Based on density functional theory calculations, we here show that the formation of a fullerene C60 carbon "nanobud" (CNB) on carbon nanotube (CNT) caps is energetically more favorable than that on CNT sidewalls. The dominant CNB formation mode for CNT caps is found to be the [2 + 2] cycloaddition reaction as in the conventional CNT sidewall case. However, it is identified to be exothermic in c...

This paper presents a theoretical formulation for electron transfer coupled to the motion of multiple protons. This theory is applied to proton-coupled electron transfer ~PCET! through amidinium– carboxylate salt bridges, where the electron transfer reaction is coupled to the motion of two protons at the proton transfer interface. The rate for the donor–~amidinium–carboxylate!–acceptor system i...

The reactions of Sc+ and Ti+ with D20 are studied as a function of translational energy in a guided ion beam tandem mass spectrometer. Both ions react to form three ionic products: MD+, MO', and MOD'. MO+ formation occurs exothermically by dehydrogenation of D20, even though this reaction is spin forbidden for reaction of ground state M+ in both systems. In the titanium system, the effect of el...

A variety of chemical systems exhibit multiple reaction pathways that adjoin to a common reactant state. In fact, any reaction producing side products or proceeding via a stable intermediate involves a species possessing at least two reaction pathways. Despite improvements in ab initio transition-state search algorithms it remains difficult to detect multiple reaction pathways. Typically, multi...

Gabexate mesilate has been mainly used in the treatment of disseminated intravascular coagration (DIC) in Japan since 1983. Recently, several generic versions of injectable gabexate mesilate with or without d-mannitol as an additive have been put on the Japanese market. In our study, thermo gravimetry (TG) did not show any differences between gabexate mesilate products with or without d-mannito...

Gabexate mesilate has been mainly used in the treatment of disseminated intravascular coagration (DIC) in Japan since 1983. Recently, several generic versions of injectable gabexate mesilate with or without d-mannitol as an additive have been put on the Japanese market. In our study, thermo gravimetry (TG) did not show any differences between gabexate mesilate products with or without d-mannito...

Body composition was measured and compared in Amphibolurus vitticeps and Rattus norvegicus (a reptile and a mammal with the same weight and body temperature). Homogenates were prepared from liver, kidney, brain, heart, lung, and skeletal (gastrocnemius) muscle, and mitochondria were isolated. Cytochrome oxidase activities of both tissue homogenates and isolated mitochondria were measured (at 37...

The dynamics of the deuteron-proton exchange D(+) + H(2) → HD + H(+) reaction on its ground 1(1)A' potential energy surface has been the subject of a theoretical study for collision energies below 1.5 eV. The results obtained with three theoretical approaches: quasi-classical trajectory (QCT), statistical quasi-classical trajectory (SQCT), and accurate time-independent quantum mechanical (QM) c...

Bimetallic Au –Pt catalysts supporting TiO2 were synthesised using two methods; sol immobilization and impregnation methods. The prepared catalyst underwent a thermal treatment process at 400◦ C, while the reduction reaction under same condition was done obtained identified with transmission electron microscopy (TEM) energy-dispersive spectroscopy (EDS). It has been found that have dimension ar...