1. 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).
  2. 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).
  3. S. Yang, M. Deng, R.A. Daley, A. Daru, W.J. Wolf, D.T. George, S. Ma, B.K. Werley, E. Samoľová, J.B. Bailey, M. Gembický, J. Marshall, S.R. Wisniewski, D.G. Blackmond & K.M. Engle
    Palladium Bisphosphine Monoxide Complexes: Synthesis, Scope, Mechanism, and Catalytic Relevance
    Journal of the American Chemical Society 147 (2025) 409-425.
  4. H. Chang, L. Chen, E. Samoľová, Y. Pan, K.A. Acosta, C.E. Lemmon, M. Gembicky, F. Paesani & A.M. Schimpf
    Electroreduction-Driven Formation and Connectivity of Polyoxometalate Coordination Networks
    Inorganic Chemistry 64 (2025) 1630-1636.
  5. 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.
  6. M.R. Yousefshahi, A. Neshat, E. Tahmasebi, V. Eigner, M. Dušek & F. Osanlou
    Generation of high nuclearity silver(I) and gold(I) species using simple N-heterocyclic carbene complexes
    New Journal of Chemistry 49 (2025) 3328-3333.
  7. C.E. Olsen, S. Simonsen, S. Reddy Merugu, V. Eigner, F.L. Aachmann, B.B. Kragelund, E. Sundby & B.H. Hoff
    Synthesis and evaluation of fluorinated tetrahydrocarbazoles as probes in NMR based binding assay of the E. coli β sliding clamp
    Bioorganic & Medicinal Chemistry 122 (2025) 118139(1)-118139(14).
  8. 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.
  9. U.D. Wdowik, M. Vališka, A. Cabala, F. Borodavka, E. Samoľová, D. Legut
    Raman spectroscopy and pressure-induced structural phase transition in UTe2
    Frontiers of Physics 20 (2025) 014204(1)-014204(12).
  10. R. Meena, P. Pandey, C. Zuffa, P. Brázda, E. Samoľová, N. McIntosh, M. Volpi, F. Modesti, C. Gatsios, N. Turetta, L. Catalano, W. Choi, S. Seki, J. Cornil, P. Erk, N. Koch, P. Samorì, L. Maini, G. Schweicher & Y. Geerts
    Crystal Engineering in Oligorylenes: The Quest for Optimized Crystal Packing and Enhanced Charge Transport
    Crystal Growth & Design 25 (2025) 3087-3099.
  11. R. Smolková, L. Smolko, E. Samoľová, I. Morgan, R. Rennert & G.N. Kaluderovič
    Novel Zn(II), Co(II) and Cu(II) diflunisalato complexes with neocuproine and their exceptional antiproliferative activity against cancer cell lines
    Dalton Transactions 53 (2024) 17595-17607.
  12. 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.
  13. 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.
  14. V. Elumalai, V. Eigner, T. Visnes, E. Sundby & B.H. Hoff
    Improved Synthetic Methodology, Substrate Scope and Xray Crystal Structure for N, N’-disubstituted Guanidines
    Chemistry Select 9 (2024) e202304381(1)-e202304381(8).
  15. 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.
  16. E. Samoľová
    Single crystal structure features of a new Cu (II) coordination polymer as an efficient homogeneous catalyst in the selective conversion of sulfides
    Journal of Molecular Structure 1305 (2024) 137732(1)-137732(11).
  17. I. Potočňák, O. Bukrynov, A. Kliuikov, M. Holub, S. Vitushkina, E. Samoľová, E. Čižmár & L. Váhovská
    Influence of the phonon-bottleneck effect and low-energy vibrational modes on the slow spin-phonon relaxation in Kramers-ions-based Cu(II) and Co(II) complexes with 4-amino-3,5-bis-(pyridin-2-yl)-1,2,4-triazole and dicyanamide
    Dalton Transactions 53 (2024) 6950-6964.
  18. T. Bridová, C. Rajnák, J. Titiš, E. Samoľová, K. Tran, O. Malina, A. Bienko, F. Renz, M. Gembický & R. Boča
    A mononuclear Fe(III) complex showing thermally induced spin crossover and slow magnetic relaxation with reciprocating thermal behaviour
    Dalton Transactions 53 (2024) 10824-10828.
  19. 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.
  20. V. Elumalai, V. Eigner, N.A. Janjua, P.-O. Åstrand, T. Visnes, E. Sundby & B.H. Hoff
    X-ray Structure of Eleven New N,N′-Substituted Guanidines: Effect of Substituents on Tautomer Structure in the Solid State
    Crystals 14 (2024) 884(1)-884(14).
  21. M. Akouibaa, B. El Bali, M. Poupon, R. Ouarsal, M. Lachkar, J. More‑Chevalier, V. Eigner, M. Dušek. M.D. Symes, Z. Ertekin
    Catalytic performance on the water decontamination and the water‑splitting electrolysis of new phosphite salts (enH2)[M(H2O)6](HPO3)2 (M=Co, Ni and Mg)
    Journal of Applied Electrochemistry 54 (2024) 2293-2310.
  22. 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.
  23. 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.
  24. 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).
  25. 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).
  26. 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).
  27. M. Harmošová, M. Vilková, M. Kello, D. Šebová, E. Samoľová, M. Litecká & I. Potočňák
    Low-dimensional compounds containing bioactive ligands. Part XXIII: A comprehensive study of the preparation and cytotoxic activities of zirconium(IV) complexes with 8-hydroxyquinoline and its derivatives
    Polyhedron 249 (2024) 116794(1)-116794(16).
  28. 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).
  29. O. Matselko, M. Poupon, E. Samoľová, Z. Vasková, B. Kubíková, Z. Netriová, M. Mičušík & M. Boča
    Complexity of the KNa2ZrF7, KNa2HfF7, and KNa2(Hf,Zr)F7 compounds
    Journal of Solid State Chemistry 334 (2024) 124655(1)-124655(11).
  30. 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).
  31. 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).
  32. 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).
  33. R. Smolková, L. Smolko, E. Samoľová
    Pentacoordinate Mixed-Ligand Zn(II) Complexes with Flufenamato and Niflumato Ligands: Crystal Structure, Spectral Characterization and Biological Properties
    Crystals 13 (2023) 1460(1)-1460(18).
  34. 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.
  35. S. Ramesh, E. Skořepová, V. Eigner, V. Chelod Paingad, V. Zvoníček, P. Kužel & M. Šoóš
    Structurally Unique Salts of Cyamemazine and Their Pharmaceutical Implications
    Crystal Growth & Design 23 (2023) 168-179.
  36. 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.
  37. M. Harmošová, M. Vilková, M. Kello, L. Smolko, E. Samoľová, D. Šebová & I. Potočňák
    Low-dimensional compounds containing bioactive ligands. XXII. First crystal structure, cytotoxic activity and DNA and HSA binding of a zirconium(IV) complex with 8-hydroxyquinoline-2-carboxylic acid
    Acta Crystallographica Section C 79 (2023) 316-323.
  38. S. Saheli, A.R. Rezvani, Z. Yavari, V. Eigner
    Using inorganic precursors for producing electrocatalysts for formic acid electrooxidation
    Inorganic Chemistry Communications 153 (2023) 110780(1)-110780(10).
  39. 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.
  40. J. Gettler, T. Čarný, M. Markovič, P. Koóš, E. Samoľová, J. Moncol & T. Gracza
    Synthetic Study of Natural Metabolites Containing a Benzo[c]oxepine Skeleton: Heterocornol C and D
    International Journal of Molecular Sciences 24 (2023) 10331(1)-10331(9).
  41. Z. Klepcová, I. Špaková, C.T. Madreiter-Sokolowski, W. Graier, K. Kalinová, E. Samoľová, R. Smolková, L. Smolko & M. Rabajdová
    Investigation of novel Mn(II) fenamato complexes with neocuproine and their effects on endometrial cell lines
    New Journal of Chemistry 47 (2023) 13088-13097.
  42. M. Harmošová, M. Kello, M. Goga, L. Tkáčiková, M. Vilková, D. Sabolová, S. Sovová, E. Samoľová, M. Litecká, V. Kuchárová, J. Kuchár & I. Potočňák
    Low-Dimensional Compounds Containing Bioactive Ligands. Part XX: Crystal Structures, Cytotoxic, Antimicrobial Activities and DNA/BSA Binding of Oligonuclear Zinc Complexes with Halogen Derivatives of 8-Hydroxyquinoline
    Inorganics 11 (2023) 60(1)-60(24).
  43. R. Mičová, C. Rajnák, J. Titiš, E. Samoľová, M. Zalibera, A. Bienko & R. Boča
    Slow magnetic relaxation in two mononuclear Mn(II) complexes not governed by the over-barrier Orbach process
    Chemical Communications 59 (2023) 2612-2615.
  44. E. Keshavarzian, Z. Asadi, V. Eigner, M. Dušek & B. Rastegari
    DNA interactions, docking and in vitro cytotoxicity studies of [M(Hvalmea)2] complexes (M = CuII, CoIII)
    Journal of Molecular Liquids 380 (2023) 121701(1)-121701(11).
  45. F. Mohammadlou, H. Mansouri-Torshizi, E. Dehghanian, M. Eslami-Moghadam, V. Eigner
    A new zinc(II) complex of 2-benzoimidazoledisulfide ligand: synthesis, X-ray crystallographic structure, investigation of CT-DNA and BSA interaction by spectroscopic techniques and molecular docking
    Journal of Photochemistry and Photobiology A-Chemistry 443 (2023) 114830(1)-114830(15).
  46. 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.
  47. 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.
  48. E. Movahedi, H. Razmazma, A. Rezvani, A. Nowroozi, A. Ebrahimi, V. Eigner, M. Dušek & F. Arjmand
    A novel Cu(II)-based DNA-intercalating agent: Structural and biological insights using biophysical and in silico techniques
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 293 (2023) 122438(1)-122438(16).
  49. M. Garberová, I. Potočňák, M. Tvrdoňová, M. Bago-Pilátová, S. Bekešová, Z. Kudličková, E. Samoľová, A. Kešeláková, J. Elečko & M. Vilková
    Spectral, structural, and pharmacological studies of perillaldehyde and myrtenal based benzohydrazides
    Journal of Molecular Structure 1271 (2023) 134112(1)-134112(14).
  50. Y. Abbasi Tyula, H. Goudarziafshar, S. Yousefi, V. Eigner
    Template synthesis, characterization and antibacterial activity of d10 (Zn2+, Cd2+, Hg2+) Schiff base complexes: A novel supramolecular Cd2+ complex with two 1D helical chains, and its Hirshfeld ...
    Journal of Molecular Structure 1272 (2023) 134051(1)-134051(10).