Magdalena Jezierska-Zięba - Academia.edu (original) (raw)

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Papers by Magdalena Jezierska-Zięba

Research paper thumbnail of Phase transfer catalysis in pharmaceutical industry--where are we?

PubMed, Jan 29, 2009

Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutic... more Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutical industry are described.

Research paper thumbnail of A DFT modelling of the Darzens reaction

Journal of Molecular Structure-theochem, 2008

The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Exp... more The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Experimentally, the reaction proceeds at boundary between two phases, water and a non-polar, therefore, the two environments were considered in the simulations. The calculations show the Darzens reaction to be a stepwise process both in the gas phase and in solvents (toluene, acetonitrile, and water). In all

Research paper thumbnail of Computational study of structure of a catalyst for Darzens asymmetric synthesis

Journal of Molecular Structure-theochem, May 1, 2010

Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid es... more Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid esters with benzaldehyde to yield glycidates in phase-transfer catalysis conditions, were studied by using the DFT/B3LYP/6-31G∗∗ calculations. Structure and energetics of several complexes between the chiral Darzens reaction catalysts and α-haloacetic ester carboanion were examined. Based on comparison of the complex stabilization energies and experimental ee values it

Research paper thumbnail of Nowe aspekty alkilowania aryloacetonitryli w warunkach katalizy międzyfazowej

Research paper thumbnail of CCDC 899836: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of Badania nad syntezą chlorowodorku (2R,3S)-3-fenyloizoseryny

Research paper thumbnail of Studies on the extraction of cyclic peptides from flax waste materials

Research paper thumbnail of Suplementy diety. Cz. 1, Pietruszka zwyczajna Petroselinum sativum (Hoffm.)

Research paper thumbnail of Suplement diety. Część 2, Seler (Apium graveolens)

Research paper thumbnail of Phase transfer catalysis in pharmaceutical industry--where are we?

Acta poloniae pharmaceutica

Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutic... more Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutical industry are described.

Research paper thumbnail of A DFT modelling of the Darzens reaction

Journal of Molecular Structure: THEOCHEM, 2008

The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Exp... more The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Experimentally, the reaction proceeds at boundary between two phases, water and a non-polar, therefore, the two environments were considered in the simulations. The calculations show the Darzens reaction to be a stepwise process both in the gas phase and in solvents (toluene, acetonitrile, and water). In all

Research paper thumbnail of N-(2-Bromobenzyl)cinchoninium bromide

Acta Crystallographica Section E Structure Reports Online, 2012

The title compound {systematic name: 1-(2-bromobenzyl)-5ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-... more The title compound {systematic name: 1-(2-bromobenzyl)-5ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium bromide}, C 26 H 28 BrN 2 O + ÁBr À , is a chiral quaternary ammonium salt of one of the Cinchona alkaloids. The planes of the quinoline and of the bromobenzyl substituent are inclined to one another by 9.11 (9). A weak intramolecular C-HÁ Á ÁO hydrogen bond occurs. The crystal structure features strong O-HÁ Á ÁBr hydrogen bonds and weak C-HÁ Á ÁBr interactions. Related literature For the structure of cinchonine base and its derivatives, see: Oleksyn et al. (1979); Dolling et al. (1984). For crystal structures of other selected Cinchona alkaloid derivatives with bulky substituents at the quinuclidine nitrogen atom, see:

Research paper thumbnail of Computational study of structure of a catalyst for Darzens asymmetric synthesis

Journal of Molecular Structure: THEOCHEM, 2010

Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid es... more Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid esters with benzaldehyde to yield glycidates in phase-transfer catalysis conditions, were studied by using the DFT/B3LYP/6-31G∗∗ calculations. Structure and energetics of several complexes between the chiral Darzens reaction catalysts and α-haloacetic ester carboanion were examined. Based on comparison of the complex stabilization energies and experimental ee values it

Research paper thumbnail of Phase transfer catalysis in pharmaceutical industry--where are we?

PubMed, Jan 29, 2009

Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutic... more Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutical industry are described.

Research paper thumbnail of A DFT modelling of the Darzens reaction

Journal of Molecular Structure-theochem, 2008

The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Exp... more The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Experimentally, the reaction proceeds at boundary between two phases, water and a non-polar, therefore, the two environments were considered in the simulations. The calculations show the Darzens reaction to be a stepwise process both in the gas phase and in solvents (toluene, acetonitrile, and water). In all

Research paper thumbnail of Computational study of structure of a catalyst for Darzens asymmetric synthesis

Journal of Molecular Structure-theochem, May 1, 2010

Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid es... more Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid esters with benzaldehyde to yield glycidates in phase-transfer catalysis conditions, were studied by using the DFT/B3LYP/6-31G∗∗ calculations. Structure and energetics of several complexes between the chiral Darzens reaction catalysts and α-haloacetic ester carboanion were examined. Based on comparison of the complex stabilization energies and experimental ee values it

Research paper thumbnail of Nowe aspekty alkilowania aryloacetonitryli w warunkach katalizy międzyfazowej

Research paper thumbnail of CCDC 899836: Experimental Crystal Structure Determination

An entry from the Cambridge Structural Database, the world's repository for small molecule cr... more An entry from the Cambridge Structural Database, the world's repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

Research paper thumbnail of Badania nad syntezą chlorowodorku (2R,3S)-3-fenyloizoseryny

Research paper thumbnail of Studies on the extraction of cyclic peptides from flax waste materials

Research paper thumbnail of Suplementy diety. Cz. 1, Pietruszka zwyczajna Petroselinum sativum (Hoffm.)

Research paper thumbnail of Suplement diety. Część 2, Seler (Apium graveolens)

Research paper thumbnail of Phase transfer catalysis in pharmaceutical industry--where are we?

Acta poloniae pharmaceutica

Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutic... more Basic concept of phase transfer catalysis, its specific features and applications in pharmaceutical industry are described.

Research paper thumbnail of A DFT modelling of the Darzens reaction

Journal of Molecular Structure: THEOCHEM, 2008

The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Exp... more The Darzens reaction leading to α,β-epoxy esters was modelled at the B3LYP/aug-cc-pVDZ level. Experimentally, the reaction proceeds at boundary between two phases, water and a non-polar, therefore, the two environments were considered in the simulations. The calculations show the Darzens reaction to be a stepwise process both in the gas phase and in solvents (toluene, acetonitrile, and water). In all

Research paper thumbnail of N-(2-Bromobenzyl)cinchoninium bromide

Acta Crystallographica Section E Structure Reports Online, 2012

The title compound {systematic name: 1-(2-bromobenzyl)-5ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-... more The title compound {systematic name: 1-(2-bromobenzyl)-5ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium bromide}, C 26 H 28 BrN 2 O + ÁBr À , is a chiral quaternary ammonium salt of one of the Cinchona alkaloids. The planes of the quinoline and of the bromobenzyl substituent are inclined to one another by 9.11 (9). A weak intramolecular C-HÁ Á ÁO hydrogen bond occurs. The crystal structure features strong O-HÁ Á ÁBr hydrogen bonds and weak C-HÁ Á ÁBr interactions. Related literature For the structure of cinchonine base and its derivatives, see: Oleksyn et al. (1979); Dolling et al. (1984). For crystal structures of other selected Cinchona alkaloid derivatives with bulky substituents at the quinuclidine nitrogen atom, see:

Research paper thumbnail of Computational study of structure of a catalyst for Darzens asymmetric synthesis

Journal of Molecular Structure: THEOCHEM, 2010

Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid es... more Chiral quaternary ammonium salts, catalysts for chiral Darzens reaction of α-chloroacetic acid esters with benzaldehyde to yield glycidates in phase-transfer catalysis conditions, were studied by using the DFT/B3LYP/6-31G∗∗ calculations. Structure and energetics of several complexes between the chiral Darzens reaction catalysts and α-haloacetic ester carboanion were examined. Based on comparison of the complex stabilization energies and experimental ee values it