کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5417848 | 1506939 | 2008 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity A combined X-ray and theoretical study of flavonoid compounds with anti-inflammatory activity](/preview/png/5417848.png)
چکیده انگلیسی
The structure of 7,4â²-dimethoxy-3â²-acetylflavone (tithonin-Ac) has been determined by X-ray diffraction and its geometry is compared with optimized geometrical parameters obtained by means of density functional theory at the B3LYP/6-311++G(d,p) level of calculation. In addition, vertical ionization potential (IPv) and acidity for tithonin-Ac and two derivatives have been also calculated. Calculations of spin densities were also performed for the radical formed by the electron abstraction of other flavones. The unpaired electron is located on C3 carbon atom (21-25%).
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 862, Issues 1â3, 15 August 2008, Pages 16-20
Journal: Journal of Molecular Structure: THEOCHEM - Volume 862, Issues 1â3, 15 August 2008, Pages 16-20
نویسندگان
J. Lameira, C.N. Alves, L.S. Santos, A.S. Santos, R.H. de Almeida Santos, J. Jr., C.C. Silva, A.B.F. da Silva,