Crystallochemistry laboratory

Chemistry Department, Warsaw University

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dr hab. Paulina Maria Dominiak - Publication list

Article Index
dr hab. Paulina Maria Dominiak
Curriculum Vitae
Publication list
All Pages


Original Papers


49.  Bojarowski S. A., Kumar P., Dominiak* P. M., 2016, A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation. ChemPhysChem, 17, 2455-2460. Inside Back Cover Page

48.  Woinska M., Grabowsky* S., Dominiak P. M., Wozniak K., Jayatilaka D., 2016, Hydrogen atoms can be located accurately and precisely by x-ray crystallography. Science Adv., 2, e1600192.

47.  Adamczyk-Wozniak A., Cabaj M. K., Dominiak P. M., Gajowiec P., Gierczyk B., Lipok J., Popenda L., Schroeder G., Tomecka E., Urbanski P., Wieczorek D., Sporzynski* A., 2015, The influence of fluorine position on the properties of fluorobenzoxaboroles, Bioorganic Chem., 60, 130-135.

46.  Kulik M. Goral A. M., Jasinski M., Dominiak P. M., Trylska* J., 2015, Electrostatic Interactions in Aminoglycoside-RNA Complexes. Biophys. J., 108, 655-665. Cover Page

45.  Woinska, M., Jayatilaka D., Spackman M. A., Edwards A. J., Dominiak P. M., Wozniak K., Nishibori E., Sugimoto K., Grabowsky* S., 2014, Hirshfeld atom refinement for modelling strong hydrogen bonds. Acta Crystallogr. A, 70, 483-498.

44.  Malinska* M. Jarzembska K. N., Goral A. M., Kutner A., Wozniak K., Dominiak* P. M., 2014, Sunitinib: from charge-density studies to interaction with proteins. Acta Crystallogr.  D, 70, 1257-1270.

43.  Kumar P., Bojarowski S. A., Jarzembska K. N., Domagala S. Vanommeslaeghe K., MacKerell A. D. Jr., Dominiak* P. M., 2014, A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers. J. Chem. Theory Comput., 10, 1652-1664.

42.  Dominiak* P. M., 2014, Znaczenie i przykłady zastosowania banków pseudoatomów asferycznych w krystalografii małych cząsteczek i ich potencjalne wykorzystanie w krystalografii makromolekuł. Wiadomości Chemiczne, 68, 5-6.

41.  Jarzembska* K. N., Kaminski R., Wenger E., Lecomte C. & Dominiak P. M., 2013, The Interplay Between Charge Density Distribution, Crystal Structure Energetic Features and Crystal Morphology of 6-Methyl-2-Thiouracil. J. Phys. Chem. C, 117, 7764-7775.

40.  Woińska  M. & Dominiak* P. M., 2013, Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions. J. Phys. Chem. A, 117, 1535-1547.

39.  Wesela-Bauman* G., Boiński T., Dominiak P., Hajmowicz H., Synoradzki L., Wierzbicki M., Woliński B., Woźniak, K. & Zawada K., 2013, Tartaric acid and its O-acyl derivatives. 7. Crystal structure of O-p-anisoyl-D-tartaric acid and its dimethylammonium salt trihydrate.J. Struct. Chem., 54, 155-158.

38.  Jarzembska* K. N. , Goral A. M., Gajda R. & Dominiak* P. M., 2013, Hoogsteen-Watson-Crick 9-methyladenine:1-methylthymine complex: charge density study in the context of crystal engineering and nucleic acid base pairingCryst. Growth & Design, 13, 239-254.

37.  Bąk J. M., Czyżnikowska Z. &  Dominiak* P. M., 2012, Is it possible to derive quantitative information on polarization of electron density from the multipolar model?, Acta Crystallogr. A, 68, 705-714.

36.  Jarzembska* K. N., Kubsik M., Kamiński R., Woźniak K. & Dominiak* P. M., 2012, From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives, Cryst. Growth & Design, 12, 2508-2524.

35.  Jarzembska* K. N. & Dominiak* P. M., 2012, New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011-towards nucleic acid modelling, Acta Crystallogr. A,68, 139-147.

34.  Bąk J. M., Domagała S., Hübschle C., Jelsch C., Dittrich B. & Dominiak* P. M., 2011, Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases, Acta Crystallogr. A. 67, 141-153.

33.  Czyżnikowska* Ż., Góra R. W., Zaleśny R., Lipkowski P. Jarzembska K. N., Dominiak P. M. & Leszczyński J. 2010, Structural Variability and the Nature of Intermolecular Interactions in Watson-Crick B-DNA Base Pairs. J. Phys. Chem. B, 114, 9629-9644.

32.  Yeap* G.Y., Yam W.S., Dominiak P., Ito M. M., 2010, Synthesis and structural study on heterocyclic compounds 7-decanoyloxy-3-(4 '-substitutedpheny1)-4H-1-benzopyran-4-ones: Crystal structure of 7-decanoyloxy-3-(4 '-methylphenyl)-4H-1-benzopyran-4-one. J. Mol. Struct., 967, 25-33.

31.  Bąk J. M., Dominiak P. M., Wilson C. C. & Woźniak* K., 2009, Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group, Acta Crystallogr. A, 65, 490-500.

30.  Hoser A. A., Dominiak P. M. & Woźniak* K., 2009, Towards the best model for hydrogen atoms in experimental charge density refinement. Acta Crystallogr.A, 65, 300-311.

29.  Dominiak* P. M., Volkov A., Dominiak A. P., Jarzembska K. N. & Coppens* P., 2009, Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme-substrate complex: influenza neuraminidase inhibition. Acta Crystallogr. D, 65, 485-499. Cover Page

28.  Grolik J., Dominiak P. M., Sieroń L., Woźniak K., Eilmes* J., 2008, New lacunar-type and pendant groups containing derivatives of β-unsubstituted dibenzotetraaza[14]annulenes — syntheses and crystal structures. Tetrahedron, 64, 7796-7806.

27.  Smirnov L. S., Wozniak K., Dominiak P., Loose A., Natkaniec I., Frontasyeva M. V., Pomyakushina E. V.,  Baranov A. I. &  Dolbinina V. V., 2008, Refinement of the Crystal Structure of [Rbx(NH4)1 –x]3H(SO4)2(x= 0.11) by Single-Crystal X-ray and Neutron Diffraction: I. Phase II at 300 K. Crystallogr. Rep., 53, 418-427.

26.  Galińska M., Korybut-Daszkiewicz* B., Wawrzyniak U. E., Bilewicz* R., Śledź P., Kamiński R., Dominiak P. & Woźniak* K., 2008, Bis- and Tris(tetraazamacrocyclic) Copper Complexes with Disulfide Linkers. Eur. J. Inorg. Chem., 2008, 2295-2301.

25.  Reehuis M., Wozniak K., Dominiak P., Smirnov L. S., Natkaniec I., Baranov A. I. & Dolbinina V. V., 2007, Refinement of the (NH4)3H(SO4)2 Crystal Structure: II. X-Ray and Neutron Single-Crystal Diffraction from Phase II at Room Temperature. J. Surf. Investig. X-ray, Synchro. and Neutron Tech., 1, 637-644.

24.  Pearsal M., Gembicky* M., Dominiak P., Larsen A., Coppens P., 2007, Di-μ-nitrosyl-bis[(η5-pentamethylcyclopentadienyl)ruthenium(0)](Ru-Ru). Acta Crystallogr. E, 63, m2596.

23.  Nikolai J., Loe Ø., Dominiak  P. M., Gerlitz O. O., Autschbach* J. & Davies* H. M. L., 2007, Mechanistic Studies of UV Assisted [4 + 2] Cycloadditions in Synthetic Efforts toward Vibsanin E. J. Am. Chem. Soc., 129, 10763-10772.

22.  Seifert F., Ciszak E, Korotchkina L., Golbik R., Spinka M., Dominiak P., Sidhu S., Brauer J., Patel* M. S. & Tittmann* K., 2007, Phosphorylation of Serine 264 Impedes Active Site Accessibility in the E1 Component of the Human Pyruvate Dehydrogenase Multienzyme Complex‡. Biochemistry, 46, 6277-6287.

21.  Dominiak P. M., Schiemenz G. P. & Woźniak* K., 2007, Statistical Analysis of Consequences of peri-Interactions in 1-Si, 8-N- (and 1-X, 8-Y-) Substituted Naphthalenes. Polish J. Chem., 81, 663-681.

20.  Smirnov* L. S., Melnyk G., Zink N., Woźniak K., Dominiak P., Pawlukojc A., Shuvalov L. A. & Loose A., 2007, Refinement of Hydrogen Positions in (NH4)2SeO4. J. Surf. Investig. X-ray, Synchro. and Neutron Tech., 1, 113-119.

19.  Dominiak* P. M., Volkov* A., Li X., Messerschmidt M. & Coppens* P., 2007, Theoretical Databank of Transferable Aspherical Atoms and Its Application to Electrostatic Interaction Energy Calculations of Macromolecules. J. Chem. Theory Comput., 3, 232-247.

18.  You* Y., Daniels T. S., Dominiak P. M. & Detty M. R., 2007, Synthesis, spectral data, and crystal structure of two novel substitution patterns in dithiaporphyrins. J. Porphyr. Phthalocyanines, 11, 1-9.

17.  Zheng* S. –L., Gembicky M., Messerschmidt M., Dominiak P. M., & Coppens* P., 2006, The Effect of the Environment on Molecular Properties: Synthesis, Structure, and Photoluminescence of  Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Nanoclusters in Eight Different  Supramolecular Frameworks. Inorg. Chem., 45, 9281-9289.

16.  Hedley  S. J., Ventura  D. L., Dominiak  P. M., Nygren C. L. & Davies*  H. M. L., 2006, Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor-Acceptor-Substituted Rhodium Carbenoids. J. Org. Chem., 71, 5349-5356.

15.  West-Nielsen M., Dominiak P. M., Woźniak K., Hansen* P. E., 2006, Strong intramolecular hydrogen bonding involving nitro- and acetyl groups. Deuterium isotope effects on chemical shifts. J. Mol. Struct., 789, 81-91.

14.  Dominiak* P. M. & Coppens* P., 2006, Finding optimal radial-function parameters for S atoms in the Hansen–Coppens multipole model through refinement of theoretical densities, Acta Crystallogr. A, 62, 224-227.

13.  Dominiak P. M., Makal A., Mallinson P. R., Trzcińska K., Eilmes J., Grech E., Chruszcz M., Minor* W. & Woźniak* K., 2006, Continua of Interactions between Pairs of Atoms in Molecular Crystals. Chem. -Eur. J., 12, 1941-1949.

12.  Coppens* P., Zheng S. –L., Gembicky M., Messerschmidt M. & Dominiak P. M., 2006, Supramolecular solids and time-resolved diffraction. Crystengcomm., 8, 735-741.

11.  Galan B. R., Gembicky M., Dominiak P. M., Keister* J. B. & Diver* S. T., 2005, Carbon Monoxide-Promoted Carbene Insertion into the Aryl Substituent of an N-Heterocyclic Carbene Ligand: Buchner Reaction in a Ruthenium Carbene Complex. J. Am. Chem. Soc., 127, 15702-15703.

10.  Dominiak P. M., Petersen S., Schiemenz B., Schiemenz* G. P., Woźniak* K., 2005, peri- Interactions in naphthalenes, 13 8-Dimethylamino-naphth-1-yl carbinols as model systems for potential N → Si/P interactions. J. Mol. Struct., 751, 172-183.

9.     Dominiak P. M., Filarowski A., Hansen P. E. & Woźniak* K., 2005, Factor Analysis of Deuterium Isotope Effects on 13C NMR Chemical Shifts in Schiff Bases. Chem. -Eur. J., 11, 4758-4766.

8.     Kołodziejski W., Woźniak K., Herold J., Dominiak P. M., Kutner* A., 2005, Crystal and molecular structure of 1α-hydroxylated analogs of vitamins D. J. Mol. Struct., 734, 149-155.

7.     Natarajan R., Savitha G., Dominiak P., Woźniak K., and Moorthy* J. N., 2005, Corundum, Diamond, and PtS Metal-Organic Frameworks with a Difference: Self-Assembly of a Unique Pair of 3-Connecting D2d-Symmetric 3,3',5,5'-Tetrakis(4-pyridyl)bimesityl. Angew. Chem. -Int. Edit., 44, 2115-2119.

6.     Kołodziej B., Dominiak P. M., Kościelecka A., Schilf, W.  Grech E.,  Woźniak* K., 2004, Neutral and ionic multiple hydrogen bonded moieties in crystal structure of a one tripodal Schiff base. J. Mol. Struct., 691, 133-139.

5.     Ciszak* E., Korotchkina L. G., Dominiak P. M., Sidhu S. & Patel M. S., 2003, Structural Basis for Flip-Flop Action of Thiamin Pyrophosphate-dependent Enzymes Revealed by Human Pyruvate Dehydrogenase. J. Biol. Chem., 278, 21240-21246.

4.     Dominiak P. M., Herold J., Kołodziejski W. & Woźniak* K., 2003, H-Bonding Dependent Structures of (NH4+)3H+(SO42-)2. Mechanisms of Phase Transitions. Inorg. Chem., 42, 1590-1598.

3.     Dominiak  P. M., Grech  E., Barr  G., Tear  S., Mallinson  P. & Woźniak* K., 2003, Neutral and Ionic Hydrogen Bonding in Schiff Bases. Chem. -Eur. J., 9, 963-970.

2.     Nawłoka P., Kalinowska  M., Pączkowski C. & Wojciechowski* Z. A.  2003, Evidence for essential histidine and dicarboxylic amino-acid residues in the active site of UDP-glucose : solasodine glucosyltransferase from eggplant leaves. Acta Biochim. Pol., 50, 567-572.

1.     Schiemenz* G. P., Pörksen S., Dominiak P. M. & Woźniak, K., 2002, peri-Interactions in Naphthalenes, 6. On Hypercoordination of Phosphorus in 8-Dialkylamino-naphth-1-yl Phosphonium Salts, Z. Naturforsch.(B), 57, 8-18.



1. Dominiak, P. M.; Espinosa, E.; Angyan, J. G. „Intermolecular interaction energies from experimental charge density studies.” in Modern Charge-Density Analysis, Gatti, C. & Macchi, P., (ed.) 2012, Springer London, 387-433.


Last Updated on Friday, 11 August 2017 06:14  

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