Atmospheric fate of typical liquid crystal monomers in the tropospheric gas,liquid,and granular phases

Mineral aerosol particles significantly impact environmental risk prediction of liquid crystal monomers(LCMs).In this work,we investigated the reaction mechanisms and kinetics of three typical LCMs(4-cyano-3,5-difluorophenyl 4-ethylbenzoate(CEB-2F),4-cyano-3-fluorophenyl 4-ethylbenzoate(CEB-F),and 4-cyanophenyl 4-ethylbenzoate(CEB))with ozone(O_(3))in the atmospheric gas,liquid,and particle phases employing density functional theory(DFT).Here,O_(3)is prone to add to the benzene ring without F atom(s)in the selected LCMs.The ozonolysis products are aldehydes,carboxylic acids,epoxides,and unsaturated hydrocarbons containing aromatic rings.Those products undergo secondary ozonolysis to generate small molecular compounds such as glyoxal,which is beneficial for generating secondary organic aerosol(SOA).Titanium dioxide(TiO_(2)),an essential component of mineral aerosol particles,has good adsorption properties for LCMs;however,it slightly reduces the reactivity with O_(3).At 298 K,the reaction rate constant of the selected LCMs reacting with O_(3)in the gas and atmospheric liquid phases is(2.74–5.53)×10^(-24)cm^(3)/(mol·sec)and 5.58×10^(-3)–39.1 L/(mol·sec),while CEB-2F reacting with O_(3)on(TiO_(2))_(6)cluster is 1.84×10^(-24)cm^(3)/(mol·sec).The existence of TiO_(2)clusters increases the persistence and long-distance transportability of LCMs,which enlarges the contaminated area of LCMs.

Toxic effects of three perfluorinated or polyfluorinated compounds(PFCs)on two strains of freshwater algae:Implications for ecological risk assessments

Perfluorinated or polyfluorinated compounds(PFCs)continue entering to the environmental as individuals or mixtures,but their toxicological information remains largely unknown.Here,we investigated the toxic effects and ecological risks of Perfluorooctane sulfonic acid(PFOS)and its substitutes on prokaryotes(Chlorella vulgaris)and eukaryotes(Microcystis aeruginosa).Based on the calculated EC50 values,the results showed that PFOS was significantly more toxic to both algae than its alternatives including Perfluorobutane sulfonic acid(PFBS)and 6:2 Fluoromodulated sulfonates(6:2 FTS),and the PFOS-PFBS mixture was more toxic to both algae than the other two PFC mixtures.The action mode of binary PFC mixtures on Chlorella vulgaris was mainly shown as antagonistic and on Microcystis aeruginosa as synergistic,by using Combination index(CI)model coupled with Monte Carlo simulation.The mean risk quotient(RQ)value of three individual PFCs and their mixtures were all below the threshold of 10^(−1),but the risk of those binary mixtures were higher than that of PFCs individually because of their synergistic effect.Our findings contribute to enhance the understanding of the toxicological information and ecological risks of emerging PFCs and provide a scientific basis for their pollution control.