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Supporting Information for: "Coordination and redox interactions of β-lactam antibiotics with Cu2+ in physiological settings and the impact on antibacterial activity"
(Elsevier, 2018)
Figure S1. Speciation diagrams of Cu2+ in the phosphate buffer. Diagrams were prepared in Hydra-Medusa Software, using the presented parameters.
Supporting information for: "Cycloaddition Reactions of Azomethine Ylides and 1,3-Dienes on the C-2v-Symmetrical Pentakisadduct of C-60"
(American Chemical Society (ACS), 2018)
General information and optimization of reaction conditions, detailed characterization of products 8–15, including their NMR and mass spectra, and computational results (Figures S1–S20 and Table S1)
Supporting Information I for: "New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model"
(American Chemical Society (ACS), 2018)
Inhibitory activities against BoNT/A LC and holotoxin in proteolytic and cell-based assay for all tested compounds; fluorescence and UV–vis spectra for determination of 16 binding to HSA and AGP; ligand interaction diagrams, ...
Supporting Information III for: "New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model"
(American Chemical Society (ACS), 2018)
Molecular formula strings (smiles) and additional data: In vitro proteolytic assay % inh BoNT/A LC at 20 uM; In vitro proteolytic assay IC50 (uM); mES-MNs pre intoxication % of full length SNAP-25 (10 uM; 20 uM); mES-MNs ...
Supplementary information for: "Dissociative electron attachment and electronic excitation in Fe(CO)(5)"
(Royal Soc Chemistry, Cambridge, 2018)
Geometry of Fe(CO)5 (xyz coordinates); Excited states: Spin and dipole allowed transitions; Spin allowed, dipole forbidden transitions; Singlet-triplet transitions.
Supporting Information II for: "New Steroidal 4-Aminoquinolines Antagonize Botulinum Neurotoxin Serotype A in Mouse Embryonic Stem Cell Derived Motor Neurons in Postintoxication Model"
(American Chemical Society (ACS), 2018)
NMR spectra and HPLC purity spectra of all tested compounds
Supplementary Material for: "Mono BN-substituted analogues of naphthalene: a theoretical analysis of the effect of BN position on stability, aromaticity and frontier orbital energies"
(Royal Society for Chemistry, 2018)
All isomeric BN isosteres of naphthalene have been studied theoretically, at the B3LYP/6-311+G(d,p) level, in order to investigate the effect of the BN position in a molecule on relative stability, aromaticity and frontier ...
Supporting information for: "Analysis of Stability and (Anti)aromaticity of BN-Dibenzo[a,e]pentalenes"
(Wiley, 2018)
Table S1. Experimental and calculated bond lengths and bond angles for 1,4 isomer of BN-dibenzopentalene; Table S2. Spin densities in diradical state of 1,3 isomer of BN-dibenzopentalene obtained by Hirshfeld population ...
Supplementary material for: "Kinetic modeling and optimization of sunflower oil methanolysis catalyzed by spherically-shaped CaO/gamma-Al2O3 catalyst"
(Elsevier, 2018)
Supplementary material for: Marinković, D., Miladinovic, M. R., Avramović, J. M., Krstic, I. B., Stanković, M., Stamenković, O., Jovanović, D. M.,& Veljković, V. B. (2018). Kinetic modeling and optimization of sunflower ...
Supplementary Information for: "Novel 1,3,4-thiadiazole-chalcone hybrids containing catechol moiety: synthesis, antioxidant activity, cytotoxicity and DNA interaction studies"
(Royal Society of Chemistry, Cambridge, 2018)
Copies of 1H and 13C NMR spectra for 5a-m