1. M. Janesch, F. Pielnhofer, M. Dušek, I.G. Shenderovich & S. Gärtner
    Endohedral [Au@In10]9− Cluster: Synthesis and Characterization of Na3+xA6−xIn10Au (x = 0, 0.25; A = Rb, Cs)
    Inorganic Chemistry 65 (2026) 3343-3351.
  2. M.G. Zarouny, S.G. Kavishahi, Z. Asadi, M. Dušek, M. Kučeráková & B. Rastegari
    Defective dicubane cobalt clusters as selective anticancer agents: dual DNA/BSA targeting and structural-biological correlations
    Journal of Molecular Liquids 448 (2026) 129330(1)-129330(16).
  3. A. Ben Abdelhadi, S. Hidaoui, R. Ouarsal, M. Poupon, M. Dušek, M. de los Llanos Palop Herreros, M.A. Lopez de la Torre, L. Lezama, B. El Bali, M. Lachkar & A. Douhal
    A novel copper formate-based framework RbCu(HCO2)2Cl: synthesis, crystal structure, thermal, vibrational and magnetic properties and antibacterial activity
    Materials Advances 7 (2026) 2300-2310.
  4. D.K. Patel, M. Frey, M. Kučeráková, J. Macháček, D. Bavol, J. Picker, C. Neumann, Z. Bastl, M. Dušek, S. Ghosh, A. Turchanin, T. Pradeep & T. Base
    Thiolated Bis-meta-Carborane: A Molecular Rotor with Conformation-Dependent Dipole Moment
    JACS Au 6 (2026) 1327-1336.
  5. A. Neshat, M.R. Yousefshahi, M. Cheraghi, M. Dušek
    N‑Heterocyclic Carbene-Ag(I)-Phosphine Complexes: Comprehensive Synthesis, Characterization, and Bonding Analysis via Density Functional Theory
    ACS Omega 11 (2026) 14316-14326.
  6. M. Cheraghi, M.R. Yousefshahi, R. Taghizadeh-Tabarsi, A. Neshat, S. Akbari-Birgani, M. Dušek
    Naphthalene-Bridged Binucleating N-Heterocyclic Carbene Ligand: Theoretical Structure Analysis, Investigation of Coinage Metal Complexation, and Anticancer Effects
    Inorganic Chemistry Communications 175 (2025) 114145(1)-114145(13).
  7. H. Muto, T. Nakano, T. Watanabe, R. Takahashi, N. Takeda, J. Gouchi, Y. Uwatoko, M. Dušek, J. Prokleška, J. Pospíšil & V. Sechovský
    Coexistence of distinct Ce 4f-electron states at inequivalent crystallographic sites: CePtGe2 case
    Journal of Magnetism and Magnetic Materials 613 (2025) 172670(1)-172670(5).
  8. M. Khorramaki, M. Pourayoubi, V.R. Yazdan-Abad, V. Darugar, M. Vakili, M. Dušek
    Supramolecular assembly mediated through NH···OX (X = C, N, P) hydrogen bonds and Y···π (Y = Br, π) contacts: Structural/computational studies of the P(O)(NHC(O)C6H4-3-NO2)(NHC6H4-3-Br)2
    Journal of Molecular Structure 1321 (2025) 140068(1)-140068(12).
  9. D. Klos, M. Zatloukal, J. Vostálová, A. Rajnochová Svobodová, A. Ryšavá, J. Hanyk, M. Honig, M. Rác, B. Zálešák, M. Dušek, E. Samoľová, N. Nesnas, M. Strnad & L. Plíhalová
    Exploring the protective effects of soluble cytokinin salt p-topolin mesylate on skin through antioxidant activity
    Results in Chemistry 18 (2025) 102870(1)-102870(14).
  10. R. Kumaravel, H. Stoeckli-Evans, A. Subashini, M.G. Shankar, M. Kučeráková, M. Dušek, A. Crochet & K. Ramamurthi
    Structure of (E)-4-amino-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one: aerial oxidation of 4-aminoantipyrine in dimethylformamide
    Acta Crystallographica Section E 81 (2025) 438-443.
  11. Z. Razmara, M. Dušek
    Single-crystal structure feature of a new polymer based on Bi(III) as an antibacterial agent
    Journal of Molecular Structure 1342 (2025) 142699(1)-142699(9).
  12. M. Behzad, L. Ghasemi, S.B. Hossieni, M.H. Esfahani, A. Divsalar, M. Dušek
    Cu(II) complexes with unsymmetrical N3O-type Schiff base ligands: Synthesis, crystal structures, in vitro antiproliferative studies against the human breast (MCF-7), colon (HCT-116) and lung (A549) cancer cell lines, and molecular docking ...
    Inorganic Chemistry Communications 177 (2025) 114367(1)-114367(12).
  13. F. Sabbaghi, M. Pourayoubi, P. Golshani, M. Dušek
    Supramolecular Architecture of A New Naphthalene-based Diamidophosphoester
    Organic Chemistry Research 11 (2025) 110-113.
  14. B. Stoger, M. Weil, R. Glaum, K. Fejfarová, V. Petříček, M. Dušek, E. Libowitzky & E. Fuglein
    New structural insights into Fe2P2O7 – unravelling an unresolved dispute and three reversible phase transitions
    IUCrJ 12 (2025) 670-682.
  15. A. Ben Abdelhadi, M. Zerrouk, H.O. Hassani, M. Dušek, V. Eigner, R. Ouarsal, M. Lachkar & B. El Bali
    New hybrid phosphite (N2H5)2Co(H2PO3)4.2H2O: Synthesis, crystal structure, Hirshfeld surface analysis, characterization, and dye removal studies
    Inorganic Chemistry Communications 181 (2025) 115198(1)-115198(10).
  16. M. Seraji, S.A. Hosseini-Yazdi, M. Dušek, M. Poupon & C.A. Correa
    A new mononuclear hydrazone-based aluminum complex as a catalyst for solvent-free CO2 cycloaddition reaction
    Inorganica Chimica Acta 588 (2025) 122839(1)-122839(8).
  17. A. Ben Abdelhadi, R. Ouarsal, M. Poupon, M. Dušek, J.P.A. González, L. Lezama, B. El Bali, M. Lachkar & A. Douhal
    A novel layered Cu-based perovskite metal–organic framework with 1,2-diaminoethane cations: synthesis, crystal structure, and thermal and magnetic properties
    Materials Advances 5 (2024) 6154-6161.
  18. S. Šterbinská, R. Smolko, J. Černák, M. Dušek, L.R. Falvello & M. Tomás
    Neocuproine/nitrato complexes of Ni(II). Neutral and cationic species including salts with TCNQ: Preparation, chemical and spectroscopic properties and comparative structural chemistry
    Journal of Molecular Structure 1295 (2024) 136746(1)-136746(14).
  19. M.R. Yousefshahi, M. Cheraghi, T. Ghasemi, A. Neshat, V. Eigner, M. Dušek, M. Amjadi & S. Akbari-Birgani
    N‑Heterocyclic Carbene-Au(I)-Phosphine Complexes: Characterization, Theoretical Structure Analysis, and Anti-Cancer Properties
    Organometallics 43 (2024) 3031-3042.
  20. C. Gholamrezazadeh, M. Hakimi, M. Dušek
    Solvent-Free Synthesis, Crystal Structure and Molecular Docking of N-(2-Hydroxyethyl) Piperazinum Chloride with Selected Biological Proteins
    Journal of Chemical Crystallography 54 (2024) 347-357.
  21. R. Pažout, M. Dušek, J. Sejkora, J. Kopecký Plášil, G. Ilinca & Z. Dolníček
    Lazerckerite, Ag3.75Pb4.5(Sb7.75Bi4)S24, from Kutná Hora, Czech Republic: a new Sb–Bi member of the andorite branch of the lillianite homologous series
    European Journal of Mineralogy 36 (2024) 641-656.
  22. K.E. White, E.M. Avery, E. Cummings, Z. Hong, J. Langecker, A. Vetuško, M. Dušek, J. Macháček, J. Višnák, J. Endres, Z. Bastl, E. Mete, A.N. Alexandrova, T. Baše, P.S. Weiss
    Competing Intermolecular and Molecule−Surface Interactions: Dipole−Dipole-Driven Patterns in Mixed Carborane Self-Assembled Monolayers
    Chemistry of Materials 36 (2024) 2085-2095.
  23. R. Smolko, M. Dušek, J. Kuchár, E. Čižmár & J. Černák
    Syntheses, characterizations and crystal structures of two Ni(II) complexes [Ni2(neoc)4(H2O)(CO3)](NO3)2⋅3H2O and [Ni(bapa)2](NO3)2⋅H2<...
    Polyhedron 255 (2024) 116953(1)-116953(11).
  24. M. Idboumlik, I. Lakkab, S. Erraouan, N. Hamdi, M. Lachkar, M. Dušek, V. Eigner & B. El Bali
    Synthesis, crystal structure analysis, catalytic and biological activities of (H2en)3{V10O28}.6H2O. An improved refinement
    Journal of Molecular Structure 1312 (2024) 138551(1)-138551(11).
  25. M. I. Sousa Henriques, V. Petříček, M. Dušek
    Analysis of magnetic structures in JANA2020
    Acta Crystallographica Section B 80 (2024) 409-423.
  26. G. Bastien, Q. Courtade, A. Eliáš, T. Haidamak, P. Proschek, M. Dušek, J. Priessnitz, P. Baláž, R.H. Colman
    Quasi-two-dimensional ferromagnetism in the triangular magnet EuAl12O19
    Physical Review B 110 (2024) 094436(1)-094436(9).
  27. A. Neshat, A. Mahdavi, M.R. Yousefshahi, M. Cheraghi, S. Mohammadi, V. Eigner, M. Kučeráková, M. Dušek, B. Kaboudin & M.R. Halvagar
    Heterobimetallic Fe(II)–Cu(I) Complexes Supported with 1,1′-Bis(diphenylphosphino)ferrocene and Chelating Sulfur Donor Ligands: Structural Characterization, DFT Analysis, Anti-tyrosinase Assay and Biological Studies
    Journal of Organometallic Chemistry 1005 (2024) 122972(1)-122972(14).
  28. A. Neshat, A.M. Mobarakeh, M.R. Yousefshahi, F. Varmaghani, M. Dušek, M. Kučeráková
    Introducing Novel Redox-Active Bis(phenolate) N‑Heterocyclic Carbene Proligands: Investigation of Their Coordination to Fe(II)/Fe(III) and Their Catalytic Activity in Transfer Hydrogenation of Carbonyl Compounds
    ACS Omega 9 (2024) 25135-25145.
  29. S. Zinatloo-Ajabshir, S. Rakhshani, Z. Mehrabadi, M. Farsadrooh, M. Feizi-Dehnayebi, S. Rakhshani, M. Dušek, V. Eigner, S. Rtimi & T.M. Aminabhavi
    Novel rod-like [Cu(phen)2(OAc)]⋅PF6 complex for high-performance visible-light-driven photocatalytic degradation of hazardous organic dyes: DFT approach, Hirshfeld and fingerprint plot analysis
    Journal of Environmental Management 350 (2024) 119545(1)-119545(16).
  30. V. Petříček, L. Palatinus, M. Dušek
    JANA2020 – a new version of the crystallographic computing system JANA
    Zeitschrift für Kristallographie 238(7–8) (2023) 271-282.
  31. R. Pažout, J. Kopecký Plášil, M. Dušek, J. Sejkora & Z. Dolníček
    Holubite, Ag3Pb6(Sb8Bi3)Σ11S24, from Kutná Hora, Czech Republic, a new member of the andorite branch of the lillianite homologous series
    Mineralogical Magazine 87 (2023) 582–590-582–590.
  32. D. Kumar Patel, B.S. Sooraj, K. Kirakci, J. Macháček, M. Kučeráková, J. Bould, M. Dušek, M. Frey, C. Neumann, S. Ghosh, A. Turchanin, T. Pradeep & T. Base
    Macropolyhedral syn-B18H22, the “Forgotten” Isomer
    Journal of the American Chemical Society 145 (2023) 17975-17986.
  33. M.H. Esfahani, L. Ghasemi, M. Behzad, M. Dušek
    Design, Spectroscopic, and Crystal Structural Characterization of New Pyrazolone-Based Schiff Bases: Molecular Docking Investigations against SARS-Covid-19 Main Proteases (PDB Ids: 6LU7 and 7TLL)
    Polycyclic Aromatic Compounds 43(10) (2023) 8933-8945.
  34. R. Smolková, L. Smolko, M. Dušek
    Co(II) fenamato, tolfenamato and niflumato complexes with neocuproine: Synthesis, crystal structure, spectral characterization and biological activity
    Journal of Molecular Structure 1272 (2023) 134172(1)-134172(12).
  35. A. Katrusiak, M. Rusek, M. Dušek, V. Petříček & M. Szafranski
    Dipole-Moment Modulation in New Incommensurate Ferrocene
    Journal of Physical Chemistry Letters 14 (2023) 3111-3119.
  36. M. Pooyan, Z. Shariatinia, F. Mohammadpanah, K. Gholivand, M. Dušek, V. Eigner, M. Satari & A.A. Ebrahimi Valmoozi
    In vitro cytotoxicity evaluation of organotin(IV) complexes derived from bisphosphoramide ligand: DNA binding and molecular docking studies
    Journal of Molecular Liquids 391 (2023) 123442(1)-123442(16).
  37. A. Neshat, A. Mahdavi, M.R. Yousefshahi, M. Cheraghi, V. Eigner, M. Kučeráková, M. Dušek, F. Rezaie & B. Kaboudin
    Heteroleptic Silver(I) and Gold(I) N‑Heterocyclic Carbene Complexes: Structural Characterization, Computational Analysis, Tyrosinase Inhibitory, and Biological Effects
    Inorganic Chemistry 62 (2023) 16710-16724.
  38. S. Hosseinpoor, M. Pourayoubi, M. Abrishami, M. Sobati, F. Karimi Ahmadabad, F. Sabbaghi, M. Nečas, M. Dušek, M. Kučeráková & M. Kaur
    Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH..HC contacts and aliphatic–aromatic stacking
    CrystEngComm 25 (2023) 2557-2569.
  39. F. Nasuhipur, Z. Ghasemi, M. Dušek
    POCl3 mediated one-pot deoxygenative aromatization and electrophilic chlorination of dihydroxy-2-methyl-4-oxo-indeno[1,2-b]pyrroles
    RSC Advances 13 (2023) 17812-17816.
  40. M. Akouibaa, H.O. Hassani, R. Ouarsal, S. Rakib, M. Lachkar, M. Poupon, M. Dušek, N. Morley, B. El Bali
    (H3dien)[Ni(NO3)(C2O4)2].2H2O: Synthesis, crystal structure, catalytic activity and magnetic study
    Chemical Data Collections 42 (2022) 100969(1)-100969(17).
  41. I. Matulková, J. Fábry, V. Eigner, M. Dušek, J. Kroupa, I. Němec
    Isostructural Crystals of Bis(Guanidinium) Trioxofluoro-Phosphate/Phosphite in the Ratio 1/0, 0.716/0.284, 0.501/0.499, 0.268/0.732, 0/1—Crystal Structures, Vibrational Spectra and Second Harmonic Generation
    Crystals 12 (2022) 1-16.
  42. Z. Razmara, H.S. Delarami, V. Eigner, M. Dušek
    Single crystal structure feature and quantum mechanical studies of a new binuclear Bi (III) complex and its activity against Helicobacter pylori
    Inorganic Chemistry Communications 146 (2022) 110207(1)-110207(9).
  43. Z. Razmara, V. Eigner, M. Dušek
    Single crystal structure features of a new tri-hetero metallic polymer, a catalyst for mild homogeneous peroxidative oxidation of cyclohexane
    Journal of Solid State Chemistry 311 (2022) 123123(1)-123123(9).
  44. T. Zandvakili, S.J. Fatemi, S.Y. Ebrahimipour, H. Ebrahimnejad, J. Castro, M. Dušek, V. Eigner
    Deferasirox pyridine solvate and its Cu(II) complex: Synthesis, crystal structure, Hirshfeld surface analysis, antimicrobial assays and antioxidant activity
    Journal of Molecular Structure 1249 (2022) 131525(1)-131525(13).
  45. J. Jayashankar, M.K. Hema, G. Mahmoudi, A. Masoudiasl, M. Dušek, M. Montazerozohori, C.S. Karthik & N.K. Lokanath
    N,N' -bis(2-bromobenzylidene)-2,2'-diaminodiphenyldisulfide (BBDD): Insights of crystal structure, DFT, QTAIM, PASS, ADMET and molecular docking studies
    Journal of Molecular Structure 1268 (2022) 133657(1)-133657(14).
  46. S. Saheli, A.R. Rezvani, A. Moghaddami, M. Dušek, E. Samoľová
    Production of light olefins and C5+ hydrocarbons in the Fischer-Tropsch synthesis by using inorganic precursor
    Chemistry Select 7(29) (2022) e202201286(1)-e202201286(11).
  47. L. Martinazzoli, S. Nargelas, P. Boháček, R. Calá, M. Dušek, J. Rohlíček, G. Tamulaitis, M. Nikl
    Compositional engineering of multicomponent garnet scintillators: towards an ultra-accelerated scintillation response
    Materials Advances 3 (2022) 6842-6852.
  48. J. Fábry, M. Dušek
    Two isomers Ba5Mg4C54O48H114 and Pb5Mg4C54O48H114
    Zeitschrift für Kristallographie 237(8-9) (2022) 351-359.
  49. S.N. Podyachev, S.N. Sudakova, R.R. Zairov, V.V. Syakaev, A.N. Masliy, M. Dušek, A.T. Gubaidullin, A.P. Dovzhenko, D.N. Buzyurova, D.V. Lapaev, G.Sh. Mambetova, V.M. Babaev, A.M. Kuznetsov & A.R. Mustafina
    Modulating the Inclusive and Coordinating Ability of Thiacalix[4]arene and its Antenna Effect on Yb3+-Luminescence via Upper-Rim Substitution
    Molecules 27 (2022) 6793(1)-6793(17).
  50. D. Klos, M. Dušek, E. Samoľová, M. Zatloukal, V. Nožková, N. Nesnas, L. Plačková, R. Koprna, Z. Spíšek, H. Vylíčilová, O. Plíhal, K. Doležal, J. Voller, A. Kadlecová, M. Strnad, L. Plíhalová
    New Water-Soluble Cytokinin Derivatives and Their Beneficial Impact on Barley Yield and Photosynthesis
    Journal of Agricultural and Food Chemistry 70 (2022) 7288-7301.