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1

Experimental (FT-ICR) and theoretical (DFT) estimation of the basic site preference for the bidentate molecule 2-(β-aminoethyl)-pyridine: similarity with histamine

Ewa D. Raczyńska, Tomasz Rudka, Małgorzata Darowska, Iwona Dąbkowska, Jean-François Gal, Pierre-Charles Maria

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

2

Tautomeric Equilibria in Relation to Pi-Electron Delocalization

Raczyńska, Ewa Daniela, Kosińska, Wanda, Ośmiałowski, Borys, Gawinecki, Ryszard

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 946 KB

english, 2005

3

Gas-Phase Basicity of Polyfunctional Amidinazines: Experimental Evidence of Preferred Site(s) of Protonation

Raczyńska, Ewa D., Decouzon, Michèle, Gal, Jean-François, Maria, Pierre-Charles, Taft, Robert W., Anvia, Fred

Journal:

Journal of Organic Chemistry

Year:

2000

Language:

english

File:

PDF, 99 KB

english, 2000

4

Mass spectral fragmentation of tautomerizingN,N′-diarylbenzamidines

Raczyńska, Ewa D., Che, Zongling

Journal:

Journal of Mass Spectrometry

Year:

1999

Language:

english

File:

PDF, 63 KB

english, 1999

5

ChemInform Abstract: Prototropic Tautomerism in Amidines

Ewa D. Raczynska, Ryszard Gawinecki

Journal:

Year:

2000

File:

PDF, 23 KB

2000

6

ChemInform Abstract: Consequences of Internal Solvation in the Gas Phase

Ewa D. Raczynska, Krzysztof Wozniak

Journal:

Year:

2000

File:

PDF, 24 KB

2000

7

ChemInform Abstract: Superbases and Superacids in the Gas Phase

Ewa D. Raczynska, Michele Decouzon, Jean-Francois Gal, Pierre-Charles Maria, Krzysztof Wozniak, Rhio Kurg, Stuart N. Carins

Journal:

Year:

2000

File:

PDF, 24 KB

2000

8

ChemInform Abstract: Structure and Proton Transfer Reactions in Histamine

Ewa D. Raczynska, Michal K. Cyranski, Malgorzata Darowska, Tomasz Rudka

Journal:

Year:

2001

File:

PDF, 24 KB

2001

9

Acid—Base Equilibria in Polyfunctional Compounds.

Ewa D. Raczynska, Malgorzata Darowska, Tomasz Rudka, Elzbieta Gornicka

Journal:

Year:

2003

File:

PDF, 56 KB

2003

10

Consequences of Proton Transfer in Guanidine

Ewa D. Raczynska, Michal K. Cyranski, Maciej Gutowski, Janusz Rak, Jean-Francois Gal, Pierre-Charles Maria, Malgorzata Darowska, Kinga Duczmal

Journal:

Year:

2003

File:

PDF, 50 KB

2003

11

Tautomeric Preferences in Histamine and Its Model 4(5)-Alkylimidazoles

Ewa D. Raczynska, Malgorzata Darowska, Mariusz Makowski

Journal:

Year:

2005

File:

PDF, 8 KB

2005

12

Tautomeric Equilibria in Relation to Pi-Electron Delocalization

Ewa Daniela Raczynska, Wanda Kosinska, Borys Osmialowski, Ryszard Gawinecki

Journal:

Year:

2006

File:

PDF, 8 KB

2006

13

Change of the favored routes of EI MS fragmentation when proceeding from N1, N1-dimethyl-N2-arylformamidines to 1,1,3,3-tetraalkyl-2-arylguanidines: substituent effects

Ewa D. Raczyńska, Mariusz Makowski, Jean-François Gal, Pierre-Charles Maria

Journal:

Journal of Mass Spectrometry

Year:

2010

Language:

english

File:

PDF, 192 KB

english, 2010

14

Thermochemical aspects of proton transfer in the gas phase

Jean-François Gal, Pierre-Charles Maria, Ewa D. Raczyńska

Journal:

Journal of Mass Spectrometry

Year:

2001

Language:

english

File:

PDF, 282 KB

english, 2001

15

Amidines. XVII—substituent-induced chemical shifts in 13C NMR spectra of N2-phenyl-formamidines, -acetamidines and -guanidines

Janusz Oszczapowicz, Ewa Raczyńska, Jerzy Osek

Journal:

Magnetic Resonance in Chemistry

Year:

1986

Language:

english

File:

PDF, 812 KB

english, 1986

16

Quantum-chemical studies of amide–iminol tautomerism for inhibitor of lactate dehydrogenase: Oxamic acid

Ewa D. Raczyńska, Małgorzata Hallmann, Kinga Duczmal

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 462 KB

english, 2011

17

Low inversion energy barrier of cytisine NH group—an explanation for the FT-IR bands splitting

Joanna E. Rode, Ewa D. Raczyńska, Elżbieta Górnicka, Jan Cz. Dobrowolski

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 204 KB

english, 2005

18

Spectral (DFT-IR, FT-IR and UV) similarities and differences between substrate (pyruvate) and inhibitor (oxamate) of lactic dehydrogenase (LDH)

Kinga Duczmal, Małgorzata Darowska, Ewa D. Raczyńska

Journal:

Vibrational Spectroscopy

Year:

2005

Language:

english

File:

PDF, 146 KB

english, 2005

19

Tautomeric and conformational preferences in nitraminopyridines: Comparison of theoretical and experimental data

Ryszard Gawinecki, Ewa D. Raczyńska, Danuta Rasałla, Stanisłlaw Styrcz

Journal:

Year:

1997

Language:

english

File:

PDF, 438 KB

english, 1997

20

Computational (MP2 and DFT) modeling of the substrate/inhibitor interaction with the LDH active pocket in the gas phase and aqueous solution: bimolecular charged (pyruvate/oxamate–guanidinium cation) and neutral adducts (pyruvic/oxamic acids–guanidine)

Ewa D. Raczyńska, Mariusz Makowski, Magorzata Hallmann, Kinga Duczmal

Journal:

Journal of Physical Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 409 KB

english, 2009

21

Prototropy and π-electron delocalization for purine and its radical ions – DFT studies

Ewa D. Raczyńska, Beata Kamińska

Journal:

Journal of Physical Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 275 KB

english, 2010

22

Tautomerism of neutral and monoprotonated histamine—a comparison of semi-empirical and ab initio quantum mechanical predictions for ‘essential’ and ‘scorpio’ conformations

Ewa D. Raczyńska, Małgorzata Darowska, Tomasz Rudka, Mariusz Makowski

Journal:

Journal of Physical Organic Chemistry

Year:

2001

Language:

english

File:

PDF, 100 KB

english, 2001

23

Superbasic properties of the SN functional group

Ewa D. Raczyńska, Krzysztof Woźniak, Ewa Dolecka, Małgorzata Darowska

Journal:

Journal of Physical Organic Chemistry

Year:

2002

Language:

english

File:

PDF, 153 KB

english, 2002

24

Consequences of proton transfer in guanidine

Ewa D. Raczyńska, Michał K. Cyrański, Maciej Gutowski, Janusz Rak, Jean-François Gal, Pierre-Charles Maria, Małgorzata Darowska, Kinga Duczmal

Journal:

Journal of Physical Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 213 KB

english, 2003

25

Crystallographic studies of intra- and inter- molecular interactions. Part VI. Crystal and molecular structure of N,N′-dimethyl-N′-phenylsulphonylformamidine. Equalization of CN bond lengths in the amidine fragment as a result of substituent effects due to push–pull

Romana Anulewicz, Tadeusz Marek Krygowski, Ewa D. Raczyńska, Christian Laurence

Journal:

Journal of Physical Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 345 KB

english, 1991

26

Structural studies of 1,3-di(N,N-dimethylformamidyl)-2-cyanoguanidine. The case of a strongly lewis basic nitrogen atom in the cyano group VIII. Crystallographic studies of intra- and inter-molecular interactions

Tadeusz Marek Krygowski, Romana Anulewicz, Ewa D. Raczyńska, Christian Laurence

Journal:

Journal of Physical Organic Chemistry

Year:

1991

Language:

english

File:

PDF, 252 KB

english, 1991

27

Ab initio study of tautomerism and of basicity center preference in histamine, from gas phase to solution—comparison with experimental data (gas phase, solution, solid state)

Ewa D. Raczyńska, Małgorzata Darowska, Michał K. Cyrański, Mariusz Makowski, Tomasz Rudka, Jean-François Gal, Pierre-Charles Maria

Journal:

Journal of Physical Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 212 KB

english, 2003

28

Tautomeric equilibria, H-bonding and π-electron delocalization in o-nitrosophenol. A B3LYP/6–311 + G(2df,2p) study

Ewa D. Raczyńska, Tadeusz M. Krygowski, Joanna E. Zachara, Borys Ośmiałowski, Ryszard Gawinecki

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 130 KB

english, 2005

29

Consequence of one-electron oxidation and one-electron reduction for aniline

Ewa D. Raczyńska, Tomasz M. Stępniewski, Katarzyna Kolczyńska

Journal:

Journal of Molecular Modeling

Year:

2011

Language:

english

File:

PDF, 344 KB

english, 2011

30

Experimental (FT-IR and Raman) and theoretical (DFT) studies on the vibrational dynamics in cytisine

Elżbieta Górnicka, Joanna E. Rode, Ewa D. Raczyńska, Beata Dasiewicz, Jan Cz. Dobrowolski

Journal:

Vibrational Spectroscopy

Year:

2004

Language:

english

File:

PDF, 346 KB

english, 2004

31

Experimental (FT-IR) and theoretical (DFT-IR) studies of keto–enol tautomerism in pyruvic acid

Ewa D. Raczyńska, Kinga Duczmal, Małgorzata Darowska

Journal:

Vibrational Spectroscopy

Year:

2005

Language:

english

File:

PDF, 185 KB

english, 2005

32

Stability, polarity, intramolecular interactions and π-electron delocalization for all eighteen tautomers rotamers of uracil. DFT studies in the gas phase

Raczyńska, Ewa D., Zientara, Katarzyna, Stępniewski, Tomasz M., Kolczyńska, Katarzyna

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2009

Language:

english

File:

PDF, 186 KB

english, 2009

33

Influence of rotational isomerism on tautomerism and basicity of histamine and its model 4(5)-alkylimidazoles — AM1 studies for isolated molecules

Ewa D. Raczyńska, Tomasz Rudka, Małgorzata Darowska

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2001

Language:

english

File:

PDF, 216 KB

english, 2001

34

Theoretical studies of the influence of rotational isomerism on the basicity of 2,2′-bipyridine in the gas phase. Comparison with other biazines and bidentate nitrogen ligands with flexible conformation

Ewa D. Raczyńska

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 730 KB

english, 1998

35

On the basicity and π-electron delocalization of ‘hexaazabenzene’ N6 – Quantum-chemical studies

Ewa D. Raczyńska

Journal:

Computational and Theoretical Chemistry

Year:

2011

Language:

english

File:

PDF, 303 KB

english, 2011

36

Pregranulomatous phase of sarcoidosis: Immunohistochemical diagnosis

Kaz Jaskiewicz, Robert Rzepko, Anna Dubaniewicz, Ewa Jassem, Krystyna Raczynska

Journal:

Acta Histochemica

Year:

2006

Language:

english

File:

PDF, 250 KB

english, 2006

37

FT-IR spectroscopic, AM1 and PM3 computational studies of conformation of natural products: cytisine

Elżbieta Górnicka, Ewa D Raczyńska

Journal:

Year:

2002

Language:

english

File:

PDF, 172 KB

english, 2002

38

Quantum-chemical studies of the consequences of one-electron oxidation and one-electron reduction for imidazole in the gas phase and water

Ewa D. Raczyńska

Journal:

Computational and Theoretical Chemistry

Year:

2012

Language:

english

File:

PDF, 271 KB

english, 2012

39

Consequences of one-electron oxidation and one-electron reduction for 4-aminopyrimidine—DFT studies

Ewa D. Raczyńska, Katarzyna Kolczyńska, Tomasz M. Stępniewski

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 381 KB

english, 2012

40

DFT studies on one-electron oxidation and one-electron reduction for 2- and 4-aminopyridines

Ewa D. Raczyńska, Tomasz M. Stępniewski, Katarzyna Kolczyńska

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 628 KB

english, 2012

41

Threshold serum concentrations of tumour necrosis factor alpha (TNFα) as a potential marker of the presence of microangiopathy in children and adolescents with type 1 diabetes mellitus (T1DM)

Katarzyna Zorena, Marta Kula, Ewa Malinowska, Dorota Raczyńska, Małgorzata Myśliwiec, Krystyna Raczyńska

Journal:

Human Immunology

Year:

2013

Language:

english

File:

PDF, 489 KB

english, 2013

42

Hydrogen-bond basicity pKHB scale of aliphatic primary amines

Graton, Jérôme, Laurence, Christian, Berthelot, Michel, Le Questel, Jean-Yves, Besseau, François, D. Raczynska, Ewa

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 252 KB

english, 1999

43

Quantum-Chemical Studies on the Favored and Rare Tautomers of Neutral and Redox Adenine

Raczyńska, Ewa D., Makowski, Mariusz, Zientara-Rytter, Katarzyna, Kolczyńska, Katarzyna, Stępniewski, Tomasz M., Hallmann, Małgorzata

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 764 KB

english, 2013

44

Variations of the tautomeric preferences and π-electron delocalization for the neutral and redox forms of purine when proceeding from the gas phase (DFT) to water (PCM)

Ewa D. Raczyńska, Beata Kamińska

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 389 KB

english, 2013

45

On relation between prototropy and electron delocalization for neutral and redox adenine – DFT studies

Raczyńska, Ewa D., Kolczyńska, Katarzyna, Stępniewski, Tomasz M., Kamińska, Beata

Journal:

Computational and Theoretical Chemistry

Year:

2013

Language:

english

File:

PDF, 489 KB

english, 2013

46

Tautomeric Equilibria and Pi Electron Delocalization for Some MonohydroxyarenesQuantum Chemical Studies †

Ośmiałowski, Borys, Raczyńska, Ewa D., Krygowski, Tadeusz M.

Journal:

Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 268 KB

english, 2006

47

Basicité de liaison hydrogène de formamidines substituées sur l'azote imino

Raczyńska, Ewa D., Laurence, Christian, Berthelot, Michel

Journal:

Canadian Journal of Chemistry

Year:

1992

File:

PDF, 342 KB

1992

48

Electron delocalization and relative stabilities for the favored and rare tautomers of hydroxyazines in the gas phase – A comparison with aminoazines

Raczyńska, Ewa D.

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 424 KB

english, 2014

49

Effects of positive and negative ionization for 2-aminopyrimidine in the gas phase and in water solution

Raczyńska, Ewa D.

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 583 KB

english, 2014

50

Geometric consequences of electron delocalization for adenine tautomers in aqueous solution

Raczyńska, Ewa D., Makowski, Mariusz

Journal:

Journal of Molecular Modeling

Year:

2014

Language:

english

File:

PDF, 535 KB

english, 2014

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