Geometric consequences of electron delocalization for adenine tautomers in aqueous solution
نویسندگان
چکیده
منابع مشابه
Photofragmentation in selected tautomers of protonated adenine.
The photofragmentation by UV excitation of selectively prepared 1(+) and 3(+) tautomers of protonated adenine is studied after excitation at a 266 and 263 nm wavelengths with two different experimental set-ups located in Seoul and Orsay. While the production of 1(+) tautomers with an electrospray ion source is now well accepted, calculations were used to ascribe the preparation of 3(+) tautomer...
متن کاملinvestigating the feasibility of a proposed model for geometric design of deployable arch structures
deployable scissor type structures are composed of the so-called scissor-like elements (sles), which are connected to each other at an intermediate point through a pivotal connection and allow them to be folded into a compact bundle for storage or transport. several sles are connected to each other in order to form units with regular polygonal plan views. the sides and radii of the polygons are...
Mechanism of one-electron oxidation of metformin in aqueous solution.
Hydroxyl free radical-induced oxidation of metformin was studied in aqueous solution as a function of the pH. Hydroxyl free radicals were generated by gamma radiolysis of water and the oxidation end-products were quantified by high-performance liquid chromatography coupled to mass spectrometry (HPLC/MS), as a function of the radiation dose. This work is a joint experimental and theoretical (DFT...
متن کاملObservation of electron-transfer-mediated decay in aqueous solution.
Photoionization is at the heart of X-ray photoelectron spectroscopy (XPS), which gives access to important information on a sample's local chemical environment. Local and non-local electronic decay after photoionization-in which the refilling of core holes results in electron emission from either the initially ionized species or a neighbour, respectively-have been well studied. However, electro...
متن کاملTitle: One-electron Oxidation of Phenol in Aqueous Solution
Outer-sphere oxidations of phenols are prominent candidates for concerted PCET reactions. When the oxidants lack basic sites there are fundamental questions about the participation of other proton acceptors. As a result, the aqueous oxidation of phenol by [IrCl6] is an important test case. In acidic media this reaction is inhibited by [IrCl6]. We have previously reported that the reaction can b...
متن کاملذخیره 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 Molecular Modeling
سال: 2014
ISSN: 1610-2940,0948-5023
DOI: 10.1007/s00894-014-2234-4