S-NICS Investigation for Heterocyclic Anticancer Compounds

Mohammadian, Nayyer T.; Zare, Karim; MONAJJEMI, Majıd

doi:10.13005/ojc/330402

S-NICS Investigation for Heterocyclic Anticancer Compounds

Yazarlar (3)

Nayyer T. Mohammadian Islamic Azad University, Science And Research Branch, İran

Karim Zare Islamic Azad University, Science And Research Branch, İran

Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran

Makale Türü	Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı	Oriental Journal of Chemistry
Dergi ISSN	0970-020X Wos Dergi Scopus Dergi
Makale Dili	İngilizce	Basım Tarihi	08-2017
Cilt / Sayı / Sayfa	33 / 4 / 1595–1602	DOI	10.13005/ojc/330402
Makale Linki	http://www.scopus.com/inward/record.url?eid=2-s2.0-85031908328&partnerID=MN8TOARS

Özet

There are no works in theoretical of a statistical method of NICS-nucleus independent chemical shift for study of heterocyclic rings, since the asymmetry¹⁵ (h) and skew¹⁵ (k) parameter is fluctuated in small distance and are alternate in large distance in the center of heterocyclic rings . Through changing the asymmetries among 0< _h< +1 skew¹⁵ could be changed in the range of -122 = siso ¹⁵. In position of axially-symmetric tensors, ó22 equals¹⁵ either s11 or s33, skews are k=±1. In this study, we have investigated the statistical methods through nucleus-independent chemical shifts-SNICS calculations in view point of Bq motions in the center of sphere spaces of heterocyclic rings. In our previous work¹⁵, it has been exhibited that S-NICS method is an accurate method for estimation the amount of aromaticity in the non-benzene¹⁵ rings similar heterocyclic rings which are popular molecules in organic chemical compounds as anti-cancer disease. Although NICS values for benzene and naphthalene and so on can be indicated as aromaticity criterion, for other molecules such as heterocyclic rings and their derivatives, S-NICS values are much more accurate compare to NICS index.

Anahtar Kelimeler

Heterocyclic anticancer compounds | NICS | S-NICS

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Web of Science	4
Scopus	3

S-NICS Investigation for Heterocyclic Anticancer Compounds

Dergi Adı	Oriental Journal of Chemistry
Yayıncı	Oriental Scientific Publishing Company
Açık Erişim	Hayır
ISSN	0970-020X
E-ISSN	2231-5039
CiteScore	1,1
SJR	0,164
SNIP	0,675

S-NICS Investigation for Heterocyclic Anticancer Compounds

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