25 research outputs found
Fullerene van der waals Oligomers as electron traps
Density functional theory calculations indicate that van der Waals fullerene dimers and larger oligomers can form interstitial electron traps in which the electrons are even more strongly bound than in isolated fullerene radical anions. The fullerenes behave like super atoms , and the interstitial electron traps represent one-electron intermolecular σ-bonds. Spectroelectrochemical measurements on a bis-fullerene-substituted peptide provide experimental support. The proposed deep electron traps are relevant for all organic electronics applications in which non-covalently linked fullerenes in van der Waals contact with one another serve as n-type semiconductors
Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells
In the current work, we have explored a novel synthetic route towards metalated porphycenes and their use in p-type NiO-based dye-sensitized solar cells. Particular emphasis is placed on the influence that the relative positioning of the anchoring group exerts on the DSSC performance
Supplementary data for article: Lippert, R.; Shubina, T. E.; Vojnovic, S.; Pavic, A.; Veselinovic, J.; Nikodinovic-Runic, J.; Stankovic, N.; Ivanović-Burmazović, I. Redox Behavior and Biological Properties of Ferrocene Bearing Porphyrins. Journal of Inorganic Biochemistry 2017, 171, 76–89. https://doi.org/10.1016/j.jinorgbio.2017.03.002
Supplementary material for: [https://doi.org/10.1016/j.jinorgbio.2017.03.002]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2467
Supplementary data for article: Lippert, R.; Shubina, T. E.; Vojnovic, S.; Pavic, A.; Veselinovic, J.; Nikodinovic-Runic, J.; Stankovic, N.; Ivanović-Burmazović, I. Redox Behavior and Biological Properties of Ferrocene Bearing Porphyrins. Journal of Inorganic Biochemistry 2017, 171, 76–89. https://doi.org/10.1016/j.jinorgbio.2017.03.002
Supplementary material for: [https://doi.org/10.1016/j.jinorgbio.2017.03.002]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/2467
Synthesis and evaluation of new guanidine-thiourea organocatalyst for the nitro-Michael reaction: Theoretical studies on mechanism and enantioselectivity
A new guanidine-thiourea organocatalyst has been developed and applied as bifunctional organocatalyst in the Michael addition reaction of diethyl malonate to trans-β-nitrostyrene. Extensive DFT calculations, including solvent effects and dispersion corrections, as well as ab initio calculations provide a plausible description of the reaction mechanism
Periodic Density Functional Study of CO and OH Adsorption on Pt−Ru Alloy Surfaces: Implications for CO Tolerant Fuel Cell Catalysts
Synthesis and Properties of Arylvinylidene-Bridged Triphenylamines
A series of arylvinylidene-bridged
triphenylamines were efficiently
synthesized through the thionation/Barton–Kellogg olefination
sequence from their corresponding carbonyl precursors. The electrochemical
investigations identified these highly distorted scaffolds as fairly
strong electron donors capable of several reversible oxidation steps
with the first oxidation occurring at a potential comparable to that
of ferrocene for the <i>n</i>-hexyl-substituted diphenylvinylidene-bridged
compound
Redox behavior and biological properties of ferrocene bearing porphyrins
In order to improve antimicrobial effects of previously studied meso-tetrakis(4-ferrocenylphenyl)porphyrin 1, we have modified its structure by replacing two trans-positioned ferrocenylphenyl moieties with methoxy methylene substituted tert-butylphenyl moieties. Newly synthesized 5(4),15(4)-bis-(ferrocenyl)-10(4),20(4)-bis-(tert-butyl)10(2),10(6),20(2),20(6)-tetrakis-(methoxy-methylene)-5,10,15,20-tetraphenylporphyrin 4 was chemically characterized in detail (by NMR, UV/Vis, IR, MALDI-TOF and ESI MS spectrometry, cyclic voltammetry, prediction of the relative lipophilicity as well as computational methods) and its biological effects were studied in terms of its antibacterial and antifungal activity (both with and without photoactivation), cytotoxicity, hemolysis and DNA cleavage. New ferrocene bearing porphyrin 4 has demonstrated a broader antimicrobial spectrum and modified effects on eukaryotic cells compared to 1. This was discussed in terms of its i) increased lipophilicity, while exhibiting.lower toxicity, and ii) the redox potential of a two-electron process that is shifted to lower values, in comparison to ferrocene, thus, entering the physiologically available range and being activated towards redox interactions with biomolecules.Supplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3078
Redox behavior and biological properties of ferrocene bearing porphyrins
In order to improve antimicrobial effects of previously studied meso-tetrakis(4-ferrocenylphenyl)porphyrin 1, we have modified its structure by replacing two trans-positioned ferrocenylphenyl moieties with methoxy methylene substituted tert-butylphenyl moieties. Newly synthesized 5(4),15(4)-bis-(ferrocenyl)-10(4),20(4)-bis-(tert-butyl)10(2),10(6),20(2),20(6)-tetrakis-(methoxy-methylene)-5,10,15,20-tetraphenylporphyrin 4 was chemically characterized in detail (by NMR, UV/Vis, IR, MALDI-TOF and ESI MS spectrometry, cyclic voltammetry, prediction of the relative lipophilicity as well as computational methods) and its biological effects were studied in terms of its antibacterial and antifungal activity (both with and without photoactivation), cytotoxicity, hemolysis and DNA cleavage. New ferrocene bearing porphyrin 4 has demonstrated a broader antimicrobial spectrum and modified effects on eukaryotic cells compared to 1. This was discussed in terms of its i) increased lipophilicity, while exhibiting.lower toxicity, and ii) the redox potential of a two-electron process that is shifted to lower values, in comparison to ferrocene, thus, entering the physiologically available range and being activated towards redox interactions with biomolecules