The synthesis, crystal structure, and magnetic characterization are reported for three new structurally related iron(III) compounds (NHEt3)[Fe8O5(OH)5(O2PPh2)10] (1), [Fe12 Ca4O10(O2CPh)10(hmp)4] (2), and [Fe12La4O10(OH)4(tbb)24] (3), where hmpH is 2...
The quantum-chemical calculation of iron, cobalt and nickel heteroligand complexes with the double deprotonated form of (NNNN)-donor atomic ligand—3,7,11,15-tetraazaporphine—and two oxo ligands has been carried out. Data on the structural...
Iron single-atom catalysts (Fe-SACs) offer an atomically defined platform for peroxide-based advanced oxidation, yet their reactivity is still frequently rationalized using coordination structures measured only before or after catalysis. Such static...
This study employs DFT at the APFD/def2-TZVP level, with SMD solvation in THF, to investigate the catalytic activation of methane by [(κ3-CNC)Fe(N₂O)]2+ cation complexes. The catalytic mechanism encompasses three key steps: oxygen atom tr...
By using quantum chemical calculation data obtained by the DFT method with the B3PW91/TZVP and OPBE/TZVP levels, the possibility of the existence of three Fe(V) complexes, each of which contains in the inner coordination sphere porphyrazine/trans-di[...
Two types of isostructural iron-cobalt/nickel-antimony-oxo tartrate cluster-based compounds, namely (H3O)(Me2NH2)[M(H2O)6]2[FeII2SbIII12(μ4-O)3(μ3-O)8(tta)6]·6H2O (M = Co (1); Ni (3)), H5/3[Co2.5FeII4/3FeIII3(H2O)13SbV1/3FeIII2/3(μ4-O...
Mononuclear nonheme iron(IV)–oxo species supported by mixed nitrogen–sulfur (N/S) ligands remain scarce, despite the prevalence of sulfur donors in biological iron sites and their expected impact on ferryl reactivity and catalyst design....
Two trinuclear oxo-centred iron(III) coordination compounds of monensic and salinomycinic acids (HL) were synthesized and their spectral properties were studied using physicochemical/thermal methods (FT–IR, TG–DTA, TG–MS, EPR, M&oum...
The reliance on acidic working environments presents a significant bottleneck in the development and widespread application of peroxymonosulfate (PMS)-activated high-valent iron-oxo systems and iron-based catalysts. In this study, we present a system...
Heme-type catalase is a class of oxidoreductase enzymes responsible for the biological defense against oxidative damage of cellular components caused by hydrogen peroxide, where metal-oxo species are proposed as reactive intermediates. To get more in...
The valence bond (VB) framework is widely recognized as a powerful tool for elucidating the electronic origins of activation energy barriers in chemical reactions. We employed ab initio VB calculations to investigate the hydrogen abstraction (H-abstr...
Cytochrome P450s are a broad class of enzymes in the human body with important functions for human health, which include the metabolism and detoxification of compounds in the liver. Thus, in their catalytic cycle, the P450s form a high-valent iron(IV...
In this study, both wood flour (WF) and wood flour-derived biochar (WFB) were used as supports for Fe3O4 to activate peroxydisulfate (PDS). The role of different carriers was investigated emphatically from the aspects of catalyst properties, the degr...
Heme and nonheme-type flavone synthase enzymes, FS I and FS II are responsible for the synthesis of flavones, which play an important role in various biological processes, and have a wide range of biomedicinal properties including antitumor, antimala...
We have described a new route for the preparation of partially methylated polygalacturonic acid containing hydrolyzed (acidic) and unhydrolyzed (methyl esterified) carboxylate groups in a ratio of 1:1 (PGA, compound 1), and one of its basic FeIII&mda...
Pharmaceutical pollutants have emerged as a critical class of aquatic micropollutants due to their continuous release, persistence, and potential impacts on ecosystems and human health. Conventional wastewater treatment systems are often insufficient...
Two metallacyclic tetranuclear Fe(III) complexes, [{Fe2(μ-O)(μ-RCOO)2(tpon)}2](BPh4)4 [R = Me (1), Ph (2)], where the flexible ditopic ligand tpon (N,N,N′,N′-tetrakis(2-pyridylmethyl)octane-1,8-diamine) links two μ-oxo-bis(μ-c...
We investigated the association between iron overload, oxidative stress (8-oxo-7,8-dihydroguanine: 8-oxo-dG scores), Wnt/β-catenin pathway activation (expression of glutamine synthetase: GS), and tumor hyperintensity in the Gd-EOB-DTPA-enhanced...
The use of dyes as sensitizing agents to increase semiconductor activity is a strategy already adopted in the field of heterogeneous photocatalysis, but the compounds applied are noble metal-based and sometimes difficult to synthesize, which make it...
The [N,N′-disalicylidene-1,2-phenylenediamine]iron(III) ([salophene]iron(III)) derivatives 1–4 with anionic axial ligands (A = Cl−, NO3−, SCN−, CH3COO−) and complexes 5 and 6 with neutral ligands (A = imidazole, 1-...
Enzymatic halogenation and haloperoxidation are unusual processes in biology; however, a range of halogenases and haloperoxidases exist that are able to transfer an aliphatic or aromatic C–H bond into C–Cl/C–Br. Haloperoxidases util...
Upon reacting with cellular components, Hg(II) ions elicit the production of reactive oxygen species (ROS). While the ROS-promoted cytotoxic and genotoxic effects induced by Hg(II) have been widely described in eukaryotes, such effects have been less...
The syntheses, coordination chemistry, and Mössbauer spectroscopy of hepta-iron(III) complexes using derivatised salicylaldoxime ligands from two categories; namely, ‘single-headed’ (H2L) and ‘double-headed’ (H4L) salicyl...
The guanine oxidized (GO) system of Bacillus subtilis, composed of the YtkD (MutT), MutM and MutY proteins, counteracts the cytotoxic and genotoxic effects of the oxidized nucleobase 8-OxoG. Here, we report that in growing B. subtilis cells, the gene...
Lipoxygenases (LOXs), naturally occurring enzymes, are widely distributed in plants and animals. LOXs can be non-sulfur iron, non-heme iron, or manganese-containing dioxygenase redox enzymes. LOXs catalyze the oxidation of polyunsaturated fatty acids...
Metallosurfactants combine the unique soft-matter properties of surfactants with magnetic functionalities of metal ions. The inclusion of iron-based species, in particular, can further boost the functionality of the material, owing to iron’s ab...
Iron(II) and manganese(II) complexes with N4Py [N4Py—N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amine] have been found to activate O2 for the oxidation of α-pinene in acetonitrile. For example, for 1 M α-pinene, 0.5 mM [(N4Py)F...
Iron (oxyhydr)oxides serve as foundational catalysts in heterogeneous Fenton systems, yet their catalytic efficacy varies significantly across distinct mineral species. This review systematically explores the structure-activity relationships governin...
The mechanisms of sulfoxidation and epoxidation mediated by previously synthesized and characterized iron(III)-iodosylbenzene adduct, FeIII(OIPh) were investigated using para-substituted thioanisole and styrene derivatives as model substrates. Based...
In the present study, we report the solid-state isolation and structural characterization of novel iron(III) complexes of the veterinary antibiotic monensin. Monensic acid (MonH × H2O) forms a dinuclear complex of composition with FeCl3 [FeCl(M...
The current study was focused on the potential of pure P25 TiO2 nanoparticles (NPs) and Fe(1%)-N co-doped P25 TiO2 NPs to induce cyto- and genotoxic effects in MRC-5 human pulmonary fibroblasts. The oxidative lesions of P25 NPs were reflected in the...
The oxidation of aqueous solutions of carbamazepine is conducted using the Fenton reagent, combined with the photolytic action of a 150 W medium pressure UV lamp, operating at T = 40 °C. The effect of acidity is analysed at an interval pH = 2.0–5.0,...
Individuals with C282Y/C282Y in the hemochromatosis HFE gene have increased iron levels, which catalyze the formation of reactive oxygen species, and an increased risk of diabetes. These individuals may have disproportionately lower hemoglobin A1c (H...
Gamma-tocotrienol (GT3) is one of the constituents of vitamin E that demonstrated significant radioprotective efficacy in murine and nonhuman primate (NHP) models. Considering the antioxidant activity of GT3 and its role in terminating lipid peroxida...
Approximately 3 × 1017 DNA damage events take place per hour in the human body. Within clustered DNA lesions, they pose a serious problem for repair proteins, especially for iron–sulfur glycosylases (MutyH), which can recognize them by th...
The use of dioxygen as an oxidant in fine chemicals production is an emerging problem in chemistry for environmental and economical reasons. In acetonitrile, the [(N4Py)FeII]2+ complex, [N4Py—N,N-bis(2-pyridylmethyl)-N-(bis-2-pyridylmethyl)amin...
Metal-substituted hemoproteins have been examined by biochemists for decades, but their potential for diverse functionalities has not been thoroughly investigated. By replacing hemoproteins with non-native metals, heme-containing proteins could be ca...
Mayenite was recently successfully employed as an active catalyst for trichloroethylene (TCE) oxidation. It was effective in promoting the conversion of TCE in less harmful products (CO2 and HCl) with high activity and selectivity. However, there is...
This study aims to compare the fecal microbiome-metabolome response to copper sulfate (CuSO4) and copper glycinate (Cu-Gly) in pigs. Twelve Meishan gilts were allocated into the CuSO4 group and the Cu-Gly group (fed on a basal diet supplemented with...
Alkaline treatment in 0.2 and 0.4 M NaOH solutions successfully generated controlled mesoporosity into ZSM-5 (Zeolite Socony Mobil-5) zeolite, resulting in average mesopore diameters of approximately 15 and 25 nm, respectively, while preserving the c...
Metal–organic frameworks (MOFs) attract growing interest in biomedical applications. Among thousands of MOF structures, the mesoporous iron(III) carboxylate MIL-100(Fe) (MIL stands for the Materials of Lavoisier Institute) is among the most stu...
Heme peroxidases have important functions in nature related to the detoxification of H2O2. They generally undergo a catalytic cycle where, in the first stage, the iron(III)–heme–H2O2 complex is converted into an iron(IV)–oxo–h...
The cytochromes P450 are drug metabolizing enzymes in the body that typically react with substrates through a monoxygenation reaction. During the catalytic cycle two reduction and protonation steps generate a high-valent iron (IV)-oxo heme cation rad...
This study introduces an efficient and sustainable catalytic system utilizing cobalt ferrite nanoparticles (CoFe2O4-NPs) for the synthesis of valuable 6-amino-2-oxo-4-phenyl (or 4-chlorophenyl)-1,2,3,4-tetrahydropyrimidine-5-carbonitrile derivatives....
Gravimetric measurements were applied to study the inhibitory effect of 4-benzyl-1-(4-oxo-4-phenylbutanoyl)thiosemicarbazide (BOT) on the corrosion of mild steel in 1.0 M HCl. BOT has a good inhibitory efficacy of 92.5 percent at 500 ppm, according t...
Hydrogenation and dehydrogenation reactions are fundamental in chemistry and essential for all living organisms. We employ density functional theory (DFT) to understand the reaction mechanism of the oxidative dehydrogenation (ODH) of the pyridyl-amin...
Transition-metal-catalyzed nitrene transfer reactions are typically performed in organic solvents under inert and anhydrous conditions due to the involved air and water-sensitive nature of reactive intermediates. Overall, this study provides insights...
Superparamagnetic iron oxide nanoparticles (SPION) with a “non-fouling” surface represent a versatile group of biocompatible nanomaterials valuable for medical diagnostics, including oncology. In our study we present a synthesis of novel...
The cytochromes P450 are versatile enzymes found in all forms of life. Most P450s use dioxygen on a heme center to activate substrates, but one class of P450s utilizes hydrogen peroxide instead. Within the class of P450 peroxygenases, the P450 OleTJE...
In this work, two compounds of isonicotinohydrazide organic class, namely (E)-N′-(1-(4-(dimethylamino)phenyl)ethylidene) isonicotinohydrazide (MAPEI) and (Z)-N′-(2-oxo-2, 3-dihydro-1H-inden-1-ylidene) isonicotinohydrazide (OHEI) were synt...
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