Multifunctionalization of cotton using a single product has not been made until now. Such a product was synthesized using compounds with multiple functions (glyoxal, ethylenediamine (ED) and monochlorotriazinyl-β-cyclodextrin (MCT-β-CD)), under different mass ratios. Obtaining this multifunctional derivative has been confirmed by spectroscopic analyses (1H-NMR and FTIR) and a scanning electron microscope (SEM). Treatment of cotton with the MCT-β-CD derivative (D-CD) has been realized with the pad dry-cure technology. The presence of this multifunctional derivative on cotton was highlighted with spectroscopic (FTIR, EDAX, XRD) and thermoanalytical (DSC) methods. The objective of treating cotton with D-CD was to achieve four simultaneous effects: large wrinkle recovery angle (WRA), hydrophilicity, antibacterial capacity and a good breaking resistance. This objective has been achieved, so the garments that will be manufactured with such multifunctional cotton will be more comfortable. The efficiency of treatments with D-CD was marked out by multiple linear regression (MLR) and certain quality indices. Using MLR, the behavior of the treated cotton was mathematically modeled and the stationary/optimal points corresponding to each effect were calculated. Quality indices have been calculated and all final samples had values higher than 1, which confirmed the positive effects exerted by D-CDs on cotton.

In this research, the inclusion ratios and inclusion constants of MCT-β-CD/PERM and MCT-β-CD/CYPERM inclusion complexes were measured by UV-vis and fluorescence spectroscopy. The inclusion ratios are both 1:1, and the inclusion constants are 60 and 342.5 for MCT-β-CD/PERM and MCT-β-CD/CYPERM, respectively. The stabilities of inclusion complexes were investigated by MD simulation. MD shows that VDW energy plays a vital role in the stability of inclusion complex, and the destruction of inclusion complex is due to the increasing temperature. The UV-vis absorption spectra of MCT-β-CD and its inclusion complexes were studied by time-dependent density functional theory (TDDFT) method employing BLYP-D3, B3LYP-D3 and M06-2X-D3 functionals. BLYP-D3 well reproduces the UV-vis absorption spectrum and reveals that the absorption bands of MCT-β-CD mainly arise from n→π(∗) and n→σ(∗) transition, and those of inclusion complexes mainly arise from intramolecular charge transfer (ICT). ICT results in the shift of main absorption bands of MCT-β-CD.