11,13-Dehydroeriolin,schkuhrioidin and schkuhriolid,germacranolides from Schkuhria species

The isolation is reported of the new germacrolide, 11,13-dehydroeriolin, the new melampolide schkuhrioidin and schkuhriolide from Schkuhria schkuhrioides. 11,13-Dehydroeriolin is also a constituent of S. virgata. The structure and stereochemistry of the new compounds were established on chemical and spectroscopic grounds.     

Validating and improving elastic network models with molecular dynamics simulations

Elastic network models (ENMs) are a class of simple models intended to represent the collective motions of proteins. In contrast to all‐atom molecular dynamics simulations, the low computational investment required to use an ENM makes them ideal for speculative hypothesis‐testing situations. Historically, ENMs have been validated via comparison to crystallographic B‐factors, but this comparison is relatively low‐resolution and only tests the predictions of relative flexibility. In this work, we systematically validate and optimize a number of ENM‐type models by quantitatively comparing their predictions to microsecond‐scale all‐atom simulations of three different G protein coupled receptors. We show that, despite their apparent simplicity, well‐optimized ENMs perform remarkably well, reproducing the protein fluctuations with an accuracy comparable to what one would expect from all‐atom simulations run for several hundred nanoseconds. Proteins 2010. © 2010 Wiley‐Liss, Inc.     

Identifying recorder-induced geographic bias in an Iberian butterfly database

A database with comprehensive butterfly faunistic information from the Iberian Peninsula and the Balearic Islands was used to estimate inventory completeness as well as the environmental, spatial, and land-use effects on sampling intensities, on a 50×50 km UTM grid. The degree of sampling effort was assessed by means of accumulation curves based on the Clench function. Using the General Linear Model regression procedure, the effects of 22 variables on the estimated sampling efforts were assessed. This combination of methods is proposed as a preliminary step in biodiversity studies, in order to evaluate not only the degree of geographic coverage of existing faunistic data, but also the amount and nature of the bias on the faunistic work done throughout the last two centuries. The degree of spatial effects on the data was greater than the effects of environmental or land-use variables, although the latter two proved to be locally relevant. The results confirm previous findings that collecting is often skewed by relatively simple factors that affect collector activity, such as accessibility and attractiveness of sampling sites. With regard to Iberian and Balearic butterflies, adequate inventories on the scale investigated may probably suffice for further studies of the diversity of this insect group. Additionally, the results enabled us to develop general guide lines for the design of further faunistic work in the area.     

Rotundin and (Z)-18-methylsphaerocephalin,two new germacranolides from Tithonia rotundifolia

The aerial part of Tithonia rotundifolia afforded the heliangolide rotundin and the germacrolide (Z)-18-methylsphaerocephalin.     

Subcutaneous fat necrosis of newborn children

We report a case of subcutaneous fat necrosis of a newborn child which appeared 9 days after birth and was cured without any complications. We propose the reclassification of the etiological factors accompanying this lesion by classifying them in a plurietiological syndrome with some basic or essential factors and other causative factors.     

The germacranolides of Viguiera buddleiaeformis structures of budlein-A and -B

The structure of budlein-A, the main sesquiterpene lactone of Viguiera buddleiaeformis was established as the 8 angeloyl ester of 1 keto, 8-β, 14-dihydroxy germacra-2,4,11 (13)-trien-3, (10 β) oxido-6 α, 12-olide. Its structure and stereochemistry was determined by chemical and spectroscopic means. Budlein-B, found in the same plant as a minor constituent, is 8 α, 15-dihydroxygermacra-1 (10), 4, 11 (13)-trien-6 α, 12-olide.