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Supporting information for: "Nortriptyline Hydrochloride Solubility-pH Profiles in a Saline Phosphate Buffer: Drug-Phosphate Complexes and Multiple pHmax Domains with a Gibbs Phase Rule “Soft” Constraints"
(American Chemical Society (ACS), 2022)
Additional experimental details; preparation of stock suspensions for low-to-high pH and high-to-low pH titrations; titration and solubility data for titration sets 1–11; elemental analysis data from titration sets 9, 3, ...
Supporting information for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives"
(Switzerland : Wiley-Blackwell, 2021)
Experimental Section: 1.1. Chemicals. 1.2. Compounds. 1.3. Evaluation of deoxyribonuclease I inhibition. 1.4. In silico molecular and ADMET properties. 1.5. In silico PAINS and promiscuity assessment. 1.6. Molecular docking. ...
Supporting information for: "Synthesis, X-ray structures and magnetic properties of Ni(II) complexes of heteroaromatic hydrazone"
(Elsevier, 2020)
Table S1. Structural and magnetic parameters of related bis(μ-1,1-azido) bridged Ni(II) complexes. Table S2. Hydrogen-bond parameters for complex 1a. Table S3. Hydrogen-bond parameters for complex 1b. Figure S1. Crystal ...
Supplementary information for: "Excited States of Pt(PF3)(4) and Their Role in Focused Electron Beam Nanofabrication"
(American Chemical Society (ACS), 2016)
Additional results: (1) Test of the performance of theoretical methods on the known properties of Pt(PF3)4; (2) bonding analysis; (3) tables containing energies, oscillator strengths, and compositions of the excited states ...
CCDC 2009328: Experimental Crystal Structure Determination. Crystallographic data for "Synthesis, X-Ray Structures and Magnetic Properties of Ni(II) Complexes of Heteroaromatic Hydrazone"
(The Cambridge Crystallographic Data Centre (CCDC), 2020)
CUTBUR : bis(μ-azido-N1,N1)-diazido-bis(2-oxido-N,N,N-trimethyl-2-((1-(1,3-thiazol-2-yl)ethylidene)hydrazinylidene)ethan-1-aminium)-di-nickel tetrahydrate Space Group: P 21/c (14), Cell: a 13.2446(7)Å b 11.0402(6)Å c ...
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.
Supplementary material for: "Optimisation of isolation procedure for pyrrolizidine alkaloids from Rindera umbellata Bunge"
(Taylor & Francis, 2015)
Experimental details relating to the article: Mandić, B., Vlajic, M. D., Trifunović, S., Simić, M. R., Vujisić, L. V., Vučković, I., Novaković, M., Nikolic-Mandic, S. D., Tešević, V., Vajs, V.,& Milosavljević, S. (2015). ...
Supplementary material for: "Simple avarone mimetics as selective agents against multidrug resistant cancer cells"
(Elsevier France-Editions Scientifiques Medicales Elsevier, Paris, 2016)
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. ...
Supporting data for: "Deoxyribonuclease I Inhibitory Properties, Molecular Docking and Molecular Dynamics Simulations of 1-(Pyrrolidin-2-yl)propan-2-one Derivatives". Animation of molecular dynamics simulations II.
(Switzerland : Wiley-Blackwell, 2021)
Animation of molecular dynamics simulations: 1‐[1‐(3,4,5‐trimethoxyphenyl)pyrrolidin‐2‐yl]propan‐2‐one / DNase I
Supplementary material for: "Secondary metabolites from endemic species Iris adriatica Trinajstic ex Mitic (Iridaceae)"
(Taylor and Francis, 2018)
Experimental data: Plant material; Extract preparation; Extract separation; General. Table S1. Silica gel column separation program. Isolation. Figure S1. The main HMBC correlations in both types of Iris adriatica isofavonoids; ...