Degree sequence measurements on graphs have attracted a lot of research interest in recent decades. Multiplying the degrees adjacent vertices graph Ω provides multiplicative first Zagreb index graph. In context theory, generalized is defined as product sum αth powers vertex Ω, where α real number such that α≠0 and α≠1. The focus this work extremal for several classes including trees, unicyclic,...

The local aromaticity of a series of benzenoid systems was determined through the use of structurally (HOMA) and magnetically (NICS) based measures, and also by using a new electronically based indicator of aromaticity, the para-delocalization index (PDI). The results were compared with the predictions of Clar’s aromatic -sextet rule. It is found that, for all analyzed benzenoid hydrocarbons ha...

In vivo stable isotope labeling and computer-assisted metabolic flux analysis were used to investigate the metabolic pathways in petunia (Petunia hybrida) cv Mitchell leading from Phe to benzenoid compounds, a process that requires the shortening of the side chain by a C(2) unit. Deuterium-labeled Phe ((2)H(5)-Phe) was supplied to excised petunia petals. The intracellular pools of benzenoid/phe...

Chemical structures of organic compounds are characterized numerically by a variety of structural descriptors computed either from the molecular graph or from the three-dimensional (3D) molecular geometry. Extensive use of such structural descriptors or topological indices has been made in drug design, screening of chemical databases, similarity and diversity assessment, and quantitative struct...

A new parameter, related to and easily determined from the structure of a benzenoid system and that of a phenylene – the number of inlets (r) – is introduced. The connectivity (Randi}) index of both benzenoid systems and phenylenes is then shown to depend solely on the number of vertices and on r. A simple relation is established between the connectivity index of a phenylene and of the correspo...

Topological indices are numerical quantities associated with the molecular graph of a chemical structure. These used to predict various properties structures. Imbalance-based analysis is an advanced technique for compounds irregular characteristics. The graphs zigzag benzenoid systems <m...

Floral volatile benzenoid/phenylpropanoid (FVBP) biosynthesis is a complex and coordinate cellular process executed by petal limb cells of a Petunia×hybrida cv. 'Mitchell Diploid' (MD) plant. In MD flowers, the majority of benzenoid volatile compounds are derived from a core phenylpropanoid pathway intermediate by a coenzyme A (CoA) dependent, β-oxidative scheme. Metabolic flux analysis, revers...

Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarbons: (a) TRE is roughly linear function of the number of Kekule structures, and (b) in a homologous series containing a linear polyacene fragment, TRE is a linear function of the length of this fragment. In certain cases, however, the TRE model leads to incorrect predictions. There exist pairs of...

Fluoranthenes are polycyclic conjugated molecules consisting of two benzenoid fragments, connected by two carbon–carbon bonds so as to form a five-membered ring. Fluoranthenes possessing Kekulé structures are classified into three types, depending on the nature of the two carbon–carbon bonds connecting the two benzenoid fragments. Either both these bonds are essentially single (i. e., single in...