-propyl-2-oxazolines: understanding structural effects on polymerization behavior based on molecular modeling
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Diphosphonylation of aromatic diazaheterocycles and theoretical rationalization of product yields
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Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and a study of their reactivity
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- Conference Paper
- C3
- open access
DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV
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- Conference Paper
- C3
- open access
Computational rationalization of the ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams
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Cationic ring-opening polymerization of 2-propyl-2-oxazolines: understanding structural effects on polymerization behavior based on molecular modeling
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Synthesis of 2-hydroxy-1,4-oxazin-3-ones through ring transformation of 3-hydroxy-4-(1,2-dihydroxyethyl)-β-lactams and study of their reactivity
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Regioselectivity in the ring opening of non-activated aziridines
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- Journal Article
- A1
- open access
Diastereoselective Aldol reaction of Zincated 3-Chloro-3-methyl-1-azaallylic anions as key step in the synthesis of 1,2,3,4-Tetrasubstituted 3-Chloroazetidines
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- Journal Article
- A1
- open access
Solvent-controlled selective transformation of 2-Bromomethyl-2-methylaziridines to functionalized Aziridines and Azetidines
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Free radical polymerization of ethyl methacrylate and ethyl alpha-hydroxy methacrylate: a computational approach to the propagation kinetics
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- Conference Paper
- C3
- open access
Effect of the (n +1) residue on peptide deamidation
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- Conference Paper
- C3
- open access
Computational study on the formation of N-spiro bis-Aziridinium ions and their Nucleophile-induced ring opening reactions
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- Conference Paper
- C3
- open access
DFT calculations on aziridines within the supermolecule approach
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Solvent-catalyzed ring-chain-ring tautomerization in axially chiral compounds
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- Conference Paper
- C3
- open access
An REMD and QM/MM study into the sequence effect on asparagine deamidation
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DFT insight into the polymerization mechanism of conjugated electroluminescent polymer PPV
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Selective transformation of 2-halomethyl-2-methylaziridines to functionalized aziridines and azetidines
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- Conference Paper
- C3
- open access
Peptide deamidation : effect of neighboring residues
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Synthesis of 3-methoxyazetidines via an aziridine to azetidine rearrangement and theoretical rationalization of the reaction mechanism
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Scope and mechanism of the (4+3) cycloaddition reaction of furfuryl cations
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Competitive reactions of organophosphorus radicals on coke surfaces
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Reactivity of activated versus nonactivated 2-(bromomethyl)aziridines with respect to sodium methoxide: a combined computational and experimental study
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Stereoselective synthesis of cis-3,4-disubstituted piperidines through ring transformation of 2-(2-mesyloxyethyl)azetidines
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- Conference Paper
- C3
- open access
Modeling ring-chain-ring tautomerization of N-(o-aryl)-4-hydroxy-2-oxazolidinone derivatives
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Furan-oxidation-triggered inducible DNA cross-linking: acyclic versus cyclic furan-containing building blocks-on the benefit of restoring the cyclic sugar backbone
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Deamidation of peptides: succinimide hydrolysis pathways
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- Conference Paper
- C3
- open access
Reactivity of three-membered heterocyclic rings with respect to sodium methoxide
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- Conference Paper
- C3
- open access
Competitive pathways for peptide deamidation
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- Journal Article
- A1
- open access
Intramolecular pi-pi stacking interactions in 2-substituted N,N-dibenzylaziridinium ions and their regioselectivity in nucleophilic ring-opening reactions
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Comparative study of various normal mode analysis techniques based on partial Hessians
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Opposite regiospecific ring opening of 2-(cyanomethyl)aziridines by hydrogen bromide and benzyl bromide : experimental study and theoretical rationalization
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- Journal Article
- A1
- open access
Systematic study of halide-induced ring opening of 2-substituted aziridinium salts and theoretical rationalization of the reaction pathways
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Kinetic and mechanistic study on p-quinodimethane formation in the sulfinyl precursor route for the polymerization of poly(p-phenylenevinylene) (PPV)
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- Journal Article
- A1
- open access
A theoretical study of the mechanism of the desymmetrization of cyclic meso-anhydrides by chiral amino alcohols
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- Conference Paper
- C3
- open access
QM Metadynamics study on peptide deamidation
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QM metadynamics study on asparagine deamidation in proteins
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DFT-based elucidation of asparagine deamidation in peptides
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Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms
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Nucleophile-dependent regioselective ring opening of 2-substituted N,N-dibenzylaziridinium ions : bromide versus hydride
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- Conference Paper
- C3
- open access
QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins
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- Conference Paper
- C3
- open access
Elucidation of the acetamide hydrolysis mechanism using QM metadynamics simulations
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Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid
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Origin of Diastereoselectivity in the Synthesis of Chiral Bicyclic Lactams: π-Facial Selective Attack of Singlet Oxygen Induced by Hindered Internal Rotation
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Reaction mechanism of deamidation of asparaginyl residues in peptides: effect of solvent molecules
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Computational study of alkyllithium/pyridine derivative systems as initiators for the living anionic polymerization of methyl methacrylates
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Mechanism of the forbidden [3s,5s]-sigmatropic shift: orbital symmetry influences stepwise mechanisms involving diradical intermediates