Current Organic Chemistry - Volume 17, Issue 23, 2013

The ability to derive colored representations of widely employed distance-based topological indices from chemical reactivity electronegativity and chemical hardness has been developed in the novel theoretical tool presented in this work to provide novel, meaningful topo-reactive or structure-reactivity indices with application to polycyclic aromatic hydrocarbons (PAHs). The model, which combines topological and ab initio mole Read More

The successful synthesis of different polyacenes including theoretical assessment on the stability of larger acenes are discussed. The existence of favorable aromaticity criterion in polyacenes is understood in terms of different aromaticity indicators like nucleus independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), bond resonance energy (BRE). Clar's Π- sextet rule is also very much effective Read More

Due to the current increasing interest in extended nanosystems, such as fullerenes and graphenes, based on fundamental organic systems, polycyclic aromatic hydrocarbons (PAHs) have been recognized as highly important structures. PAHs are important because they comprise a benchmark structure for iteratively generating nanostructures and directly produce metabolites with a toxicological impact that has not Read More

Polycyclic Aromatic Hydrocarbons (PAHs) have been the focus of great attention for a long time owing to their impact on public health and the environment. In this article we overview various QSAR studies on PAHs and some derivatives, that have been developed during the last decade by different authors. Several properties of broad interest are analyzed, such as carcinogenesis, mutagenicity, biocatalytic oxidation, photot Read More

The central nervous system is endowed with complex mechanisms of defense. However, these protection mechanisms fail in the presence of risk factors such as genetic mutations, environmental factors (bisphenol A, polycyclic aromatic hydrocarbons (PAHs), polyfluoroalkyl chemicals) or social stress and psychiatric disorders (anxiety, depression, psychosis, attention deficits) appear. Critical psychiatric conditions treatment consi Read More

Mass spectrometry (MS) is one of the key analytical technology on which the emerging “-omics” approaches are based. It may provide detection and quantization of thousands of proteins and biologically active metabolites from a tissue, body fluid or cell culture working in a “global” or “targeted” manner, down to ultra-trace levels. It can be expected that the high performance of MS technology, coupled to routine data Read More

Ytterbium triflate, Yb(OTf)3, is a versatile Lewis acid that has high catalytic activity in many organic reactions, including aldol, Michael, Mannich, Friedel-Crafts, Diels-Alder, and some other types of reactions. Less than 10 mol% of Yb(OTf)3 is normally sufficient for most organic transformations and can be recovered and re-used without loss of catalytic activity. In addition, Yb(OTf)3 is very stable and its catalyzed Read More

Rapid and efficient methods using no-carried-added [18F]fluoride as the source of fluorine-18 for nucleophilic aromatic fluorination play an important role in the development of new radiopharmaceuticals for positron emission tomography (PET). Molecules that bear electron-rich aromatic moieties are especially difficult to label by direct single-step nucleophilic no-carrier-added radiofluorination. Classical Balz-Schi Read More