Theoretical and experimental study on the inhibition of jet fuel oxidation by diarylamine

Antioxidants addition is believed as a facile and effective way to improve jet fuel thermal oxidation stability.However,amine antioxidants,as one of the most important antioxidants,have not received sufficient attention in the field of jet fuel autoxidation yet.Herein,the inhibition efficiency and mechanism of decane and exo-tetrahydrodicyclopentadiene(THDCPD)oxidation by di-4-tert-butylphenylamine(diarylamine)was experimentally and theoretically investigated.The results show that diarylamine can significantly inhibit decane oxidation but is less efficient for THDCPD oxidation,which is attributed to the higher energy barrier of retro-carbonyl-ene reaction(rate-determining step)in THDCPD than that in decane during diarylamine regeneration.However,the addition of diarylamine will cause undesirable color change after accelerated oxidation and produce slightly more deposits during high-temperature thermal oxidative stress for both decane and THDCPD.The results provide significant implications for the future design of effective antioxidant additives for high-performance jet fuel.

Fluorescent properties and in vitro studies of new dehydroabietic acid-based diarylamines fluorescent probes

A series of dehydroabietic acid-based diarylamines have been synthesized in order to investigate their fluorescent properties, photostability, cell toxicity and in vitro fluorescence imaging. The geometries as well as their molecular properties were optimized at the B3LYP/6-31G~* level using Gaussian 03. The results indicate that molecular geometry, HOMO and LUMO energies, and energy gaps are important to predict absorption and fluorescent properties. Five of the compounds can be effectively taken up by human cervical carcinoma, human hepatocellular carcinoma SMMC-7721, human gastric cancer SGC-7901 and human lung adenocarcinoma A549 cells and strong blue fluorescent signals are detected in these cells. These compounds are potential candidates for fluorescent probes in biological diagnosis.

Synthesis and biological evaluation of novel pyrazole carboxamide with diarylamine-modified scaffold as potent antifungal agents

Twenty-seven novel pyrazole carboxamides with diarylamine-modified scaffold were designed,synthesized and characterized in detail via1 H NMR,^（13） C NMR, IR and ESI-HRMS. Preliminary bioassays showed that some of the target compounds exhibited good antifungal activity against Rhizoctonia solani,Rhizoctonia cerealis and Sclerotinia sclerotiorum. Among them, compound 9c-7 exhibited the highest antifungal activities against R. solani, R. cerealis and S. sclerotiorum in vitro with IC_（50） values of 0.013, 1.608 and 1.874 mg/m L, respectively. Notably, compound 9c-7 still presented the highest fungicidal activities against R. solani in vivo with an IC_（50） value of 22.21 mg/m L. Molecular docking simulation results reveal that compound 9c-7 binds well to the hydrophobic pockets of the receptor protein succinate dehydrogenase. This study suggests that compound 9c-7 could act as a potential fungicide to be used for further optimization.

Stable Diarylamine-Substituted Tris(2,4,6-trichlorophenyl)methyl Radicals: One-Step Synthesis, Near-Infrared Emission, and Redox Chemistry

A mild one-step radical-to-radical synthetic strategy has been developed to directly produce a new family of diarylamine-substituted tris(2,4,6-trichlorophenyl)methyl(TTM)radicals TTM-DPA,TTM-DBPA,and TTM-DFA.The obtained TTM radical derivatives are extremely stable during chromatography purification and long-term storage in the solid state.