Detoxification of aflatoxins on prospective approach: effect on structural, mechanical, and optical properties under pressures

AbstractAflatoxins are sequential of derivatives of coumarin and dihydrofuran with similar chemical structures and well-known carcinogenic agent. Many studies performed to detoxify aflatoxins, but the result is not ideal. Therefore, we studied structural, infrared spectrum, mechanical, and optical properties of these compounds in the aim of perspective physics. Mulliken charge distributions and infrared spectral analysis performed to understand the structural difference between the basic types of aflatoxins. In addition, the effect of pressure, different polarized, and incident directions on their structural changes was determined. It is found that AFB1 is most stable structure among four basic types aflatoxins (AFB1, AFB2, AFG1, and AFG2), and IR spectra are analyzed to exhibit the difference on structures of them. The mechanical properties of AFB1 indicate that the structure of this toxin can be easily changed by pressure. The real\(\left( {{\varepsilon _1}(\omega )} \right)\) and imaginary\(\left( {{\varepsilon _2}(\omega )} \right)\) parts of the dielectric function, and the absorption coefficient\(\alpha (\omega )\) and energy loss spectrum\(L(\omega )\) were also obtained under different polarized and incident directions. Furthermore, biological experiments needed to support the toxic level of AFB1 using optical technologies.
Source: Interdisciplinary Sciences, Computational Life Sciences - Category: Bioinformatics Source Type: research