The antiradical activity of 5-amino-6-methyluracil in the initiated radical-chain oxidation of 1,
4-dioxane as a model system was studied quantitatively. The rate constant k 7 of its reaction …

Ionization of ethylene, butadiene, hexatriene, and octatetraene by short, intense laser pulses
was simulated using the time-dependent single-excitation configuration-interaction (TD-CIS) …

The uncatalyzed Gosteli− Claisen rearrangement of four double bond isomeric allyl vinyl
ethers has been studied at the B3LYP/6-31G* and B3LYP/6-31G*+ PCM levels of theory …

Noncovalent functionalization of graphene by carbohydrates such as β-cyclodextrin (βCD)
has the potential to improve graphene dispersibility and its use in biomedical applications …

The molecular structure of 4-methylpiridine-N-oxide, 4-MePyO, has been studied by gas-
phase electron diffraction monitored by mass spectrometry (GED/MS) and quantum …

Sonogashira coupling of diacetyl 5‐ethynyl‐2′‐deoxyuridine with diacetyl 5‐iodo‐2′‐
deoxyuridine gave the acylated ethynediyl‐linked 2′‐deoxyuridine dimer (3 b; 63%), which …

The interaction of imidazolium-based ionic liquids with α-and β-cyclodextrins was
investigated by electrospray ionization mass spectrometry with variable collision induced …

Previous experimental and theoretical work has established that electronic excitation of a
guanine cation radical in nucleosides or in DNA itself leads to sugar radical formation by …

The existence of numerous unsaturated π bonds on surface of nanotubes is hopeful for
effective chemical functionalization. Recently, the dichlorocarbene (CCl 2)-functionalization …

Key molecular properties are calculated for the 8 most common aflatoxins at the B3LYP/6-
31+ G (d, p) level. Special attention is given the possibility of aflatoxins to generate reactive …