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Start Over Author "Król-Górniak A" Publisher elsevier bv
9 results on '"Król-Górniak A"'

6. Zinc Interactions with Protein - a Lysozyme Model

Author

Rogowska, Agnieszka, primary, Król-Górniak, Anna, additional, Kanawati, Basem, additional, Michalke, Bernhard, additional, Schmitt-Kopplin, Philippe, additional, Sugajski, Mateusz, additional, Pomastowski, Paweł, additional, and Buszewski, Bogusław, additional

Published
2022
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9. Interactions of zinc aqua complexes with ovalbumin at the forefront of the Zn2+/ZnO-OVO hybrid complex formation mechanism

Author

Myroslav Sprynskyy, Myunggi Yi, Agnieszka Rodzik, Viorica Railean-Plugaru, Petar Žuvela, Anna Król-Górniak, Ming Wah Wong, Agnieszka Rogowska, Paweł Pomastowski, and Bogusław Buszewski

Subjects
inorganic chemicals, Kinetics, General Physics and Astronomy, Infrared spectroscopy, chemistry.chemical_element, 02 engineering and technology, Surfaces and Interfaces, General Chemistry, Zinc, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, chemistry.chemical_compound, Crystallography, Monomer, Adsorption, chemistry, biological sciences, Monolayer, Density functional theory, Fourier transform infrared spectroscopy, 0210 nano-technology
Abstract

The present research is focused on experimental and computational mechanistic study of the nanocomplexes formation through Zn2+(aq)-ovalbumin (OVA) binding. The determination of processes occurring at Zn2+(aq)-OVA interfaces and mechanism of hybrid complexes formation involved the modeling of kinetics and isotherm of Zn2+(aq) binding. Scanning electron microscopy, energy-dispersive X-ray analysis and X-ray diffraction were employed to characterize the nano-crystalline structure and morphology of the Zn2+/ZnO-OVO hybrid complex. Formation of hybrid complex was monitored using Fourier transform infrared spectroscopy. Specific Zn2+(aq) binding sites were pointed using MD simulations. Large-scale MD analysis was carried out to sample conformational space of the formed Zn2+(aq)-OVA complexes. Density functional theory (DFT) calculations were used to investigate the structures of the interaction complexes between zinc(II) and Asp−/Glu− and predict their respective IR spectra, and for mechanistic modeling of oxidation processes involved in the formation and stabilization Zn2+/ZnO-OVO hybrid complex. Negatively charged ovalbumin surface was locally neutralized through rapid Zn2+(aq) adsorption and formation of monolayers via 1:1 Asp−/Glu−/-Zn2+(aq) complexes. The ovalbumin monomer species began to agglomerate, stabilized with Asp−/Glu−-Zn2+(aq)-Glu−/Asp− interface complexes that promoted the formation of nanocomplexes. Finally, antimicrobial assays have shown that Zn2+/ZnO-OVO hybrid complex exhibit an inhibition effect against bacteria (A. baumanii, K. pneumonia) and yeast (C. albicans) strains.

Published
2021

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