Design of high-performance adsorption cross-linked organic functional polymers towards tricyclic antidepressants using computational simulation

Development of Electrochemical Platform Based on Molecularly Imprinted Poly(methacrylic acid) Grafted on Iniferter‐modified Carbon Nanotubes for 17β‐Estradiol Determination in Water Samples

“…As observed in Figure S1, the highest anodic current was observed at pH 7.0. Under this pH value, the E2 molecule (pKa 10.7) is in its molecular form [51], while the pKa for the carboxylic group present in poly(methacrylic acid) acid grafted on the MWCNT surface might reach a value of 7.3 [52]. Therefore, it seems that the interaction of the E2 molecule with the nanocomposite may take place by hydrogen bonds with the carboxylic group and by stack interactions with the MWCNT.…”

Investigation of the performance of cross-linked poly(acrylic acid) and poly(methacrylic acid) as efficient adsorbents in SPE columns for simultaneous preconcentration of tricyclic antidepressants in water samples

“…Synthesis of the polymers was based on our previous study as well as the choice of functional monomers by computation simulation. 30 For chromatographic analysis, a Kinetex core–shell C18 column from Phenomenex® (Torrance, California, USA), with dimensions of 250 mm × 4.6 mm and a 5 μm particle size, was used. Other columns, a Kinetex C18 column from Phenomenex® (Torrance, California, USA), with dimensions of 250 mm × 4.5 mm and a 5 μm particle size, and a Luna Phenomenex C8 column, with dimensions of 250 mm × 4.6 mm and a 5 μm particle size, were also evaluated.…”

“…These equilibrium times were determined from our recent publication. 30 Subsequently, the obtained suspensions were centrifuged at 3000 rpm for 5 minutes. The supernatant was filtered through a 0.45 μm Nylon® syringe filter and injected into the chromatographic system to determine the remaining TCAs.…”

“…Sample pH was set at pH 7.0 as described in our recent publication. 30 In the next step, the elution was performed with 10.0 mL of different types of eluents: ACN, MeOH, ACN : HAc (90 : 10% v/v), MeOH : HAc (90 : 10% v/v) and ACN : MeOH : HAc (45 : 45 : 10% v/v). An aliquot of 2.0 mL of the eluate was transferred to a beaker and evaporated on a heating plate at 60 °C.…”

“…29 Our research group has recently reported the use of computer simulation in the choice of monomers (acrylic acid and methacrylic acid) for the synthesis of cross-linked polymers aiming at TCA adsorption by means of kinetic and thermodynamic studies. 30…”