Photodegradation applied to the treatment of phenol and derived substances catalyzed by TiO2/BiPO4 and biological toxicity analysis

Aim and Objective: To evaluate a set of seventy phytochemicals for their potential ability to bind the inhibitor of nuclear factor kappaB kinase beta (IKK-β) which is a prime target for cancer and inflammatory diseases. Materials and Methods: Seventy phytochemicals were screened against IKK-β enzyme using DFT-based molecular docking technique and the top docking hits were carried forward for molecular dynamics (MD) simulation protocols. The adme-toxicity analysis was also carried out for the top docking hits. Results: Sesamin, matairesinol and resveratrol were found to be the top docking hits with a total score of -413 kJ/mol, -398.11 kJ/mol and 266.73 kJ/mol respectively. Glu100 and Gly102 were found to be the most common interacting residues. The result from MD simulation observed a stable trajectory with a binding free energy of -107.62 kJ/mol for matairesinol, -120.37 kJ/mol for sesamin and -40.56 kJ/mol for resveratrol. The DFT calculation revealed the stability of the compounds. The ADME-Toxicity prediction observed that these compounds fall within the permissible area of Boiled-Egg and it does not violate any rule for pharmacological criteria, drug-likeness etc. Conclusion: The study interprets that dietary phytochemicals are potent inhibitors of IKK-β enzyme with favourable binding affinity and less toxic effects. In fact, there is a gradual rise in the use of plant-derived molecules because of its lesser side effects compared to chemotherapy. The study has also provided an insight by which the phytochemicals inhibited the IKK-β enzyme. The investigation would also provide in understanding the inhibitory mode of certain dietary phytochemicals in treating cancer.

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P76.05 Radiotherapy with Concurrent Versus Sequential Osimertinib for Advanced Non-Small Cell Lung Cancer: a Multi-Center Toxicity Analysis

Journal of Thoracic Oncology ◽

10.1016/j.jtho.2021.01.1062 ◽

2021 ◽

Vol 16 (3) ◽

pp. S586-S587

Author(s):

D. Qian ◽

M. Behera ◽

J. Carlisle ◽

T. Owonikoko ◽

C. Steuer ◽

...

Keyword(s):

Lung Cancer ◽

Small Cell Lung Cancer ◽

Cell Lung Cancer ◽

Small Cell ◽

Small Cell Lung ◽

Toxicity Analysis

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Synthesis, Characterization and Toxicity Analysis of Some Mn(II), Co(II), Ni(II) and Cu(II) Complexes with N-p-Nitrobenzoyl-a-phenylalanine

Asian Journal of Chemistry ◽

10.14233/ajchem.2015.19206 ◽

2015 ◽

Vol 27 (12) ◽

pp. 4510-4516

Author(s):

C. Rosca ◽

V. Sunel ◽

M. Cretu ◽

C. Mita ◽

N. Apostolescu ◽

...

Keyword(s):

Toxicity Analysis

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Effect of Pseudomonas moorei KB4 Cells’ Immobilisation on Their Degradation Potential and Tolerance towards Paracetamol

Molecules ◽

10.3390/molecules26040820 ◽

2021 ◽

Vol 26 (4) ◽

pp. 820

Author(s):

Robert Surma ◽

Danuta Wojcieszyńska ◽

Jagna Karcz ◽

Urszula Guzik

Keyword(s):

Protective Effect ◽

Kinetic Parameters ◽

Toxicity Assessment ◽

Bacterial Cells ◽

Low Concentrations ◽

Toxicity Analysis ◽

Immobilised Cells ◽

Degradation Activity ◽

High Concentrations ◽

The Hill

Pseudomonas moorei KB4 is capable of degrading paracetamol, but high concentrations of this drug may cause an accumulation of toxic metabolites. It is known that immobilisation can have a protective effect on bacterial cells; therefore, the toxicity and degradation rate of paracetamol by the immobilised strain KB4 were assessed. Strain KB4 was immobilised on a plant sponge. A toxicity assessment was performed by measuring the concentration of ATP using the colony-forming unit (CFU) method. The kinetic parameters of paracetamol degradation were estimated using the Hill equation. Toxicity analysis showed a protective effect of the carrier at low concentrations of paracetamol. Moreover, a pronounced phenomenon of hormesis was observed in the immobilised systems. The obtained kinetic parameters and the course of the kinetic curves clearly indicate a decrease in the degradation activity of cells after their immobilisation. There was a delay in degradation in the systems with free cells without glucose and immobilised cells with glucose. However, it was demonstrated that the immobilised systems can degrade at least ten succeeding cycles of 20 mg/L paracetamol degradation. The obtained results indicate that the immobilised strain may become a useful tool in the process of paracetamol degradation.

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How much do the conventional parameters contribute to the biological toxicity of surface water in different types of villages?

Environmental Sciences Europe ◽

10.1186/s12302-021-00518-7 ◽

2021 ◽

Vol 33 (1) ◽

Author(s):

Ying Shao ◽

Yueting Fan ◽

Yinjie Yang ◽

Min Zhou ◽

Tingting Li ◽

...

Keyword(s):

Water Quality ◽

Surface Water ◽

Acute Toxicity ◽

Correlation Analysis ◽

Surface Water Quality ◽

Rural Environment ◽

Environment Management ◽

Biological Toxicity ◽

Monitoring Programs ◽

Toxicity Effects

Abstract Background In rural areas, the surface water quality is seriously threatened by pollution from agriculture, breeding, industrial and tourism activities. Even though many strategies and programs were launched for rural environment management, it is challenging to tackle the serious surface water pollution in villages. Since pollution status varies with the type of villages, there is no single parameter that defines environment quality completely. Until recently, most of rural surface water quality monitoring programs focus only on the conventional parameters, while can these conventional parameters reflect comprehensive status of water quality? To study how much the conventional parameters contribute to biological toxicity of surface water in villages, the in situ parameters of pH, DO, EC, ORP, laboratorial parameters of COD, TN, NO3−-N, NO2−-N, NH4+-N, TP, and PO43−-P and acute toxicity were analyzed for the surface water samples those were collected from six types of villages, named breeding, agricultural, handicraft, industrial, agricultural and breeding, and tourism. The correlation analysis was applied to establish the linkages and contributions of each parameter. Results The results showed that all detected surface waters were alkaline, and the concentration of TN and most of COD concentrations in all six types of villages were higher than the Class V limits specified in environmental quality standards for surface water (GB3838-2002). Pearson’s correlation analysis showed that significantly positive correlations were found for the acute toxicity effects and laboratorial parameters of NO2−-N, NH4+-N and PO43−-P in agricultural villages, and negative correlations were found for the acute toxicity effects and laboratorial parameters of TN and NO3−-N. No significant correlation was observed in breeding villages and industrial villages. Conclusion The problems of nitrogen pollution and aerobic pollution are still serious in villages, and more attention should be paid in further rural environment management. NH4+-N could contribute to the acute toxicity of surface water in the most of investigated villages, while no significant correlation was observed between acute toxicity and conventional parameters in industrial villages and tourism villages. Environmental monitoring programs focusing just on the classical conventional parameters are far from sufficient, since the main toxic contributors are quite different in diverse villages. The outcomes of the present study contribute to demonstrate the performance and usefulness of bioanalytical techniques for water quality assessment.

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