Chemistry Central Blog

Research article    
Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes
Silvia Orlandi, Luca Muccioli, Matteo Ricci, Roberto Berardi, Claudio Zannoni
Chemistry Central Journal 2007, 1:15 (8 June 2007)
[Abstract] [Provisional PDF]

This article looks at the use of computer simulation techniques in investigating the effects on phase behaviour of triphenylenes and azatriphenylenes owing to changes of the charge distribution in the discotic core. In it, the authors conclude that the intermolecular electrostatic potential among the cores is fundamental in stabilizing/destabilizing columnar phases; in particular the triphenylene charge distribution stabilizes the columnar structure, while the azatriphenylene distribution suppresses its formation in favour of the nematic phase. It is envisaged, therefore, that the model could be successfully employed as the basis for coarse-grained level simulations of a wider class of triphenylene derivatives. The article brings new quantitative results to study of structure/properties relationship of discotic molecules and columnar supramolecular organisation.

Research article    
Characterization of Italian honeys (Marche Region) on the basis of their mineral content and some typical quality parameters
Marcelo E Conti, Jorge Stripeikis, Luigi Campanella, Domenico Cucina, Mabel B Tudino
Chemistry Central Journal 2007, 1:14 (7 June 2007)
[Abstract] [Provisional PDF]

This article looks at the characterization of three types of Italian honey - Acacia, Multifloral, Honeydew - on the basis of their mineral content and other parameters (pH, sugar content, humidity). Pattern recognition methods such as principal components analysis (PCA) and linear discriminant analysis (LDA) were performed in order to classify the honey samples whose botanical origins were different, and identify the most discriminant parameters. Lastly, using ANOVA and correlations for all parameters, significant differences between diverse types of honey were examined.