TD-DFT Study on the Toxicity Prediction of Thiopental Sodium

Emine TANIŞ

Makale detayları

TD-DFT Study on the Toxicity Prediction of Thiopental Sodium

Yazarlar:

Emine TANIŞ

Yayıncı:

Niyazi BULUT

Ana Başlıklar:

Fizik

Dergi:

Journal of Physical Chemistry and Functional Materials 2018 Vol.1 Issue 2, pp.36-42

Belge Tipi:

Makale

Yayın Tarihi:

11/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000492835

Sıklık:

İki Yıllık

eISSN:

2651-3080

pISSN:

2651-3080

Özet:

 


In
this study, Thiopental sodium investigated natural toxicity and reactivity at
the TD-DFT/CAM-B3LYP level, theoretically. Using the Parr formula, the
interaction between 4- thiopental sodium molecule and nucleic
acid (NA) bases (adenine, thymine, cytosine,uracil and guanine) were
investigated. Charge transfer that are important in the formation of chemically
bonded adducts causing cancer are quantitatively calculated. Our results show
that thiopental sodium has low toxicity with calculations of reactivity
descriptors.


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Makale detayları

TD-DFT Study on the Toxicity Prediction of Thiopental Sodium

Yazarlar: Emine TANIŞ

Yayıncı: Niyazi BULUT

Ana Başlıklar: Fizik

Dergi: Journal of Physical Chemistry and Functional Materials 2018 Vol.1 Issue 2, pp.36-42

Belge Tipi: Makale

Yayın Tarihi: 11/2018

Belge Dili: İngilizce

Document ID (Org No.): 2000492835

Sıklık: İki Yıllık

eISSN: 2651-3080

pISSN: 2651-3080

Sayı

Yazarlar:

Emine TANIŞ

Yayıncı:

Niyazi BULUT

Ana Başlıklar:

Fizik

Dergi:

Journal of Physical Chemistry and Functional Materials 2018 Vol.1 Issue 2, pp.36-42

Belge Tipi:

Makale

Yayın Tarihi:

11/2018

Belge Dili:

İngilizce

Document ID (Org No.):

2000492835

Sıklık:

İki Yıllık

eISSN:

2651-3080

pISSN:

2651-3080