To study asphalt aging and its anti-aging mechanism, the Frontier Orbital theory, Fukui Function, and Density Functional Theory are applied.The data reveals that 65 nm UV light can dissociate O2 into O radicals during UV aging. Among the resin components, sulfur (S) exhibits the highest radical attack index (f0) of 0.131. Resin molecules absorb UV light at 344 nm and 311 nm, leading to pi electron transitions in S with a 28% probability. This result aligns with f0, indicating that f0 adequately reflects chemical reactivity. Resin molecules with electron transitions in S can form sulfoxide by c...