The physical reason for aromaticity/antiaromaticity was determined. The conclusion was reached after interpreting Hobey's mathematical results that were given in the study of the energy difference between the one-dimensional linear and cyclic particles-in-a-box models. We first revealed that the Huckel theory and particles-in-a-box model are simply different ways of solving the same Schr6dinger...

Review on enzyme promiscuity and opportunities for engineering http://www.weizmann.ac.il/Biological_Chemistry/scientist/ Tawfik/papers/(109)BarEven_CoOpBiot_2013.pdf This review article discusses a number of enzymes with broad specificity in the context of enzyme promiscuity. Soluble methane monooxygenase: KEGG database http://www.genome.jp/dbget-bin/ www_bget?ec:1.14.13.25 Soluble methane mono...

Mixtures of cyclohexane and cyclohexene are investigated by means of all-atom molecular dynamics simulations. Thermodynamic properties (density, enthalpy of vaporization), transport coeecients (diierent diffusion coeecients, reorientation times), and structural properties (radial distribution functions) were calculated for seven diierent compositions and compared to experimental results where a...

Aromatics and cyclic-hydrocarbons are the significant components of jet fuel with high energy-density. However, conventional technologies for bio-fuel production cannot produce these products without further aromatization and isomerization. In this work, renewable liquid fuel with high content of aromatics and cyclic-hydrocarbons was obtained through aqueous catalytic conversion of biomass sorb...

Gas chromatographic retention data on 107 terpene hydrocarbons from the literature together with other data have been used to obtain a set of Abraham descriptors for these 107 compounds. For 88 aliphatic cyclic terpene hydrocarbons, a fragmentation scheme was constructed that allows key descriptors to be estimated just from structure. The total set of descriptors, including those estimated by t...

Whereas many studies have been reported on the reactions of aliphatic hydrocarbons, the chemistry of cyclic hydrocarbons has not been explored extensively. In the present work, a theoretical study of the gas-phase unimolecular decomposition of cyclic alkyl radicals was performed by means of quantum chemical calculations at the CBS-QB3 level of theory. Energy barriers and high-pressure-limit rat...

Modern biotechnology is well thought-out one of the potential technology of the current century to support the sustainable development. By the use of genetic engineering we can create genetically modified organisms which can potentially degrades various types of poly cyclic hydrocarbons (PAHs). However, there are few successes but now days it is developing very fast. So, we can apply the modern...

The competitive activation of C-H bonds of linear, cyclic, and branched hydrocarbons using the coordinatively unsaturated 16-electron [Tp'RhL] reactive fragment have been studied (Tp' = tris-(3,5-dimethylpyrazolyl)borate; L = CNCH2CMe3). Activation of the hydrocarbons leads to the formation of Tp'Rh(L)(R)(H) alkyl complexes, which were converted to the stable chlorides immediately following the...