1. 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.
  2. P. Dehghan, M. Tabatabaee, S.M. Seifati, M. Kučeráková
    Synthesis, Spectroscopic Characterization, and In Vitro Antibacterial and Anticancer Activities of a Novel Zn(II) Complex Bearing sulfonamide ligand
    Journal of Molecular Structure 1351 (2026) 144143(1)-144143(10).
  3. S. Bairagi, D.K. Patel, D. Chatterjee, M. Kučeráková, J. Macháček, T. Base, T. Pradeep & S. Ghosh
    Cluster versus coordination: the chemistry of cyclopentadienyl titanium and vanadium complexes with B- and C-functionalized carborane-thiols, [C2B10H12−n(SH)n] (n = 2 or 3)
    Chemical Science 16 (2025) 14127-14139.
  4. M.G. Zarouny, Z. Asadi, S. Abdi, M. Kučeráková, M. Dušek & B. Rastegari
    Anticancer drug design of potassium ion (K+) assisted self-assembled Cu(II) Schiff base complex and its Ni(II) and Zn(II) analogues (3d-4s): A comparative study of DNA/protein (BSA) interactions and cytotoxicity
    Journal of Molecular Structure 1324 (2025) 140940(1)-140940(15).
  5. M. Behzad, L. Ghasemi, M. Kučeráková
    Computer-Aided Investigation of Anticancer Properties of New Mixed-Ligand Cu (II) Complexes of an Unsymmetrical Schiff Base Ligand by ADMET and Molecular Docking: Comparison With Chemical Drugs and Curcumin
    Applied Organometallic Chemistry 39 (2025) e7918(1)-e7918(17).
  6. S. Ramesh, E. Zmeškalová, M. Kučeráková, V. Zvoníček & M. Šoóš
    Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect
    CrystEngComm 27 (2025) 1026-1033.
  7. T. Havlůjová, E. Hriňová, E. Zmeškalová, M. Kučeráková, L. Ridvan & M. Šoóš
    Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance
    CrystEngComm 27 (2025) 1816-1829.
  8. 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.
  9. H. Stoeckli-Evans, M.G. Shankar, R. Kumaravel, A. Subashini, T. Sabari Girisun, K. Ramamurthi, M. Kučeráková, M. Dušek & A. Crochet
    Di-μ3-chlorido-1:2:3κ3Cl;2:3:4κ3Cl-di-μ3-chlorido-1:2κ2Cl;3:4κ2Cl-tetrakis[(4-amino-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one-κ2N4,O)-chloridocadmium(II)...
    Acta Crystallographica Section E 81 (2025) 393-400.
  10. A. Nasirpour, Z. Ghasemi, S.A. Hosseini-Yazdi, M. Kučeráková
    N-(Pyridin-2-yl)Amide-Directed, Copper-Mediated Cyanatation of Arene C-H Bonds: A New Approach for the Synthesis of 3-(Pyridin-2-yl)Quinazoline-2,4(1H,3H)-Diones
    Journal of Heterocyclic Chemistry 62 (2025) 430-435.
  11. A. Jana, V. Yadav, M. Kučeráková, S. Malola, A.R. Kini, S. Acharya, A.K. Poonia, J. Macháček, K.N.V. Devi Adarsh, H. Häkkinen, T. Base & T. Pradeep
    [Ag62S12(CBT)32]4+: A 2.2 nm Two-Electron Superatomic Carborane-Thiolated Silver Nanocluster Exhibiting Multilayer Charge Separation
    ACS Nano 19 (2025) 35015-35026.
  12. Z. Roxerová, V. Kusbach, M. Machek, M. Kučeráková, S. Vratislav, A. Vávrová & M. Chadima
    Effect of Deformation Mechanisms on Magnetic Record in Marble Shear Zones
    Geochemistry, Geophysics, Geosystems 26 (2025) e2025GC012456(1)-e2025GC012456(18).
  13. 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.
  14. A.M. Amirian, Z. Asadi, M. Kučeráková, V. Eigner, M. Dušek & B. Rastegari
    Bio-interactions, biomimetic activity and anticancer investigation of Cu(II) and Co(II) “end-off” homo-dinuclear complexes
    Journal of Molecular Liquids 410 (2024) 125669(1)-125669(19).
  15. N. Jamgohari, H. Mansouri-Torshizi, E. Dehghanian, S. Shahraki, M. Kučeráková
    Synthesis, crystal structure, cytotoxicity, in-detail experimental and computational CT-DNA interaction studies of 2-picolinate Pd(II) and Pt(II) complexes
    Journal of Biomolecular Structure & Dynamics 42(17) (2024) 8937-8957.
  16. S. Taheri, Z. Asadi, Z.M. Jahromi, M. Kučeráková, M. Dušek & B. Rastegari
    DNA and bovine serum albumin protein (BSA) interaction of antitumor supramolecular nickel(II) complex: Inference for drug design
    Journal of Industrial and Engineering Chemistry 140 (2024) 225-236.
  17. L. Ghasemi, A. Abedi, A. Abbasi, M. Kučeráková, M. Dušek & M. Behzad
    Subtle structural variations in new mixed-ligand Cu(II) complexes with NN’O type unsymmetrical Schiff bases: Molecular docking against SARS-Cov-2 and its Omicron variant main proteases
    Inorganic Chemistry Communications 159 (2024) 111795(1)-111795(9).
  18. 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).
  19. J. Bould, M. Ehn, O. Tok, D. Bavol, M. Kučeráková, W. Clegg, M. Litecká, K. Lang, K. Kirakci & M.G.S. Londesborough
    Expanding Luminescence Horizons in Macropolyhedral Heteroboranes
    Angewandte Chemie International Edition 2024 (2024) e202401872(1)-e202401872(8).
  20. Z.M. Jahromi, Z. Asadi, M. Kučeráková, M. Dušek & B. Rastegari
    Studying the structure, BSA and FS-DNA interaction, fluorescence sensing of anions, cytotoxicity, and catecholase activity of Cu(II) and Zn(II) Schiff base complexes
    Journal of Molecular Structure 1309 (2024) 138173(1)-138173(11).
  21. T. Kohanfekr, M. Hakimi, H.A. Hosseini, M. Kučeráková
    Synthesis, Crystal Structure and Spectral Characterization of a New Caesium–Sodium‑Isopolyvanadate: Photodegradation of Methylene Blue Dye
    Journal of Chemical Crystallography 54 (2024) 132-139.
  22. P. Dehghan, M. Tabatabaee, S. Morteza Seifati, M. Kučeráková
    Synthesis and characterization of a cobalt(II) complex with 5-amino-1-tosyl-1h-1,2,4-triazole as a sulfonamide ligand: antibacterial and molecular docking studies
    Journal of Coordination Chemistry 77(20-21) (2024) 2472-2486.
  23. 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.
  24. A. Neshat, M. Cheraghi, M. Kučeráková, M. Dušek & A.M. Mobarakeh
    A Cu(II) complex based on a Schiff base ligand derived from Ortho-vanillin: Synthesis, DFT analysis and catalytic activities
    Journal of Molecular Structure 1274 (2023) 134545(1)-134545(10).
  25. A. Jana, M. Jash, W.A. Dar, J. Roy, P. Chakraborty, G. Paramasivam, S. Lebedkin, K. Kirakci, S. Manna, S. Antharjanam, J. Macháček, M. Kučeráková, S. Ghosh, K. Lang, M.M. Kappes, T. Base & T. Pradeep
    Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence
    Chemical Science 14 (2023) 1613-1626.
  26. M.G. Shankar, R. Kumaravel, A. Subashini, K. Ramamurthi, M. Kučeráková, M. Dušek & H. Stoeckli-Evans
    Syntheses, crystal structures, Hirshfeld surface analyses and energy frameworks of two 4-aminoantipyrine Schiff base compounds: (E)-4-{[4-(diethylamino) benzylidene]amino}-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one and (E)-4-[(4-fluorobenzylidene)ami...
    Acta Crystallographica Section E 79 (2023) 538-544.
  27. A. Neshat, A. Mahdavi, M.R. Yousefshahi, M. Cheraghi, A.M. Mobarakeh, S. Mohammadi, V. Eigner, M. Kučeráková, M. Dušek & B. Kaboudin
    Homobimetallic Au(I)−Au(I) and Heterotrimetallic Au(I)−Fe(II)−Au(I) Complexes with Dialkyldithiophosphates and Phosphine Ligands: Structural Characterization, DFT Analysis, and Tyrosinase Inhibitory and Biological Effects
    ACS Omega 8 (2023) 20423-20439.
  28. 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.
  29. E. Keshavarzian, Z. Asadi, M. Kučeráková, M. Dušek, B. Rastegari
    DNA interaction and BSA binding of O-vanillin-based new Schiff base Co(III) and Ni(II) complexes: Theoretical, experimental, antibacterial and anticancer studies
    Polyhedron 223 (2022) 115987(1)-115987(14).
  30. V. Mirdarvatan, B. Bahramian, A.D. Khalaji, T. Václavů, M. Kučeráková
    Nanoarchitectonics of Octahedral Co3O4/Chitosan Composite for Photo‑Catalytic Degradation of Methylene Blue and Anti‑Bacterial Activity
    Journal of Inorganic and Organometallic Polymers and Materials 32 (2022) 4014-4027.
  31. E. Keshavarzian, Z. Asadi, M. Kučeráková, M. Dušek & B. Rastegari
    Collaboration between 3d-4f metal centers of heterodimetallic Ni(II)-Gd (III) complex in catecholase activity and interaction with FS-DNA & BSA
    Polyhedron 218 (2022) 115758(1)-115758(14).
  32. J. Fábry, M. Kučeráková, M. Dušek, E. Buixaderas, J. Hlinka
    Structure of the high-temperature phase of caesium nitrate – the importance of high-resolution data
    Acta Crystallographica Section B 78 (2022) 140-152.
  33. F.D. Mendi, A.Sh. Saljooghi, M. Ramezani, R. Kruszynski, M. Poupon, M. Kučeráková, V. Huch, P. Socha, M. Babaei & M. Alibolandi
    Five new complexes with deferiprone and N,N-donor ligands: evaluation of cytotoxicity against breast cancer MCF-7 cell line and HSA-binding determination
    Journal of Biomolecular Structure & Dynamics 39(13) (2021) 4845-4858.
  34. F. Aghvami, A. Ghaffari, M. Kučeráková, M. Dušek, R. Karimi-Nami, M. Amini & M. Behzad
    Catalytic oxidation of organic sulfides by new iron-chloro Schiff base complexes: The effect of methoxy substitution and ligand isomerism on the electronic, electrochemical and catalytic performance of the complexes
    Polyhedron 200 (2021) 115135(1)-115135(8).
  35. M. Kučeráková, J. Rohlíček, S. Vratislav, D. Nikolayev, T. Lychagina, L. Kalvoda & K. Douda
    Texture Study of Sinanodonta Woodiana Shells by X-Ray Diffraction
    Journal of Surface Investigation-X-Ray Synchrotron and Neutron Techniques 15(3) (2021) 640-643.
  36. M. Kučeráková, J. Rohlíček, S. Vratislav, M. Jarošová, L. Kalvoda, D. Nikolayev, T. Lychagina & K. Douda
    Texture of the Freshwater Shells from the Unionidae Family Collected in the Czech Republic Investigated by X-ray and Neutron Diffraction
    Crystals 11 (2021) 1483(1)-1483(8).
  37. A.D. Khalaji, E. Shahsavani, M. Dušek, M. Kučeráková, V. Eigner
    Synthesis, Characterization, and Crystal Structures of a Thiosemicarbazone Ligand and Its Silver(I) Complex
    Iranian Journal of Chemistry and Chemical Engineering 39(4) (2020) 23-28.
  38. F. Hajishaabanha, S. Shaabani, A. Shaabani, M.H. Sangachin, M. Dušek, M. Kučeráková
    Synthesis of imidazolium zwitterions via an efficient one pot three component synthetic protocol
    Journal of the Iranian Chemical Society 17 (2020) 513-519.
  39. M.H. Esfahani, M. Behzad, M. Dušek, M. Kučeráková
    Synthesis and characterization of a series of acylpyrazolone transition metal complexes: Crystal structures and catalytic performance in the epoxidation of cyclooctene
    Inorganica Chimica Acta 508 (2020) 119637(1)-119637(7).
  40. S. Farhadi, F. Mahmoudi, M. Kučeráková, J. Rohlíček, M. Dušek
    New hybrid nanostructures based on keggin-type 12-tungstophosphate and some metal-semicarbazone complexes: Synthesis, x-ray crystal structures and spectroscopic studies
    Journal of Molecular Structure 1217 (2020) 128385(1)-128385(13).
  41. D.P. Goronzy, J. Staněk, E. Avery, H. Guo, Z. Bastl, M. Dušek, N.M. Gallup, S. Gün, M. Kučeráková, B.J. Levandowski, J. Macháček, V. Šícha, J.C. Thomas, A. Yavuz, K.N. Houk, M.F. Danısman, E. Mete, A.N. Alexandrova, T. Baše, P.S. Weiss
    Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m‑Carboranethiolate Self-Assembled Monolayers
    Chemistry of Materials 32 (2020) 6800-6809.
  42. S. Saheli, A.R. Rezvani, Z. Yavari, M. Kučeráková
    New Pd/Co–Ni electrocatalysts for formic acid electrooxidation and their fabrication from inorganic precursor [Co0.14Ni..1.86(dipic)2(phen)2(H2O)2]·4H2O
    Dalton Transactions 49 (2020) 15864(1)-15873.
  43. A.D. Khalaji, S.J. Peyghoun, M. Dušek, M. Kučeráková, V. Eigner, A. Akbari, N. Feizi
    Crystal structures of the bis-bidentate N2S2 Schiff base ligand and its copper(I) coordination polymer
    Macedonian Journal of Chemistry and Chemical Engineering 38 (2019) 207-2014.
  44. A.D. Khalaji, E. Shahsavani, M. Dušek, M. Kučeráková
    Sonochemical synthesis and characterization of nano-sized copper(I) thiosemicarbazone complex: crystal structure and thermal study
    Journal of the Iranian Chemical Society 16 (2019) 1179-1187.
  45. M. Hakimi, F. Sadeghi, N. Feizi, K. Moeini, M. Kučeráková, M. Dušek
    Investigation of the effect of the N-oxidation process on the interaction of selected pyridine compounds with biomacromolecules: structural, spectral, theoretical and docking studies
    Acta Crystallographica Section C 75 (2019) 750-757.
  46. A. Addala, M. Poupon, S. Bernès, G.S. Kürkçüoglu, X. Liu, F. Lehchili, M. Kučeráková, M. Dušek, F. Setifi, Z. Setifi, J. Reedijk
    Synthesis, structure and luminescence properties of zinc and cadmium linear-chain compounds with anionic monoalkoxy-tetracyanopropenes bridged by 4,4´-bipyridines
    Polyhedron 170 (2019) 271-277.
  47. G. Ahadiat, M. Tabatabaee, K. Gholivand, K. Zare, M. Dušek, M. Kučeráková
    Electrochemical behavior and conversion to Fe2O3 nano particles of a neutral seven coordinated iron(III) complex with dipicolinic acid
    Inorganic and Nano-Metal Chemistry 49, 1 (2019) 17-22.
  48. S. Shaabani, A. Shaabani, M. Kučeráková, M. Dušek
    A One-Pot Synthesis of Oxazepine-Quinazolinone bis-Heterocyclic Scaffolds via Isocyanide-Based Three-Component Reactions
    Frontiers in Chemistry 7 (2019) 623(1)-623(7).
  49. Z. Drozd, Z. Trojanová, P. Lukáč, M. Kučeráková, T. Václavů
    Mechanical and physical properties of selected magnesium base nanocomposites
    IOP Conference Series: Materials Science and Engineering 372 (2018) 012004(1)-012004(7).
  50. M. Hakimi, B. Tarani, Z. Mardani, K. Moeini, M. Kučeráková, M. Dušek
    Spectral, structural, theoretical and docking studies of a Mn(II) complex with an N4-donor ligand
    Journal of Chemical Research 42 (2018) 623-627.