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Comparison of the EPR spectra of 1 and 2 (Figure S1); additional Mössbauer spectra (Figures S2–S5); Kohn–Sham molecular orbitals with dominant metal d character (Figures S6–S8); calculated principal components of the g-tensor (Table S1); calculated J values (Table S2); transition energies and contributions of the excited states to D and E (Tables S3–S6); d-orbital splitting according to AI-LFT (Table S7); composition of the multideterminant wave function of the ground and selected excited states (Table S8). This is Supplementary information for: Darmanović Darinka, Shcherbakov Igor N., Duboc Carole, Spasojević Vojislav, Hanžel Darko, Anđelković Katarina, Radanović Dušanka, Turel Iztok, Milenković Milica R., Gruden Maja, Čobeljić Božidar, Zlatar Matija, "Combined Experimental and Theoretical Investigation of the Origin of Magnetic Anisotropy in Pentagonal Bipyramidal Isothiocyanato Co(II), Ni(II), and Fe(III) Complexes with Quaternary-Ammonium-Functionalized 2,6-Diacetylpyridine Bisacylhydrazone" 123, no. 51 (2019):31142-31155, [https://dx.doi.org/ 10.1021/acs.jpcc.9b08066 ] The published version of the article: [http://cer.ihtm.bg.ac.rs/handle/123456789/3314] The peer-reviewed version of the article: [http://cer.ihtm.bg.ac.rs/handle/123456789/3269]

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures. Related Article: Božidar Čobeljić, Andrej Pevec, Iztok Turel, Vojislav Spasojević, Miloš Milčić, Dragana Mitić, Dušan Sladić, Katarina Anđelković|2014|Polyhedron|69|77|doi:10.1016/j.poly.2013.11.027

In this work, synthesis of alkylamino and aralkylamino derivatives of sesquiterpene quinone avarone and its model compound tert-butylquinone was described. For all obtained derivatives biological activity was studied. Cytotoxic activity of the synthesized derivatives towards multidrug resistant MDR human non small cell lung carcinoma NCI-H460/R cells, their sensitive counterpart NCI-H460 and human normal keratinocytes (HaCaT) as well as detection of cell death superoxide anion generation were investigated. Antimicrobial activity towards Gram positive and Gram negative bacteria and fungal cultures was determined. The results showed that strong cytotoxic activity toward cancer cells was improved with simple avarone mimetics. Some derivatives were selective towards MDR cancer cells. The most active derivatives induced apoptosis in both cancer cell lines, but not in normal cells. Superoxide production was induced by 2,6-disubstituted compounds in MDR cancer cells and not by less active 2,5-disubstituted compounds and was accompanied by the collapse of the mitochondrial transmembrane potential. Two tert-butylquinone derivatives were particularly selective towards MDR cancer cells. Some tert-butylquinone derivatives exhibited a strong antimicrobial activity. The supplementary material for: Jeremić, M., Pešić, M., Dinić, J., Bankovic, J., Novaković, I., Šegan, D.,& Sladić, D. (2016). Simple avarone mimetics as selective agents against multidrug resistant cancer cells. European Journal of Medicinal Chemistry, 118, 107-120. [https://doi.org/10.1016/j.ejmech.2016.04.011] Published version of the aticle: [https://cer.ihtm.bg.ac.rs/handle/123456789/1862] The peer-reviewed version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/4579]

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures. Related Article: Božidar Čobeljić, Iztok Turel, Andrej Pevec, Zvonko Jagličić, Dušanka Radanović, Katarina Anđelković, Milica R. Milenković|2018|Polyhedron|155|425|doi:10.1016/j.poly.2018.08.070

Related Article: Snežana K. Bjelogrlić, Tamara R. Todorović, Milan Kojić, Milan Senćanski, Milan Nikolić, Aleksandar Višnjevac, Jovana Araškov, Marija Miljković, Christian D. Muller, Nenad R. Filipović|2019|J.Inorg.Biochem.|199|110758|doi:10.1016/j.jinorgbio.2019.110758

Supplementary material for: [https://doi.org/10.2298/JSC180828079C] Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2810]

Related Article: Hana Elshaflu, Tamara R. Todorović, Milan Nikolić, Aleksandar Lolić, Aleksandar Višnjevac, Stefanie Hagenow, José M. Padrón, Alfonso T. García-Sosa, Ivana S. Djordjević, Sonja Grubišić, Holger Stark, Nenad R. Filipović|2018|Frontiers in Chemistry|6|247|doi:10.3389/fchem.2018.00247

HIYYAS : chloro-[2-(oxy)-N,N,N-trimethyl-2-{[1-(pyridin-2-yl)ethylidene]hydrazinylidene}ethan-1-aminiumato]-perchlorato-copper(ii) Space Group: P 21/c (14), Cell: a 9.9406(2)Å b 9.5650(2)Å c 18.8796(5)Å, α 90° β 94.7120(10)° γ 90° Crystallographic data (CCDC 1886534) for the article: Milenković, M. R., Papastavrou, A. T., Radanović, D., Pevec, A., Jagličić, Z., Zlatar, M., Gruden, M., Vougioukalakis, G. C., Turel, I., Anđelković, K.,& Čobeljić, B. (2019). Highly-efficient N-arylation of imidazole catalyzed by Cu(II) complexes with quaternary ammonium-functionalized 2-acetylpyridine acylhydrazone. Polyhedron, Elsevier., 165, 22-30. [https://doi.org/10.1016/j.poly.2019.03.001] Published version of the article: [https://cer.ihtm.bg.ac.rs/handle/123456789/2634] Peer-reviewed manuscript: [http://cer.ihtm.bg.ac.rs/handle/123456789/2632] Supporting information: [https://cer.ihtm.bg.ac.rs/handle/123456789/4472] Related crystallographic data (CCDC 1886535): [https://cer.ihtm.bg.ac.rs/handle/123456789/4474]

Supplementary material for: [https://doi.org/10.2298/JSC160725101V] Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2389]

Supplementary material for: [https://doi.org/10.1016/j.bmc.2015.09.044] Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1997] Related to accepted version: [http://cherry.chem.bg.ac.rs/handle/123456789/3438]