Inclusion Complexes of Sunscreen Agents with β-Cyclodextrin: Spectroscopic and Molecular Modeling Studies

Table 2

¹³C chemical shifts of pure sunscreen agents (Oxy, Cin, and Oct), their inclusion complex with 𝛽-CD, and the differences between the free sunscreens and the inclusion complexes.

Oxy; atom	Oxy; (ppm)	Oxy: 𝛽-CD (ppm)	Δ𝛿; (ppm)	Cin; atom	Cin; (ppm)	Cin: 𝛽-CD (ppm)	Δ𝛿; (ppm)	Oct	Oct; (ppm)	Oct: 𝛽-CD (ppm)	Δ𝛿; (ppm)
1	199.1	199.1	0.0	9	166.3	166.9	0.6	12	168.5	169.0	0.5
9	165.6	165.7	0.1	16	161.2	161.4	0.2	9	162.5	162.0	−0.5
7	164.3	164.3	0.0	11	143.8	144.5	0.7	14	139.0	138.5	−0.5
2	138.4	138.1	−0.3	12	129.5	130.4	0.9	13	139.0	139.2	0.2
11	134.9	134.0	−0.9	13	129.6	126.8	−2.8	11	116.8	116.5	−0.3
5	132.2	132.3	0.1	14	129.6	129.2	−0.4	10	104.6	104.6	0.0
3	128.0	129.1	1.1	10	115.1	114.7	−0.4	8	168.5	169.0	0.5
4	128.4	128.9	0.5	15	114.1	112.1	−2.0	15	128.3	129.5	1.2
6	114.0	114.3	0.3	8	62.2	63.0	0.8	17	128.3	129.5	1.2
10	107.3	107.4	0.1	17	54.8	55.1	0.3	16	128.6	130.0	1.4
8	101.5	101.6	0.1					19	128.6	130.0	1.4
12	55.9	56.1	0.2