Coordination behavior of 3-amino-5,5′-dimethylhydantoin towards Ni(II) and Zn(II) ions: Synthesis, spectral characterization and DFT calculations

Georgieva, Stela; Todorov, Petаr; Bezfamilnyi, Artem; Georgiev, Anton

doi:10.1016/j.molstruc.2018.04.064

Cited by 9 publications

(5 citation statements)

References 28 publications

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“…Selecting a suitable solvent is an important point of research when starting a new investigation to eliminate the effect of solvents and get more accurate results. DFT proved to be a powerful tool to study amino acids which is in good agreement with the previous findings [37][38][39][40][41][42][43].…”

Section: Discussionsupporting

confidence: 88%

Molecular modeling analyses for the effect of solvents on amino acids

2019

Biointerface Res Appl Chem

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Influence of solvation with various solvents is a vital issue for several applications of amino acids. Considering the impact of solvents and many other factors is an important point of research to get much more accurate data on their behavior. Hence, molecular modeling calculations were conducted for some amino acids in both cases; gaseous state and under the effect of several solvents; DMSO, acetonitrile, nitromethane, and methanol. DFT was utilized at B3LYP theoretical level and 6-31G(d,p) as a basis set. Geometrical parameters of both amino and carboxyl terminals were studied. Resulting data ascertain that various solvation processes impact the interested parameters that have to be considered for further applications.

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Section: Discussionsupporting

confidence: 88%

Molecular modeling analyses for the effect of solvents on amino acids

2019

Biointerface Res Appl Chem

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“…In addition, the absorption peaks ≈3305 cm ‐1 for hydrophilic groups in GO and GO/HNFM aerogels vanished in the spectrum of HNAs due to the efficient thermal reduction. [ 20 ] The relevant X‐ray photoelectron spectra (XPS) were shown in Figure S4, (Supporting Information), in contrast to GO, the additional two visible peaks of Cl 2p and N 1s together with the reduced O/C ratio in the HNFAs confirmed that the formation of the rGO in the presence of hyper‐crosslinked nanofibers. [ 21 ] The high‐resolution C 1s spectrum (Figure 1g) of GO could be deconvoluted into four‐carbon species: CC (284.7 eV), COH (285.3 eV), epoxy/alkoxy (286.8 eV), and CO (288.4 eV).…”

Section: Resultsmentioning

confidence: 99%

Ternary‐Porous Conjugated N‐Halamine Nanofibers/Graphene Aerogels for Rechargeable Degradation of Mustard Gas

Yan

Liu

et al. 2022

Adv Funct Materials

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Chemical warfare agents (CWAs) are significant threats to human peace and global safety. Most of the personal protective equipment in service used to barrier CWAs is devoid of decontamination activity. Rechargeable N-halamine-based detoxifying nanofibers/graphene chemical protective aerogels (HNAs) with ternary pores bearing π-conjugation galleries that can effectively capture mustard gas through halogen bonds and convert them into the nontoxic products are proposed. Microporous nanofibers together with graphene construct a robust lamellar conjugated system dominated by π-π interactions, providing interconnected channels for rapid dispersion and diffusion of contaminated fluid. The resulting HNAs exhibit integrated performances of low density, hierarchical porosity, a speedy recovery after a significant deformation, rechargeable vesicants decontamination (half-life of 1.52 min), and low filtration resistance. The successful fabrication of the intriguing materials provides new insights into the generation of reliable, rechargeable, structurally adaptable, and long-term usable real-time detoxifying adsorbents for chemical personal protective equipment application.

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“…The ability of the APH1 – APH5 to bind Fe 2+ , Cu 2+ , Zn 2+ , Hg 2+ , Cd 2+ , and Al 3+ was studied by ultraviolet–visible (UV–vis) spectroscopy. This is one of the most widely used techniques to study chelation and to elucidate the stoichiometry of the formed metal complexes. − To this end, the UV–vis spectra of the compounds alone and in the presence of one of the evaluated metals were compared. Blank solutions composed of dimethyl sulfoxide (DMSO) 100 mM phosphate buffer at pH 7.30 showed high absorption values between 190 and 240 nm, and consequently only absorbances from 240 to 480 nm were considered.…”

Section: Results and Discussionmentioning

confidence: 99%

Neuroprotective Action of Multitarget 7-Aminophenanthridin-6(5H)-one Derivatives against Metal-Induced Cell Death and Oxidative Stress in SN56 Cells

Moyano

Vicente-Zurdo

Blázquez-Barbadillo

et al. 2021

ACS Chem. Neurosci.

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Neurodegenerative diseases have been associated with brain metal accumulation, which produces oxidative stress (OS), matrix metalloproteinases (MMPs) induction, and neuronal cell death. Several metals have been reported to downregulate both the nuclear factor erythroid 2-related factor 2 (Nrf2) pathway and the antioxidant enzymes regulated by it, mediating OS induction and neurodegeneration. Among a recently discovered family of multitarget 7-amino-phenanthridin-6-one derivatives ( APH ) the most promising compounds were tested against metal-induced cell death and OS in SN56 cells. These compounds, designed to have chelating activity, are known to inhibit some MMPs and to present antioxidant and neuroprotective effects against hydrogen peroxide treatment to SN56 neuronal cells. However, the mechanisms that mediate this protective effect are not fully understood. The obtained results show that compounds APH1 , APH2 , APH3 , APH4 , and APH5 were only able to chelate iron and copper ions among all metals studied and that APH3 , APH4 , and APH5 were also able to chelate mercury ion. However, none of them was able to chelate zinc, cadmium, and aluminum, thus exhibiting selective chelating activity that can be partly responsible for their neuroprotective action. Otherwise, our results indicate that their antioxidant effect is mediated through induction of the Nrf2 pathway that leads to overexpression of antioxidant enzymes. Finally, these compounds exhibited neuroprotective effects, reversing partially or completely the cytotoxic effects induced by the metals studied depending on the compound used. APH4 was the most effective and safe compound.

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Coordination behavior of 3-amino-5,5′-dimethylhydantoin towards Ni(II) and Zn(II) ions: Synthesis, spectral characterization and DFT calculations

Cited by 9 publications

References 28 publications

Molecular modeling analyses for the effect of solvents on amino acids

Molecular modeling analyses for the effect of solvents on amino acids

Ternary‐Porous Conjugated N‐Halamine Nanofibers/Graphene Aerogels for Rechargeable Degradation of Mustard Gas

Neuroprotective Action of Multitarget 7-Aminophenanthridin-6(5H)-one Derivatives against Metal-Induced Cell Death and Oxidative Stress in SN56 Cells

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