Sentezlenen Yeni Ni (II) Komplekslerinin Spektroskopik ve antifungal özelliklerinin İncelenmesi

Year 2020, Volume: 7 Issue: 100. Yıl Özel Sayı, 198 - 216, 23.03.2020

Tuncay Karakurt , Ayşen Alaman Ağar , Seher Meral Abdurrahman Onaran

https://doi.org/10.35193/bseufbd.603561

Abstract

Bu çalışmada, 6,6'-((1E,1'E)-(propan-1,3-diilbis(azanyiliden))bis(fenilmetaniliden))bis(3
(oktiloksi)fenol) (HL1) ve 6,6’-((1E,1’E)-(etan-1,2 diilbis(azanyiliden))bis(fenilmetanyiliden))bis(3-oktiloksi)fenol)
(HL2) ligandları  ile Ni metal atomunun
iki farklı kompleksi hazırlanarak FT-IR ve Uv-Vis spektroskopik  yöntemleri ile karakterize edilmiştir. İki
komplex yapının (HL1Ni ve HL2Ni ) deneysel olarak antifungal
aktivite çalışmaları yapılmıştır. Bu çalışmada, Rhizoctonia solani ve Fusarim
oxysporum f.sp radicis-lycopersici (FORL) bitki patojenlerine karşı, HL1Ni ve HL2Ni
komplekslerinin in vitro koşullar altında etkinlik çalışmaları yürütülmüştür. Etkinliği
belirlenen bileşiklerin doz miktarına göre test edilen patojenlere karşı orta
ve yüksek düzeyde aktivite sergilediği belirlenmiştir. Ayrıca Komplex yapıların
moleküller arası etkileşimlerin
daha iyi anlaşılabilmesi amacıyla da bileşiklerin, HOMO-LUMO orbitalleri teoriksel
olarak elde edilmiştir. Son olarak da moleküler doking çalışması ile
reseptör-ligant etkileşimleri simüle edilmiştir. Bu hesaplama sonucunda bileşiklere ait affinite değerleri (Doking
skoru) sırasıyla -6.9 ve -6.4 kcal/mol olarak hesaplanmıştır. Doking skoru ile kompleks yapıların HOMO
orbital enerjilerinin birbirleri ile ilişkili olduğu gözlenmiştir.

Keywords

DFT, HOMO-LUMO, Moleküler Doking

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