DFT study on metal-mediated uracil base pair complexes

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Quantum-Chemical Study of a Water-Mediated Uracil-Cytosine Base Pair

Received Hydrogen bonding within base pairs is one of the decisive factors that determine structure and stability of nucleic acids. It is well-known, especially from RNA structures, that in addition to Watson-Crick base pairs non-canonical pairs can be formed. All of them have at least two direct standard hydrogen bonds (H-bonds). 1 Recently, however, base pairs with only one or even no direct ...

متن کامل

DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical

In order to elucidate the indirect effect by radiation on DNA base pairs, we investigate the mechanism for the attacking reaction of a hydroxyl radical (OH-radical) to the G-C and A-T base pairs, by the density functional theory (DFT) calculations. The effect of solvation on the mechanism is also revealed by performing the same DFT calculations under the continuum solvation approximation. We fi...

متن کامل

Sn(IV) Compounds Interaction with Metal-Schiff Base Complexes

The formation constants and Gibbs free energy for the interaction of RnSnClm (n = m = 2, R = Me, Ph, n-Bu or n = 4, m = 0, R = Ph) compounds as acceptors, with ML complexes (H2L = N,N'-bis(salicylidene)-2-aminobenzylamine (salabza-H2) and its derivatives, M = Mn2+ or Zn2+), as donors in N,N'-dimethylformamide (DMF) as solvent were studied. These parameters were measured by using UV-vis spectrop...

متن کامل

Spectrophotometric Study of New Schiff Base Complexes with Some Metal Ions in Methanol Solution

The complexation reactions between N,N'-3,6-dioxa-1,8-octanebis (salicylaldimine) [saldioxen(I)] and Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and Hg(II) were studied spectrophotometrically in methanol solution at 25 °C. The stoichiometry of the complexes were obtained as 2:1 and 1:1 sadioxen-metal ion using mole ratio method. The formation constants of the complexes were determined, a...

متن کامل

Relative Strand Orientation in a DNA Duplex Controls the Nuclearity of a Metal-Mediated Base Pair.

1,N6 -Ethenoadenine (ϵA) and cytosine (C) are able to form two different metal-mediated base pairs. When the glycosidic bonds are arranged in a cisoid manner (i.e., in antiparallel-stranded DNA), the ϵA:C mispair binds one AgI ion, leading to a mononuclear ϵA-AgI -C base pair that contains a synergistic hydrogen bond. In contrast, a transoid orientation of the glycosidic bonds (as found in para...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of Saudi Chemical Society

سال: 2017

ISSN: 1319-6103

DOI: 10.1016/j.jscs.2017.04.003