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Data on the fluorescence quenching analysis of BSA induced by pyrene and/or 1-hydroxypyrene in binary and ternary systems.

ABSTRACT: This article present data related to the publication entitled "Interactions of pyrene and/or 1-hydroxypyrene with bovine serum albumin based on EEM-PARAFAC combined with molecular docking" (Zhang et al., 2018) [1]. The excitation-emission matrix (EEM) fluorescence spectral parameters of pyrene, 1-hydroxypyrene, bovine serum albumin (BSA), and their mixtures were presented in this article. Combined EEM - parallel factor analysis with fluorescence quenching analysis, some data related to the binding affinity of pyrene and/or 1-hydroxypyrene with BSA in the binary and ternary systems were obtained.

SUBMITTER: Zhang J

PROVIDER: S-EPMC6138979 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature

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Data on the fluorescence quenching analysis of BSA induced by pyrene and/or 1-hydroxypyrene in binary and ternary systems.

Zhang Jing J Chen Linfeng L Liu Dan D Zhu Yaxian Y Zhang Yong Y

Data in brief 20180830

This article present data related to the publication entitled "Interactions of pyrene and/or 1-hydroxypyrene with bovine serum albumin based on EEM-PARAFAC combined with molecular docking" (Zhang et al., 2018) [1]. The excitation-emission matrix (EEM) fluorescence spectral parameters of pyrene, 1-hydroxypyrene, bovine serum albumin (BSA), and their mixtures were presented in this article. Combined EEM - parallel factor analysis with fluorescence quenching analysis, some data related to the bindi ...[more]

PMID: 30225303

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Project description:Polycyclic aromatic hydrocarbons (PAHs) and heavy metal/loid(s) are common environmental pollutants. Toxicological interaction data on benzo[a]pyrene (B[a]P) and heavy metal/loid(s) are lacking. In this study, we have determined the combined toxicity of B[a]P, arsenic (As), cadmium (Cd) and lead (Pb) in HepG2 cells. The binary, ternary and quaternary mixture toxicity of B[a]P and heavy metal/loid(s) was predicted by using the combination index (CI)-isobologram method. This method is useful to predict the quantitative nature of an interaction between chemicals at different effect (inhibitory concentration) levels from 0.1 to 99% using computerised quantitation. A total of 11 mixtures including six binary mixtures, four ternary and one quaternary mixtures of B[a]P and heavy metal/loid(s) were evaluated for their interactions. The cytotoxicity of individual and multi-component mixtures was evaluated by MTS assay. The selected concentrations for the individual dose response study were 0-100 ?M - B[a]P; 0-40 ?M - Cd; 0-400 ?M - As and Pb. The individual dose response results showed that all four chemicals were toxic to liver cells with Cd being the most potent toxicant. Mixtures of B[a]P and heavy metal/loid(s) were prepared based on their individual Dm concentration using a 1?:?1 ratio and exposed to HepG2 cells. By using the CI-isobologram method, the predicted interactions between these chemicals were synergism, additivity or antagonism at different effect levels. All the mixtures except the ternary mixture of B[a]P + As + Pb displayed synergism at a lower effect level (IC10-IC30), and additivity, synergism or antagonism at 50-90% effect levels. Among these mixtures, mixtures of heavy metal/loid(s) (both binary and ternary combinations) and a quaternary mixture of B[a]P + As + Cd + Pb showed a strong synergistic response at lower effect levels compared to other mixtures. The predicted interaction response by the CI method was compared with classical models of concentration addition and independent action. The CI method displayed an improved prediction power compared to classical models. The predicted synergistic interaction between B[a]P and heavy metal/loid(s) may have important implications in the human health risk assessment of these mixed chemical mixtures at contaminated sites.

Project description:The model-free analysis (MFA) was applied to measure the average rate constant (<k>) for pyrene excimer formation (PEF) in a series of pyrene-labeled dendrons referred to as Pyx-G(N), where x (= 2N) is the number of pyrenyl labels born by a dendron of generation N ranging from 1 to 6. <k> was measured in four different solvents, namely tetrahydrofuran (THF), toluene, N,N-dimethylformamide (DMF), and dimethylsulfoxide (DMSO). <k> was found to increase linearly with increasing local pyrene concentration ([Py]loc), where [Py]loc had been determined mathematically for the Pyx-G(N) dendrons. The slope of each straight line changed with the nature of the solvent and represented kdiff, the bimolecular rate constant for PEF. kdiff depended on the solvent viscosity (η) and the probability (p) for PEF upon encounter between an excited and a ground-state pyrene. In a same solvent, kdiff for the Pyx-G(N) dendrons was about 360 ± 30 times smaller than kdiff obtained for ethyl 4-(1-pyrene)butyrate (PyBE), a pyrene model compound similar to the pyrene derivative used to label the dendrons. The massive decrease in kdiff observed for the Pyx-G(N) samples reflected the massive loss in mobility experienced by the pyrenyl labels after being covalently attached onto a macromolecule compared to freely diffusing PyBE. Interestingly, the kdiff values obtained for the Pyx-G(N) dendrons and the PyBE model compound followed similar trends as a function of solvent, indicating that the difference in behavior between the kdiff values obtained in different solvents were merely due to the changes in the η and p values between the solvents. Normalizing the <k> values obtained with the Pyx-G(N) dendrons by the kdiff values obtained for PyBE in the same solvents accounted for changes in η and p, resulting in a master curve upon plotting <k>/(fdiff × kdiff) as a function of [Py]loc, where fdiff was introduced to account for some pyrene aggregation in the higher generation dendron (Py64-G(6)). This result demonstrates that <k> represents a direct measure of [Py]loc in pyrene-labeled macromolecules.

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Data on the fluorescence quenching analysis of BSA induced by pyrene and/or 1-hydroxypyrene in binary and ternary systems.

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Data on the fluorescence quenching analysis of BSA induced by pyrene and/or 1-hydroxypyrene in binary and ternary systems.

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