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Supporting information for: "Antimicrobial Activity of Thiocarbohydrazones: Experimental Studies and Alignment-Independent 3D QSAR Models"
(Wiley, 2018)
Table S1. Statistics of the PCA model generated after 2 FFD cycle. Table S2. Statistics of 3LV PLS model applying different CV procedures. Table S3. Statistics of the PCA model generated after 2 FFD cycle. Table S4. ...
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, ...
Supplementary information for: "Binding of metal ions and water molecules to nucleic acid bases: The influence of water molecule coordination to a metal ion on water–nucleic acid base hydrogen bonds"
(International Union of Crystallography, 2019)
Figure S1. Distance distribution for hydrogen bonds with coordinated and noncoordinated water, separately for different nucleic bases and positions; Table S1. The calculated interaction energies and distances between five ...
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.
Supplementary information for: "Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn-IV Complexes: A Combined Experimental and Theoretical Investigation"
(American Chemical Society (ACS), 2016)
Additional EPR spectra and computational details. Cartesian coordinates of all structures reoriented in a standard way, as explained in the main text.
Supplementary materials for the article: Radovanović, F., Nastasović, A., Tomković, T., Vasiljević-Radović, D., Nešić, A., Veličković, S., Onjia, A., 2014. Novel membrane adsorbers incorporating functionalized polyglycidyl methacrylate. Reactive and Functional Polymers 77, 1–10. https://doi.org/10.1016/j.reactfunctpolym.2014.01.007
(Elsevier, Amsterdam, 2014)
Asymmetric polyethersulfone membranes with submicron particles comprising crosslinked glycidyl methacrylate copolymer were prepared by a combination of a traditional immersion precipitation process for making membranes ...
CCDC 1917723: Experimental Crystal Structure Determination. Crystalographic data for "What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HOSCUQ : bis(μ-chloro)-bis(N-[1-(pyridin-2-yl)ethylidene]-2-(trimethylazaniumyl)ethanehydrazonate)-di-copper(iii) bis(tetrafluoroborate) Space Group: P 21/n (14), Cell: a 7.2915(3)Å b 28.1816(13)Å c 8.9402(5)Å, α 90° β ...
CCDC 1917721: Experimental Crystal Structure Determination. Crystalographic data for "What Is the Nature of Interactions of BF4–, NO3–, and ClO4– to Cu(II) Complexes with Girard’s T Hydrazine? When Can Binuclear Complexes Be Formed?"
(The Cambridge Crystallographic Data Centre (CCDC), 2019)
HOSCIE : (N-[1-(pyridin-2-yl)ethylidene]-2-(trimethylazaniumyl)ethanehydrazonate)-chloro-tetrafluoroborato-copper(ii) Space Group: P 21/c (14), Cell: a 9.9440(4)Å b 9.3620(4)Å c 18.5299(7)Å, α 90° β 95.626(3)° γ 90°
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