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Manganese‐Coordinated Tyrosine Bio Materials for the Sensing of Reactive Oxygen Species
Author(s) -
Jeihar Ranjan
Publication year - 2019
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201900966
Subject(s) - reactive oxygen species , manganese , rod , tyrosine , polymer , adsorption , nanomaterials , porosity , chemistry , oxygen , materials science , chemical engineering , nanotechnology , biochemistry , organic chemistry , medicine , alternative medicine , pathology , engineering
Abstract Design of biosensor materials for the recognition of reactive oxygen species (ROS) inside living cells is necessary for the early diagnosis of cancer and other diseases induced by ROS. Here, the B3LYP−D3 dispersion‐corrected and Mo6 hybrid density functional theoretical methods and a polarized continuum model to account for the aqueous medium are used to propose models of manganese (Mn +2 )‐coordinated tyrosine (Tyr) nano rods and porous bio materials to detect various ROS, such as . OH, . OOH, H 2 O 2 , . NO, ONOO − , and O 2 .− . It is found that the nano rods and porous polymers may sense the presence of different ROS by utilizing their edges and pores respectively. It is further revealed that due to stable binding and adsorption energies, entrapment of different ROS by the porous polymers would be sustained for longer time compared to the nano rods. However, the edges of nano rods are reactive and may initiate oxidation reactions by converting Mn +2 to Mn +3 . It is thus expected that these bio materials would act as excellent ROS sensors.