Oxidation reactions by radicals constitute a very important class of chemical reactions in solution. Radiation Chemistry methods allow producing, in a controlled way, very reactive oxidizing radicals, such as OH•, CO₃•-, NO₃•, SO₄•-, and N₃•. Although the radical cation of water, H₂O•+, with a very short lifetime (shorter than 1 ps) is the precursor of these radicals in aqueous solutions, its c...

The applications of molecular surface chemistry in heterogeneous catalyst technology, semiconductor-based technology, medical technology, anticorrosion and lubricant technology, and nanotechnology are highlighted in this perspective. The evolution of surface chemistry at the molecular level is reviewed, and the key roles of surface instrumentation developments for in situ studies of the gas-sol...

Ionic liquids, as reaction media, and sonochemistry are two recently developing fields of chemistry that present some similarities. Firstly, they constitute separately unconventional approaches to reaction chemistry that, in many cases, generate improvements in yield, rate and selectivity compared to classical chemistry, or even change the mechanisms or products expected. In addition, both are ...

Serum diphenylamine reactions were performed in 156 patients, medical and surgical. On the surgical side, serum diphenylamine reactions were evaluated in 50 patients before operation and on the 7th and 12th postoperative days. The diphenylamine reaction was revealed as a determination of serum sialo-mucoprotein level. The above cases justify the assumption that the serum diphenylamine reaction ...

While structures and reactivities of many small molecules can be computed efficiently and accurately using quantum chemical methods, heuristic approaches remain essential for modeling complex structures and large-scale chemical systems. Here, we present a heuristics-aided quantum chemical methodology applicable to complex chemical reaction networks such as those arising in cell metabolism and p...

Computational chemistry has become important in organic synthesis as it provides a detailed understanding of molecular structures and properties reaction mechanisms.

The reaction path is an important concept of theoretical chemistry. We employ the definitions of the intrinsic reaction coordinate (IRC), the gradient extremal (GE), and the Newton trajectory (NT). The usual imagination in chemistry is that a minimum energy path is in a convex region of the potential energy surface. We describe different schemes of convexity to handle the situation. It comes ou...

Excited-state chemistry is usually ascribed to photo-induced processes, such as fluorescence, phosphorescence, and photochemistry, or to bio- and chemiluminescence, in which light emission originates from a chemical reaction. A third class of excited-state chemistry is, however, possible. It corresponds to the photochemical phenomena produced by chemienergizing certain chemical groups without l...

Catechol chemistry is used as a crosslinking tool abundantly in both natural organisms (e.g. mussels, sandcastle worms) and synthetic systems to achieve the desired mechanical properties. Despite this abundance and success, the crosslinking chemistry is still poorly understood. In this study, to simplify the system, yet to capture the essential chemistry, model compounds 4-methyl catechol and p...