Theoretical Investigation of Chemical Activity of Oleuropein Being Active Olive Ingredien

Yıl 2017, Cilt: 29 Sayı: 2, 77 - 81, 23.07.2017

Faik Gökalp

https://doi.org/10.7240/marufbd.329912

Cited By: 1

Öz

The
thermodynamic properties of oleuropein, an important active ingredient in
oleaginous fruits and their leaves, which are bitter in olive fruits of olives,
are reactive against the radicalic structure with the use of chemical activity
parameters (ΔG, HOMO, LUMO, ΔHOMO-LUMO and dipole moment) to determine if it is
not to give direction to the experimental work to be done about it. The RHF
method was used as the calculation method. These methods and chemical activity
by determining the exact optimize geometric structures of the compounds using
the base set. . The calculations have benefited from the Gaussian09W package
program. The reason why we choose this method is that it is a very important
and preferable method to see the properties of our molecules in a short time
theoretically, that is, to prevent matter and time loss. Another important
factor is antioxidant thymol; Oleuropein phenolic structures suggest that it is
unstable, prone to react, particularly susceptible to reaction against the
radicalic structure. As a result; we can report that DFT and HF calculations were made. With the light of the data we
obtained; it is unstable due to the phenolic structure, is prone to react
destroying the cell structure and metabolism of harmful microorganisms. It can
be said to be effective as antimicrobials

Anahtar Kelimeler

Oleuropein, thymol, RHF

Zeytin Etken Maddesi Olan Oleuropein’in Kimyasal Aktivitesinin Teorik Olarak Araştırılması

Öz

Bu çalışmanın
amacı: zeytinin yapraklarında, olgunlaşmamış meyvelerinde bulunan ona acı tadı
veren oleuropein ile önemli bir etken madde olan timolün termodinamiksel
özellikleri, kimyasal aktiflik parametrelerinin (∆G, HOMO, LUMO, ∆(HOMO-LUMO),
dipol moment) hesaplanmasıdır. Ayrıca bu değerlerin karşılaştırmasıyla birlikte
radikalik yapılara karşı reaktif olup olmadıklarının tespit edilerek bununla
ilgili yapılacak deneysel çalışmalara yön verilmesidir. Hesaplama yöntemi olarak RHF yöntemi kullanılmıştır. Bu yöntemler
ve temel küme kullanılarak bileşiklerin tam optimize geometrik yapıları
belirlenerek kimyasal aktivitesi değerlendirilmiştir. Hesaplamalarda Gaussian09W
paket programından yararlanılmıştır. Bu yöntemi seçmemizin nedeni; molekülümüzün
özelliklerini kısa sürede teorik olarak görmek, diğer yandan madde ve zaman
kaybını önlemesi açısından oldukça önemli ve tercih edilebilir bir yöntem
olmasıdır. Diğer önemli bir etken antioksidan madde olan timol ile
karşılaştırıldığında;  Oleuropeinde ki fenolik yapılardan dolayı
kararsız özellikle radikalik yapılara karşı reaksiyon vermeye yatkın olduğu
görülmektedir. Sonuç olarak; Oleuropein’in RHF ile yapılan hesaplamalarından
elde edilen veriler ışığında;  fenolik
yapılardan dolayı kararsız, reaksiyon vermeye yatkın olduğunu ve metabolizmada
zararlı mikroorganizmaların hücre yapısını bozarak antimikrobiyal etkili
olacağı söylenebilir.

Anahtar Kelimeler

Oleuropein, timol, RHF

Kaynakça

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