Notes

Recently, a microarray system designed from curated key aromatic catabolic gene families and key alkane degradation genes was designed
The collection of genes in the microarray can be exploited to indicate whether a given microbe or microbial community is likely to be functionally connected with certain degradative phenotypes, without previous knowledge of genome data. Herein, this microarray was applied to capture new insights into the catabolic capacities of copper-resistant actinomycete Amycolatopsis tucumanensis DSM 45259. The array data support the presumptive ability of the DSM 45259 strain to utilize single alkanes (n-decane and n-tetradecane) and aromatics such as benzoate, phthalate and phenol as sole carbon sources, which was experimentally validated by cultivation and mass spectrometry. Interestingly, while in strain DSM 45259 alkB gene encoding an alkane hydroxylase is most likely highly similar to that found in other actinomycetes, the genes encoding benzoate 1,2-dioxygenase, phthalate 4,5-dioxygenase and phenol hydroxylase were homologous to proteobacterial genes. This suggests that strain DSM 45259 contains catabolic genes distantly related to those found in other actinomycetes. Together, this study not only provided new insight into the catabolic abilities of strain DSM 45259, but also suggests that this strain contains genes uncommon within actinomycetes.

Experimental and Theoretical Study on Supramolecular Ionic Liquid (IL)-Asphaltene Complex Interactions and Their Effects on the Flow Properties of San Bartolo Atepehuacan, Gustavo A. Madero , México City , C.P. 07730 , México.A combined study for understanding the molecular interactions of asphaltenes with molecular species such as ionic liquids (ILs) comprised experimental measurements and computational numerical simulation calculations, using density-functional theory (DFT) with dispersion corrections, molecular dynamics (MD) calculations, and experimental rheological characterization of the heavy crude oils (HCOs), before and after doping with ILs, respectively. The main results show that ILs influence the asphaltenic dimer association by forming supramolecular complexes that modify the properties of crude oils such as viscosity and interfacial tension. The IL-cation and asphaltene-π ligand molecular interactions seem to dominate the interactions between ionic liquids and asphaltenes, where ILs' high aromaticity index induces a strong interaction with the aromatic hard core of asphaltenes.

Structural and Optical Properties of Subporphyrinoids: A TD-DFT Study.Houssiniere, 44322 Nantes, Cedex 3, France.Using ab initio approaches accounting for environmental effects, we investigate the ground- and excited-state properties of four subporphyrinoids: subporphyrin, subporphyrazine, tribenzosubporphyrin, and subphthalocyanine. We first show that the selected level of theory, that is DFT(PBE0), is able to reproduce the structure and NMR spectra of all compounds. The aromaticity of these four macrocyclic entities are next quantified and it is showed that these bowl-shape induced molecules present very strong aromatic characters. Next we analyze the spectral signatures of all four compounds using an approach going beyond the vertical approximation. The 0-0 energies are reproduced with a mean absolute deviation smaller than 0 eV, and the very good agreement obtained between experimental and theoretical band shapes allows us to unravel the vibronic contributions responsible to the specific band shapes of these subporphyrinoids.

Finally, we investigate a large series of substituted subporphyrins, demonstrate the quality of the trends that are obtained with theory and design new compounds Mesoporous gold and palladium nanoleaves from liquid-liquid interface: enhanced catalytic activity of the palladium analogue toward hydrazine-assisted room-temperature 4-nitrophenol reduction.The importance of an interfacial reaction to obtain mesoporous leafy nanostructures of gold and palladium has been reported. A new synthetic strategy involving 1,4-dihydropyridine ester (DHPE) as a potential reducing agent performs exceptionally well for the desired morphologies of both the noble metals at room temperature. 6-butyl-n-hydroxynaphthimide trifluoromethanesulfonic acid as a Catalyst in Organic Transformations in turn transforms into its oxidized aromatic form. The as-synthesized gold leaves exhibit high surface-enhanced Raman scattering activity with rhodamine 6G (R6G) due to their hyperbranched structure. It is worthwhile that as-synthesized porous architectures of palladium support the room-temperature hydrogenation of 4-nitrophenol (4-NP) by hydrazine hydrate (N2H4·H2O), reported for the first time. Furthermore, MPL exhibits exceptionally good catalytic activity toward electrooxidation of formic acid.

Therefore, an aromaticity driven synthetic technique achieves a rationale to design leafy nanostructures of noble metals from the liquid-liquid interface The conversion of furans into phosphinines.Mathematical Sciences, Nanyang Technological University, Singapore.The [4+2] cycloadducts between furan compounds and a methylenechlorophosphane pentacarbonyltungsten complex are converted into the corresponding 2-hydroxy- or X-ray crystal structure of the parent 2-phosphaphenol complex shows that the hydroxy substituent is coplanar with the ring and that the conjugation between the π lone pair of electrons on the oxygen atom and the ring leads to lengthening of the P-C(OH) bond.
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