On Cullen numbers which are both Riesel and Sierpiński numbers

We describe an algorithm to determine whether or not a given system of congruences is satisfied by Cullen numbers. We use this algorithm to prove that there are infinitely many Cullen numbers which are both Riesel and Sierpiński. (Such numbers should be discarded if you are searching prime numbers with Proth?s theorem.)     

Analysis of the antioxidant activity of an indole library: cyclic voltammetry versus ROS scavenging activity

The electrochemical behavior of an indole library of compounds, including several tryptophan and tryptamine derivatives previously demonstrated to be active against several reactive oxygen species (ROS), was investigated. For this purpose, a voltammetry study was undertaken and the oxidation potential was correlated to the scavenging activity reported for the studied indoles. All the compounds showed an oxidation potential peak lower than that observed for indole (Epox = 1.035 V), but higher than that described for the antioxidant melatonin (Epox = 0.715 V). The electrochemical behavior showed a high correlation with the scavenging activity of peroxyl radical, for selected compounds.     

Unexpected reactivity of trifluoromethylated olefins with indole: a mechanistic investigation

Several trifluoromethylated compounds were reacted with indole sodium salt, leading to monofluorinated compounds. The unexpected products formation was rationalized by DFT calculations.     

Hydrogen‐bonding controls the solid‐state and enantiomeric comformations of the amino alcohol ligand 2‐[(2‐hydroxyethyl)amino]cyclohexanol

The crystal structure of the title compound, C₈H₁₇NO₂, consists of (R,R) and (S,S) enantiomeric pairs packed in adjacent double layers which are characterized by centrosymmetric hydrogen‐bonded dimers, generated via N—H...O and O—H...O interactions, respectively. Intermolecular interactions, related to acceptor and donor molecule chirality, link the achiral double layers into tubular columns, which consist of a staggered hydrophilic inner core surrounded by a hydrophobic cycloalkyl outer surface and extend in the [011] direction.     

Vibrational analysis of d-PCL(530)/siloxane-based hybrid electrolytes doped with two lithium salts

The present study has been focused on environmentally friendly sol–gel-derived electrolytes based on a di-urethane cross-linked d-PCL(530)/siloxane network [where d represents di, PCL identifies the poly(ε-caprolactone) biopolymer, and 530 is the average molecular weight in grams per mole] doped with a wide range of concentration of lithium perchlorate and lithium bis(trifluoromethanesulfonyl)imide. Fourier Transform Infrared and Raman spectroscopies have been applied to evaluate the extent of ionic association. Characteristic bands of the PCL(530) segments, of the urethane cross-links, and of the anions have been examined to gain insight into the cation/biopolymer, cation/anion, and cation/cross-link interactions. In both electrolyte systems, “free” ions and contact ions have been identified. The addition of salt modifies the hydrogen-bonded array of the host matrix, causing the destruction/formation of the urethane/urethane aggregates.     

Thermal analysis of hair treated with oxidative hair dye under influence of conditioners agents

This research aimed the effect on Caucasian hair tresses treated with oxidative hair dye, either incorporated or not with conditioners agents, analyzed by Differential Scanning Calorimetry (DSC) and Thermogravimetric analysis (TG). The formulations of hair dyes were emulsions oil-in-water with light blond color containing or not the conditioners agents: silanetriol and panthenol; PEG-12 dimethicone; hydrolyzed silk, hydrolyzed milk protein, and lactose. Each dye (1.5 g) was applied in the hair tress (2.0 g/20.0 cm of length of Caucasian light-brown), previously treated, more 1.5 g of hydrogen peroxide 20 vol during 40 min. Evaluation of mass loss of the different hair sample demonstrates that these chemical hair treatments impair the hair fibers, reduced their moisture content with respect to the untreated hair. The incorporation of conditioners agents (silanetriol and panthenol; PEG-12 dimethicone; hydrolyzed silk, hydrolyzed milk protein, and lactose) in oxidative hair dyes types did not decrease the damage caused on the tresses by the coloring process quantified by TG/DTG. However, the DSC curves demonstrated those conditioners agents (silanetriol and panthenol; PEG-12 dimethicone) dislocated the beginning of the third event in 20 °C and they inhibited the presence of the fourth event, having characterized thermal protection to the hair.     

Niobium oxide solid catalyst: esterification of fatty acids and modeling for biodiesel production

Biodiesel can be obtained from fatty acid raw materials through esterification. The reactivity of lauric, palmitic, stearic, oleic, and linoleic fatty acids with methanol using powdered niobic acid as a heterogeneous catalyst was investigated in this work, both experimentally (in a batch reactor) and theoretically. A 2³ experimental design was used, with methanol/fatty acid molar ratio, catalyst concentration, and temperature as main factors. An empirical model demonstrated that temperature is the most important variable. Fourteen heterogeneous and 56 homogeneous‐like kinetic models were tested. A homogeneous‐like model considering zero order for all species and inhibition by water was the most adequate for experiments without catalyst. A homogeneous‐like model considering a second‐order reaction in relation to the fatty acid and no water inhibition was the most adequate for niobic acid catalyzed reaction. Molecular modeling confirmed the experimental results showing that the reactivity is directly related to the increase of unsaturated bonds and the reduction of carbon chain length. The polarity of the fatty acid is determinant in the reactivity. At the molecular level, reaction occurs between the HOMO orbital of methanol and LUMO orbitals of fatty acids and reactivity is higher when the energy difference between these orbitals is lower. Copyright © 2010 John Wiley & Sons, Ltd.     

Hydro­gen bonding in 2-(hydroxy­methyl)-1,3-propane­diol and N,N′-bis­[2-hydroxy-1,1-bis­(hydroxy­methyl)­ethyl]­malon­amide

The mol­ecule of 2-(hydroxy­methyl)-1,3-propane­diol, C₄H₁₀O₃, lies across a mirror plane in space group P2₁/m, with disorder of both terminal hydroxyl H atoms. The molecules are linked by three O—H⋯O hydrogen bonds which combine to form sheets; in each O—H⋯O bond, the H atom resonates between the two O atoms. In the crystal structure of N,N′-­bis­[2-hydroxy-1,1-bis­(hydroxy­methyl)­ethyl]­malon­amide, C₁₁H₂₂N₂O₈, the molecule lies about a twofold axis and has four strong hydrogen bonds which form a mixture of chains and dimers; these combine to give a three-dimensional supramolecular framework.