Aspartamın yapay reseptörlere dayalı moleküler baskılı polimerleri ve moleküler modellenmesi
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Dosyalar
Tarih
2018
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Namık Kemal Üniversitesi
Erişim Hakkı
info:eu-repo/semantics/openAccess
Özet
Moleküler baskılı polimerlerin (MIP), biyoanalizde ve kromatografide, antikorların ve enzimlerin yerini alacağı düşünülmektedir. Her ne kadar afiniteleri ve katalitik aktiviteleri biyolojik moleküller kadar yüksek olmasa da, yakın zamanlarda başarılı uygulamaları da mevcuttur. Bu çalışmanın temel hedefi, aspartam MIP’i hazırlamak üzere aspartam ve o-fenilendiamin ön polimerizasyon kompeksinin modellenmesidir. Teorik inceleme için, aspartam ve o-fenilendiamin GaussView 5.0 ile çizilmiş ve hesaplamalar Gaussian 09W paket programında yapılmıştır. Kuantum mekaniksel hesaplamalar gaz fazında yoğunluk fonksiyoneli teorisi, DFT/B3LYP/6-31G* yöntemi kullanılarak yapılmıştır. Her iki molekülün optimum geometrik parametreleri, termodinamik ve elektronik özellikleri hesaplanmıştır. Ayrıca ön denemelerde, hesaplamalardaki aspartam: o-fenilendiamin oranı kullanılarak elektropolimerizasyonla MIP’ler direkt camsı karbon elektrot yüzeyinde hazırlanmıştır. MIP’ler indirekt olarak, döngüsel voltametri yöntemiyle redoks belirteci ferrisiyanür çözeltisi kullanılarak incelenmiştir.
Molecularly imprinted polymers have been (MIP) have been expected to substitute antibodies and enzymes in bioanalysis and chromatography. The affinity and catalytic activity of MIPs are in general well below of the biological counterparts. However, recently successful examples have been presented. The main focus of this work is the modelling of the prepolymerization complex between aspartame and the functioanal monomer o-phenylenediamine for the preparation of an aspartame MIP. For theoretical analysis, the aspartame and o-phenylenediamine molecules were drawn with GaussView 5.0 and calculations were performed with Gaussian 09W packet program. Quatum mechanical calculations were performed in gase phase by using Density Functional Theory (DFT), DFT/B3LYP/6-31G*. Optimum geometry of the both molecules, thermodynamic parameters and electronic properties were calculated. Furthermore, preliminary experiments were performed with ratio of aspartame: o-phenylenediame, which was used for the calculations. MIPs were directly prepared on the surface of glassy carbon electrode by electropolymerisation. They were investigated indirect by cyclic voltammetry using ferricyanide as a redox marker.
Molecularly imprinted polymers have been (MIP) have been expected to substitute antibodies and enzymes in bioanalysis and chromatography. The affinity and catalytic activity of MIPs are in general well below of the biological counterparts. However, recently successful examples have been presented. The main focus of this work is the modelling of the prepolymerization complex between aspartame and the functioanal monomer o-phenylenediamine for the preparation of an aspartame MIP. For theoretical analysis, the aspartame and o-phenylenediamine molecules were drawn with GaussView 5.0 and calculations were performed with Gaussian 09W packet program. Quatum mechanical calculations were performed in gase phase by using Density Functional Theory (DFT), DFT/B3LYP/6-31G*. Optimum geometry of the both molecules, thermodynamic parameters and electronic properties were calculated. Furthermore, preliminary experiments were performed with ratio of aspartame: o-phenylenediame, which was used for the calculations. MIPs were directly prepared on the surface of glassy carbon electrode by electropolymerisation. They were investigated indirect by cyclic voltammetry using ferricyanide as a redox marker.
Açıklama
Anahtar Kelimeler
Aspartam, O-fenilendiamin, Moleküler baskılı polimerler, DFT, Aspartame, o-phenylenediamine, Molecularly Imprinted Polymers
