Theoretical study of the scalar coupling constants across the noncovalent contacts in RNA base pairs: the cis- and trans-Watson-Crick/sugar edge base pair family

Article Abstract:

The scalar coupling constants are correlated across the noncovalent contacts calculated for the cis- and trans-Watson-Crick/sugar edge (trans-WC/SE) RNA base pairs with the geometry of base to base and sugar to base hydrogen bonds. The base pairs within one isosteric subclass of the WC/SE binding patterns are shown to be separable according to the scalar couplings that have responded to local binding.

Hydrogen bonding, Hydrogen bonds, Chemical bonds

---

Mechanism of action of anticancer titanocene derivatives: An insight from quantum chemical calculations

Article Abstract:

The first quantum chemical effort dealing with the mechanism of action of anticancer titanocene derivatives is described. The results support the view that titanocene might dissociate prior to binding to DNA, and most likely the active agent responsible for the anticancer activity is [[Ti(H2O).sub.6].sup.4+].

Pharmaceutical Preparation Manufacturing, Pharmaceutical preparations, Anticancer Drugs, Chemotherapeutic Drugs, Usage, Antineoplastic agents, Density functionals, Density functional theory, Dissociation, Dissociation reactions, Chemical properties, Antimitotic agents

---

Sugar edge/sugar edge base pairs in RNA: Stabilities and structures from quantum chemical calculations

Article Abstract:

A study is conducted to provide an in-depth structure and stability analysis for the cis and trans sugar edge/sugar edge (SE/SE) base pairs. The results reveal a very significant role of the correlation component to the interaction energy in stabilizing the SE/SE pairing patterns.

Science & research, Research, Quantum theory, Quantum mechanics, RNA, Continuum mechanics

Similar abstracts:

• Abstracts: Theoretical studies of the tautomeric equilibria for five-member N-heterocycles in the gas phase and in solution
• Abstracts: Spectroscopic and electrochemical study of the adsorption of [Co(en)2Cl2]Cl on gamma-alumina: Influence of the alumina ligand on Co(super (III)/(II)) redox potential
• Abstracts: The composition and structure of Pd-Au surfaces. Modulation of molecular conductance induced by electrode atomic species and interface geometry
• Abstracts: Use of the [beta]-phase of poly(9,9-dioctylfluorene) as a probe into the interfacial interplay for the mixed bilayer films formed by sequential spin-coating
• Abstracts: Two-dimensional infrared spectra of the (super 13)C=(super 18)O isotopomers of alanine residue in an alpha-helix

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.