Paulina Dominiak

tel: (48) 22 55 26 714
e-mail: pdomin@chem.uw.edu.pl
address: ul. Żwirki i Wigury 101
room: 3.125
Researchgate
ORCID iD 
               iconorcid.org/0000-0002-1466-1243

Publications


2021

Cabaj MK, Dominiak PM
Phase transition of hypoxanthinium nitrate monohydrate
Crystal Growth and Design 21, 424-435, Published: 2021
[DOI: 10.1021/acs.cgd.0c01252]



2020

Brunner JS, Vogel A, Lercher A, Caldera M, Korosec A, Pühringer M, Hofmann M, Hajto A, Kieler M, Garrido LQ, Kerndl M, Kuttke M, Mesteri I, Górna MW, Kulik M, Dominiak PM, Brandon AE, Estevez E, Egan CL, Gruber F, Schweiger M, Menche J, Bergthaler A, Weichhart T, Klavins K, Febbraio MA, Sharif O, Schabbauer G
The PI3K pathway preserves metabolic health through MARCO-dependent lipid uptake by adipose tissue macrophages
Nature Metabolism, Published: 2020
[DOI: 10.1038/s42255-020-00311-5]
Sanjuan-Szklarz FW, Woińska M, Domagała S, Dominiak PM, Grabowsky S, Jayatilaka D, Gutmannd M, Woźniak K
On the accuracy and precision of X-ray and neutron diffraction results as a function of resolution and the electron density model
IUCrJ, 7, 920-933, Published: 2020
[DOI: /10.1107/S2052252520010441]
Cabaj MK, Dominiak PM
Frequency and hydrogen bonding of nucleobase homopairs in small molecule crystals
Nucleic Acids Research 48, 8302-8319, Published: 2020
[DOI: 10.1093/nar/gkaa629]
Jha KK, Gruza B, Kumar P, Chodkiewicz ML, Dominiak PM
TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data
Acta Crystallographica Section B B76, 296-306, Published: 2020
[DOI: /10.1107/S2052520620002917]
Gruza B, Chodkiewicz ML, Krzeszczakowska J, Dominiak PM
Refinement of organic crystal structures with multipolar electron scattering factors
Acta Crystallographica Section A 76, 92-109, Published: 2020
[DOI: 10.1107/S2053273319015304]


2019

Kumar P, Cabaj MK, Dominiak PM
Intermolecular Interactions in Ionic Crystals of Nucleobase Chlorides—Combining Topological Analysis of Electron Densities with Energies of Electrostatic Interactions
Crystals 9, 688-705, Published: 2019
[DOI: 10.3390/cryst9120668 ]
Cabaj MK, Gajda R, Hoser A, Makal A, Dominiak PM
Differences and similarities among hypoxanthinium nitrate hydrate structures
Acta Crystallographica Section C 75, 1036-1044, Published: 2019
[DOI: 10.1107/S2053229619008702]
Kumar P, Gruza B, Bojarowski SA, Dominiak PM
Extension of the transferable aspherical pseudoatom data bank for the comparison of molecular electrostatic potentials in structure–activity studies
Acta Crystallographica Section A 75, 398-408, Published: 2019
[DOI: 10.1107/S2053273319000482]


2018

Bojarowski SA, Kumar P, Wandtke CM, Bittrich B, Dominiak PM
Universal Method for Electrostatic Interaction Energies Estimation with Charge Penetration and Easily Attainable Point Charges
Journal of Chemical Theory and Computation 14, 12, 6336–6345; Published: 2018
[DOI: 10.1021/acs.jctc.8b00781]
Genoni A, Bucinsky L, Claiser N, Contreras-Garcia J, Dittrich B, Dominiak PM, et al.
Quantum Crystallography: Current Developments and Future Perspectives
Chemistry – A European Journal 24, 43, 10881-10905; Published: 2018
[DOI: 10.1002/chem.201705952]


Kumar P, Cabaj MK, Pazio A, Dominiak PM
Protonated nucleobases are not fully ionized in their chloride salt crystals and form metastable base pairs further stabilized by the surrounding anions
IUCrJ 5, 449-469; Published: 2018
[DOI: 10.1107/S2052252518006346]
Chodkiewicz ML, Migacz S, Rudnicki W, Makal A, Kalinowski JA, Moriarty NW, Grosse-Kunstleve RW, Afonine PV, Adams PD, Dominiak PM
DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs
Journal of Applied Crystallography 51, 193-199, Published: 2018
[DOI: 10.1107/S1600576717015825]
Budniak UA, Dominiak PM
Molecular tapes in the structure of isoguaninium chloride
Acta Crystallographica Section C 74, 108-112, Published: 2018
[DOI: 10.1107/S2053229617017685]


2017

Woinska M, Jayatilaka D, Dittrich B, Flaig R, Luger P, Wozniak K, Dominiak PM, Grabowsky S
Validation of X-ray Wavefunction Refinement
ChemPhysChem 18, 3334-3351, Published: 2017
[DOI: 10.1002/cphc.201700810]


Jarzembska KN, Slepokura K, Kaminski R, Gutmann MJ, Dominiak PM, Wozniak K
Multi-temperature study of potassium uridine-5 ‘ monophosphate: electron density distribution and anharmonic motion modelling
Acta Crystallographica Section B 73, 550-564, Published: 2017
[DOI: 10.1107/S2052520617005534]
Bojarowski SA, Kumar P, Dominiak PM
Interplay of point multipole moments and charge penetration for intermolecular electrostatic interaction energies from the University at Buffalo pseudoatom databank model of electron density
Acta Crystallographica Section B 73, 598-609, Published: 2017
[DOI: 10.1107/S2052520617005510]


2016

Bojarowski SA, Kumar P, Dominiak PM
A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation
ChemPhysChem 17, 2455-2460, Published: 2016
[DOI: 10.1002/cphc.201600390]
Woinska M, Grabowsky S, Dominiak PM, Wozniak K, Jayatilaka D
Hydrogen atoms can be located accurately and precisely by x-ray crystallography
Science Advances 2, Published: 2016
[DOI: 10.1126/sciadv.1600192]


2015

Adamczyk-Wozniak A, Cabaj MK, Dominiak PM, Gajowiec P, Gierczyk B, Lipok J, Popenda L, Schroeder G, Tomecka E, Urbanski P, Wieczorek D, Sporzynski A
The influence of fluorine position on the properties of fluorobenzoxaboroles
Bioorganic Chemistry 60, 130-135, Published: 2015
[DOI: 10.1016/j.bioorg.2015.05.004]
Kulik M, Goral AM, Jasinski M, Dominiak PM, Trylska J
Electrostatic Interactions in Aminoglycoside-RNA Complexes
Biophysical Journal 108, 655-665, Published: 2015
[DOI: 10.1016/j.bpj.2014.12.020]


2014

Woinska M, Jayatilaka D, Spackman MA, Edwards AJ, Dominiak PM, Wozniak K, Nishibori E, Sugimoto K, Grabowsky S
Hirshfeld atom refinement for modelling strong hydrogen bonds
Acta Crystallographica Section A 70, 483-498, Published: 2014
[DOI: 10.1107/S2053273314012443]
Malinska M, Jarzembska KN, Goral AM, Kutner A, Wozniak K, Dominiak PM
Sunitinib: from charge-density studies to interaction with proteins
Acta Crystallographica Section D 70, 1257-1270, Published: 2014
[DOI: 10.1107/S1399004714002351]
Kumar P, Bojarowski SA, Jarzembska KN, Domagala S, Vanommeslaeghe K, MacKerell AD, Dominiak PM
A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers
Journal of Chemical Theory and Computation 10, 1652-1664, Published: 2014
[DOI: 10.1021/ct4011129]
Dominiak PM
The importance and examples of application of aspherical pseudoatom databanks in small-molecule crystallography and their potential use in makromolecular crystallography
Wiadomości Chemiczne 68, 429–455, Published: 2014
[YADDA: bwmeta1.element.baztech-8d225708-fbd7-453f-8ac1-9645b48628d9], paper in Polish


2013

Jarzembska KN, Kaminski R, Wenger E, Lecomte C, Dominiak PM
Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil
Journal of Physical Chemistry C 117, 7764-7775, Published: 2013
[DOI: 10.1021/jp312158m]
Woinska M, Dominiak PM
Transferability of Atomic Multipoles in Amino Acids and Peptides for Various Density Partitions
Journal of Physical Chemistry A 117, 1535-1547, Published: 2013
[DOI: 10.1021/jp204010v]
Wesela-Bauman G, Boinski T, Dominiak P, Hajmowicz H, Synoradzki L, Wierzbicki M, Wolinski B, Wozniak K, Zawada K
Tartaric acid and its O-acyl derivatives. 7. Crystal structure of O-p-anisoyl-D-tartaric acid and its dimethylammonium salt trihydrate
Journal of Structural Chemistry 54, 155-158, Published: 2013
[DOI: 10.1134/S0022476613010228]
Jarzembska KN, Goral AM, Gajda R, Dominiak PM
Hoogsteen-Watson-Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing
Crystal Growth and Design 13, 239-254, Published: 2013
[DOI: 10.1021/cg301393e]


2012

Bak JM, Czyznikowska Z, Dominiak PM
Is it possible to derive quantitative information on polarization of electron density from the multipolar model?
Acta Crystallographica Section A 68, 705-714, Published: 2012
[DOI: 10.1107/S010876731203317X]
Jarzembska KN, Kubsik M, Kaminski R, Wozniak K, Dominiak PM
From a Single Molecule to Molecular Crystal Architectures: Structural and Energetic Studies of Selected Uracil Derivatives
Crystal Growth and Design 12, 2508-2524, Published: 2012
[DOI: 10.1021/cg300129z]
Jarzembska KN, Dominiak PM
New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011-towards nucleic acid modelling
Acta Crystallographica Section A 68, 139-147, Published: 2012
[DOI: 10.1107/S0108767311042176]


2011

Bak JM, Domagala S, Hubschle C, Jelsch C, Dittrich B, Dominiak PM
Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases
Acta Crystallographica Section A 67, 141-153, Published: 2011
[DOI: 10.1107/S0108767310049731]


2010

Czyznikowska Z, Gora RW, Zalesny R, Lipkowski P, Jarzembska KN, Dominiak PM, Leszczynski J
Structural Variability and the Nature of Intermolecular Interactions in Watson-Crick B-DNA Base Pairs
Journal of Physical Chemistry B 114, 9629-9644, Published: 2010
[DOI: 10.1021/jp101258q]
Yeap* GY, Yam WS, Dominiak PM, Ito M M,
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
Journal of Molecular Structure 967, 25-33, Published: 2010
[DOI: 10.1016/j.molstruc.2009.12.033]


2009

Bak JM, Dominiak PM, Wilson CC, Wozniak K
Experimental charge-density study of paracetamol – multipole refinement in the presence of a disordered methyl group
Acta Crystallographica Section A 65, 490-500, Published: 2009
[DOI: 10.1107/S0108767309031729]
Hoser AA, Dominiak PM, Wozniak K
Towards the best model for H atoms in experimental charge-density refinement
Acta Crystallographica Section A 65, 300-311, Published: 2009
[DOI: 10.1107/S0108767309019862]
Dominiak PM, Volkov A, Dominiak AP, Jarzembska KN, Coppens P
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 Crystallographica Section D 65, 485-499, Published: 2009
[DOI: 10.1107/S0907444909009433]



2008

Smirnov LS, Wozniak K, Dominiak PM, Loose A, Natkaniec I, Frontasyeva MV, Pomyakushina EV, Baranov AI, Dolbinina VV
Refinement of the crystal structure of [Rb-x(NH4)(1-x)](3)H(SO4)(2) (x=0.11) by sincyle-crystal X-ray and neutron diffraction: I. phase II at 300 K
Crystallography Reports 53, 3, 418-427, Published: 2008
[DOI: 10.1134/S1063774508030097]
Galinska M, Korybut-Daszkiewicz B, Wawrzyniak UE, Bilewicz R, Sledz P, Kaminski R, Dominiak PM, Wozniak K
Bis- and tris(tetraazamacrocyclic) copper complexes with disulfide linkers
European Journal of Inorganic Chemistry 14, 2295-2301, Published: 2008
[DOI: 10.1002/ejic.200701231]
Grolik J, Dominiak PM, Siero L, Wozniak K, Eilme J
New lacunar-type and pendant groups containing derivatives of beta-unsubstituted dibenzotetraaza[14]annulenes – syntheses and crystal structures
Tetrahedron 64, 33, 7796-7806, Published: 2008
[DOI: 10.1016/j.tet.2008.05.124]


2007

Reehuis M, Wozniak K, Dominiak PM, Smirnov LS, Natkaniec I, Baranov AI, Dolbinina VV
Refinement of the (NH(4))(3)H(SO(4))(2) Crystal Structure: II. X-Ray and Neutron Single-Crystal Diffraction from Phase II at Room Temperature
Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques 1, 6, 637-644, Published: 2007
[DOI: 10.1134/S1027451007060031]
Pearsal M, Gembicky M, Dominiak PM, Larsen A, Coppens P
Di-mu-nitrosyl-bis[(eta(5)-pentamethylcyclo-pentadienyl)ruthenium(0)](Ru – Ru)
Acta Crystallographica Section E 63, M2596-U1489, Published: 2007
[DOI: 10.1107/S1600536807045321]
Nikolai J, Loe O, Dominiak PM, Gerlitz OO, Autschbach J, Davies HML
Mechanistic studies of UV assisted [4+2] cycloadditions in synthetic efforts toward vibsanin E
Journal of the American Chemical Society 129, 35, 10763-10772, Published: 2007
[DOI: 10.1021/ja072090e]
Seifert F, Ciszak E, Korotchkina L, Golbik R, Spinka M, Dominiak PM, Sidhu S, Brauer J, Patel MS, Tittmann K
Phosphorylation of serine 264 impedes active site accessibility in the E1 component of the human pyruvate dehydrogenase multienzyme complex
Biochemistry 46, 21, 6277-6287, Published: 2007
[DOI: 10.1021/bi700083z]
Dominiak PM, Schiemenz GP, Wozniak K
Statistical analysis of consequences of peri-interactions in 1-Si, 8-N- (and 1-X, 8-Y-) substituted naphthalenes
Polish Journal of Chemistry 81, 663-681, Published: 2007
[ISSN: 0137-5083]
Smirnov LS, Melnyk G, Zink N, Wozniak K, Dominiak PM, Pawlukojc A, Shuvalov LA, Loose A
Refinement of Hydrogen Positions in (NH4)(2)SeO4
Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques 1, 1, 113-119, Published: FEB 2007
[DOI: 10.1134/S1027451007010235]
Dominiak PM, Volkov A, Li X, Messerschmidt M, Coppens P
A theoretical databank of transferable aspherical atoms and its application to electrostatic interaction energy calculations of macromolecules
Journal of Chemical Theory and Computation 3, 1, 232-247, Published: JAN-FEB 2007
[DOI: 10.1021/ct6001994]
You Y, Daniels TS, Dominiak PM, Detty MR
Synthesis, spectral data, and crystal structure of two novel substitution patterns in dithiaporphyrins
Journal of Porphyrins and Phthalocyanines 11, 1, 1-8, Published: 2007
[DOI: 10.1142/S1088424607000023]


2006

Zheng SL, Gembicky M, Messerschmidt M, Dominiak PM, Coppens P
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
Inorganic Chemistry 45, 23, 9281-9289, Published: 2006
[DOI: 10.1021/ic0609709]
Coppens P, Zheng SL, Gembicky M, Messerschmidt M, Dominiak PM
Supramolecular solids and time-resolved diffraction
CrystEngComm 8, 10, 735-741, Published: 2006
[DOI: 10.1039/b610286g]
Hedley SJ, Ventura DL, Dominiak PM, Nygren CL, Davies HML
Investigation into factors influencing stereoselectivity in the reactions of heterocycles with donor-acceptor-substituted rhodium carbenoids
Journal of Organic Chemistry 71, 14, 5349-5356, Published: 2006
[DOI: 10.1021/jo060779g]
West-Nielsen M, Dominiak PM, Wozniak K, Hansen PE
Strong intramolecular hydrogen bonding involving nitro- and acetyl groups. Deuterium isotope effects on chemical shifts
Journal of Molecular Structure 789, 81-91, Published: 2006
[DOI: 10.1016/j.molstruc.2005.12.036]
Dominiak PM, Coppens P
Finding optimal radial-function parameters for S atoms in the Hansen-Coppens multipole model through refinement of theoretical densities
Acta Crystallographica Section A 62, 224-227, Published: 2006
[DOI: 10.1107/S0108767306003266]
Dominiak PM, Makal A, Mallinson PR, Trzcinska K, Eilmes J, Grech E, Chruszcz M, Minor W, Wozniak K
Continua of interactions between pairs of atoms in molecular crystals
Chemistry – A European Journal 12, 7, 1941-1949, Published: 2006
[DOI: 10.1002/chem.200500600]


2005

Galan BR, Gembicky M, Dominiak PM, Keister JB, Diver ST
Carbon monoxide-promoted carbene insertion into the aryl substituent of an N-heterocyclic carbene ligand: Buchner reaction in a ruthenium carbene complex
Journal of American Chemical Society 127, 45, 15702-15703, Published: 2005
[DOI: 10.1021/ja0545618]
Dominiak PM, Filarowski A, Hansen PE, Wozniak K
Factor analysis of deuterium isotope effects on C-13 NMR chemical shifts in Schiff bases
Chemistry – A European Journal 11, 16, 4758-4766, Published: 2005
[DOI: 10.1002/chem.200401350]
Dominiak PM, Petersen S, Schiemenz B, Schiemenz GP, Wozniak K
peri-Interactions in naphthalenes, 13 – 8-dimethylamino-naphth-1-yl carbinols as model systems for potential N -> SUP interactions
Journal of Molecular Structure 751, 172-183, Published: 2005
[DOI: 10.1016/j.molstruc.2005.04.042]
Natarajan R, Savitha G, Dominiak PM, Woźniak K, Moorthy JN
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
Angewandte Chemie – International Edition 44, 14, 2115-2119, Published: 2005
[DOI: 10.1002/anie.200461625]
Kolodziejski W, Wozniak K, Herold J, Dominiak PM, Kutner A
Crystal and molecular structure of 1 alpha-hydroxylated analogs of vitamins D
Journal of Molecular Structure 734, 149-155, Published: 2005
[DOI: 10.1016/j.molstruc.2004.06.037]


2004

Kolodziej B, Dominiak PM, Koscielecka A, Schilf W, Grech E, Wozniak K
Neutral and ionic multiple hydrogen bonded moieties in crystal structure of a one tripodal Schiff base
Journal of Molecular Structure 691, 133-139, Published: 2004
[DOI: 10.1016/j.molstruc.2003.11.040]


2003

Ciszak EM, Korotchkina LG, Dominiak PM, Sidhu S, Patel MS
Structural basis for flip-flop action of thiamin pyrophosphate-dependent enzymes revealed by human pyruvate dehydrogenase
Journal of Biological Chemistry 278, 23, 21240-21246, Published: 2003
[DOI: 10.1074/jbc.M300339200]
Nawłoka PM, Kalinowska M, Pączkowski C, Wojciechowski ZA
Evidence for essential histidine and dicarboxylic amino-acid residues in the active site of UDP-glucose : solasodine glucosyltransferase from eggplant leaves
Acta Biochimica Polonica 50, 2, 567-572, Published: 2003
[YADDA: bwmeta1.element.bwnjournal-article-abpv50i2p567kz]
Dominiak PM, Herold J, Kolodziejski W, Wozniak K
H-bonding dependent structures of (NH4+)(3)H+(SO42-)(2). Mechanisms of phase transitions
Inorganic Chemistry 42, 5, 1590-1598, Published: 2003
[DOI: 10.1021/ic025705b]
Dominiak PM, Grech E, Barr G, Teat S, Mallinson P, Wozniak K
Neutral and ionic hydrogen bonding in Schiff bases
Chemistry – A European Journal 9, 4, 963-970, Published: 2003
[DOI: 10.1002/chem.200390118]


2002

Schiemenz GP, Porksen S, Dominiak PM, Wozniak K
peri-interactions in naphthalenes, 6 [1]. On hypercoordination of phosphorus in 8-dialkylamino-naphth-1-yl phosphonium salts
Zeitschrift für Naturforschung B 57, 8-18, Published: 2002
[DOI: 10.1515/znb-2002-0102]


Books

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