Ten single-template molecularly imprinted polymers (SMIP) and eight mixed-template molecularly imprinted polymers (MMIP) were synthesized by non-covalent bond precipitation polymerization using plant growth regulator as template

methacrylic acid (MAA) as functional monomer and ethylene glycol dimethyl acrylate (EGDMA) as crosslinking agent. The effects of the dipole moment

oil-water partition coefficient (lg

P

)

acid-base ionization constant (p

K

a

)

H bond acceptors

polar surface area and molar volume of the template on the imprinting effect was studied. Molecular dynamics simulations of all-component prepolymerization mixtures for MMIP have been employed to investigate the mechanistic basis for template selective recognition in these systems. The results showed that the dipole moment

lg

P

and p

K

a

of the template were positively correlated with the imprinting factor (IF)

specificity parameters (SP) and binding capacity (

Q

) of the SMIP synthesized by UV-initiated polymerization at 4 ℃

and the lg

P

and p

K

a

of the template were positively correlated with the IF

SP and Q of the SMIP prepared by thermal initiation polymerization at 60 ℃. MMIP synthesized by UV-initiated polymerization at 4 ℃ using 4-chlorophenoxyacetic acid

uniconazole and 1-naphthylacetic acid as mixed templates obtained better co-imprinting effect than single template imprinting

even though the concentration of each template was only 1/3 of that of single imprinting. Which has the best selectivity for 4-chlorophenoxyacetic acid

uniconazole

1-naphthylacetic acid

paclobutrazol

triadimefon and thiazolone. The binding capacity of the MMIP for these target PGRs is 1.77

1.78

2.79

1.62

2.88 and 5.39 times of that of corresponding non-imprinted polymer (NIP)

respectively

and the total binding capacity is 10.93 μmol/g

which can be used for the extraction and separation of these PGRs. In molecular imprinting preassembly systems

complexes can be formed not only between the same template but also between different templates. The binding between some templates can hinder their binding with functional monomers

resulting in a weakened imprinting effect. The combination of other templates can enhance their binding with functional monomer

so as to enhance the imprinting effect.