Molecular disorder in (‒)-encecanescin.

(‒)-Encecanescin (1) has been isolated from the leaves of Eupatorium aschembornianum. Two conformers are present in the crystal structure as a result of molecular disorder. The structure of 1 was established by 1H- and 13C-NMR spectroscopy in CDCl3 solution using 2D NMR techniques (gHSQC, gHMBC and NOESY). A Monte Carlo random search using molecular mechanics followed by the geometry optimization of each minimum energy structure using density functional theory (DFT) calculations at the B3LYP/6-31G* level and a Boltzmann analysis of the total energies generated accurate molecular models describing the conformational behavior of 1. The three most stable conformers 2-4 of compound 1 were reoptimized at the B3LYP/6-311++G(d,p) level of theory using CHCl3 as a solvent. Correlations between the experimental 1H- and 13C-NMR chemical shifts (δexp) have been found, and the GIAO/B3LYP/6-311++G(d,p) calculated magnetic isotropic shielding tensors (σcalc) for conformers 2 and 3, δexp=a+b σcalc, are reported. A good linear relationship between the experimental and calculated NMR data has been obtained for protons and carbon atoms.

Waste from Persea schiedeana Fruits as Potential Alternative for Biodiesel Production.

Biodiesel is a mixture of monoalkyl esters of fatty acids derived from vegetable oils or animal fats. Agricultural residues are a potential source of raw materials for generating biofuels. The aim of this research was to determine the usefulness of Persea schiedeana Nees fruit as a potential source to be transformed into biodiesel by alkaline transesterification. In this sense, biodiesel was obtained using oil isolated from overripe fruits of P. schiedeana, damaged by the Heilipus lauri pest. The fruits were collected in the municipality of Huatusco, Veracruz, Mexico. The maceration of the fruits with hexane resulted in an oil with a high percentage of free fatty acids (8.36 ± 1.35%). The main components of the biodiesel were methyl oleate (53.12%) and methyl palmitate (25.74%). The dynamic viscosity of the biodiesel complies with ASTM D6751 and EN 14214 and the biodiesel blends with commercial diesel comply with ASTM D675, the calorific value showed an increase with increasing biodiesel concentration in the blends. This study demonstrates that the oil obtained from the overripe and surplus fruits of P. schiedeana is a viable feedstock for the production of a fuel to replace diesel.

Evaluation of different fermentation processes for use by small cocoa growers in mexico.

The aim of this research was to evaluate four different cacao (Theobroma cacao L.) fermentation conditions and their effect on fermented bean quality, in order to be able to recommend the most suitable condition to producers in the municipality of Huimanguillo, Tabasco, Mexico. Fermentations were carried out in square wooden boxes with capacity for 1000, 300, and 100 kg of fresh beans, as well as a rotary drum with capacity for 500 kg thereof. The fermentation process was carried out for 7 days, and the response variables measured were mass temperature, total soluble solids (TSS), pH, and acidity. The TSS were totally depleted after 2 days, during which time the yeasts transformed them into ethanol at temperatures of 25-35°C. The most notable temperature increase in the four treatments was 49°C on the third day, corresponding to a decrease in pH from 6.31 ± 0.40 to 4.76 ± 0.03 and an increase in acidity from 0.38 ± 0.04 to 1.17 ± 0.25 g kg(-1), due to the formation of organic acids. There were no significant differences among the four treatments (Tukey α = 0.05). The cut test showed that fermentation in 300- and 100-kg boxes and in the 500-kg rotary drum produced the same effect on fermentation quality, but the 1000-kg boxes exhibited lower quality (Tukey α = 0.05).

First seco-C oleananes from nature.

[structure: see text] The triterpenes 8,14-seco-oleana-8(26),13-dien-3beta-ol (1) and its acetyl derivative 2 were isolated from Stevia viscida and Stevia eupatoria, respectively. Their structures were elucidated by 2D NMR, including carbon-carbon connectivity experiments, and confirmed by X-ray diffraction analysis of ketone 3. The absolute configuration was determined by NMR analysis of the Mosher esters of 1. The biogenetic implications of the new substances are discussed.