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The contributions of each core template and functional group were evaluated.
It was based on the comparison of the binding energy of the complexes between the template and functional monomers.
Binding affinity is influenced by the core template and functional groups of the ligands which are structurally different cause the variation of interaction energies with nsLTP2.
A virtual library consisting of 18 functional monomers was built and possible interactions between the template and functional monomers were investigated using a semiempirical approach.
MIPs were prepared by dissolving the specific template and functional methacrylate monomer at varying ratios with a cross-linker and initiator in a porogenic solvent, spin-coating the solution onto 3- trimethoxysilyl propyl methacrylate-functionalised silicon wafers and photo-polymerisation.
1H NMR studies confirmed the AAD-DDA (A for acceptor, D for donor) hydrogen-bond array between template and functional monomer, while the resultant monodisperse molecularly imprinted microspheres (MIMs) were evaluated using a binding experiment, high performance liquid chromatography (HPLC), and solid phase extraction.
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Nevertheless, molecular imprinting for aqueous systems remains a challenge due to the hydrogen bonding between templates and functional monomers destroyed in the bulk water.
It was found that the core templates rather than functional groups play a larger role during the binding processes; in addition, the binding qualities are determined by the synergistic effects of the core templates and functional groups.
Chrysoidine and pyrrole were used as template molecule and functional monomer, respectively.
It was based on the comparison of the binding energy of the complexes between the template and different functional monomers.
This computational design is based on the comparison of stabilization energies of the prepolymerization adducts between the template and different functional monomers.
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