iLOGP: A Simple, Robust, and Efficient Description of n-Octanol/Water Partition Coefficient for Drug Design Using the GB/SA Approach.

The n-octanol/water partition coefficient (log Po/w) is a key physicochemical parameter for drug discovery, design, and development. Here, we present a physics-based approach that shows a strong linear correlation between the computed solvation free energy in implicit solvents and the experimental log Po/w on a cleansed data set of more than 17,500 molecules. After internal validation by five-fold cross-validation and data randomization, the predictive power of the most interesting multiple linear model, based on two GB/SA parameters solely, was tested on two different external sets of molecules. On the Martel druglike test set, the predictive power of the best model (N = 706, r = 0.64, MAE = 1.18, and RMSE = 1.40) is similar to six well-established empirical methods. On the 17-drug test set, our model outperformed all compared empirical methodologies (N = 17, r = 0.94, MAE = 0.38, and RMSE = 0.52). The physical basis of our original GB/SA approach together with its predictive capacity, computational efficiency (1 to 2 s per molecule), and tridimensional molecular graphics capability lay the foundations for a promising predictor, the implicit log P method (iLOGP), to complement the portfolio of drug design tools developed and provided by the SIB Swiss Institute of Bioinformatics.

Ectoparasites of bats (Chiroptera, Furipteridae), with a description of a new species of Synthesiostrebla Townsend (Diptera, Streblidae) from Brazil

Ectoparasites of bats (Chiroptera, Furipteridae), with a description of a new species of Synthesiostrebla Townsend (Diptera, Streblidae) from Brazil. Records of ectoparasites from furipterid bats are restricted to bat flies (Streblidae). Only three streblid species were known before this work: Trichobius pallidus (Curran, 1934), Strebla wiedemanni Kolenati, 1856, and Synthesiostrebla amorphochili Townsend, 1913. A second species of Synthesiostrebla is described here, increasing the geographical distribution of the genus to east of the Andes. Synthesiostrebla cisandina sp. nov. was found on Furipterus horrens (Cuvier, 1828) in southeastern Brazil. Anterior parts of the body, wing, tergite 7, epiproct and male genitalia are illustrated, and a key to females for species of Synthesiostrebla is provided.

Revision of the neotropical species of empididae (Diptera) described by Mario Bezzi: IX. The species described in Atrichopleura Bezzi and the description of a new species

Revision of the Neotropical species of Empididae (Diptera) described by Mario Bezzi. IX. The species described in Atrichopleura Bezzi and the description of a new species. Four Neotropical species of Empididae described by Bezzi in Atrichopleura Bezzi, 1909 are redescribed: A. crassa (lectotype, pres. desig.), A. hirtipes (lectotype, pres. desig.), A. nitida (lectotype, pres. desig.), A. schnusei (lectotype, pres. desig.). Atrichopleura bezzii sp. nov. is described from among syntypes of A. schnusei.

Description of the male of Lepidodexia (Xylocamptopsis) teffeensis (Townsend) (Diptera, Sarcophagidae)

Description of the male of Lepidodexia (Xylocamptopsis) teffeensis (Townsend) (Diptera, Sarcophagidae). The male of Lepidodexia (Xylocamptopsis) teffeensis (Townsend, 1927) is described and illustrated for the first time based on material housed in the entomological collection of Museu Nacional, Rio de Janeiro (MNRJ). This monotypic subgenus has been recorded in the Brazilian Amazon Rainforest, first in the state of Amazonas and now in the state of Pará. The general structure of the male terminalia is similar that of other Lepidodexia, especially of the subgenus Lepidodexia, by the short distiphallus, juxta with apical projection, and vesica with a membranous spinous lobe.

Revision of Central American species of Euryomma Stein (Diptera, Fanniidae), with description of two new species and updates of distributional records

Euryomma is the second largest genus within Fanniidae, but only two species, E. panamensis Chillcott, 1958 and E. rettenmeyeri Chillcott, 1958 have been recorded in Central America. In this paper we describe two new species of the genus found in Costa Rica, Euryomma chillcotti sp. nov. (Province of Puntarenas) and Euryomma steini sp. nov. (Provinces of Cartago and Limón). Euryomma tahami Grisales, Wolff & Carvalho, 2012 is recorded for the first time to Costa Rica. Identification key to all species found in Central America, descriptions and re-descriptions of species occurring in the region and illustrations of the terminalia of new species are presented.

Description of the third larval instar and pupa of Geniates barbatus Kirby (Coleoptera, Scarabaeidae, Rutelinae)

Description of the third larval instar and pupa of Geniates barbatus Kirby (Coleoptera, Scarabaeidae, Rutelinae). The last larval instar and pupa of the Neotropical Geniatini Geniates barbatus Kirby, 1819 are described and illustrated. Biological notes and a key to the third instar larvae of Neotropical Rutelinae are also provided.

Notes on Neotropical Eumeninae, with the description of a new species of Pachodynerus de Saussure (Hymenoptera, Vespidae)

Notes on Neotropical Eumeninae, with the description of a new species of Pachodynerus de Saussure (Hymenoptera, Vespidae). Taxonomic information on Neotropical Eumeninae is provided. A new species, Pachodynerus fessatus sp. nov. is described from southeastern São Paulo, Brazil. Additional material of Pachodynerus sericeus (Fox) was examined, representing the first further specimens after the original description and including the previously unknown male. The examination of new material of the genus Stenonartonia adds some new distribution records and shows some previously unrecorded individual variation for some species. The males of Stenonartonia guaraya Garcete-Barrett and Stenonartonia rejectoides Garcete-Barrett are described for the first time.

Description of the immature stages of the weevil Anthonomus vis Clark (Coleoptera, Curculionidae), inquiline into the gall of Leandra aurea (Melastomataceae)

Description of the immature stages of the weevil Anthonomus vis Clark (Coleoptera, Curculionidae), inquiline into the gall of Leandra aurea (Melastomataceae). The third instar larva and the pupa of Anthonomus vis Clark, 1992 are described and illustrated, based upon specimens collected in the Serra de São José, Tiradentes, in Minas Gerais, southeastern Brazil. The species was previously known from the type series collected in the states of Amapá and Pará. Comparisons with the larva and pupa of A. grandis Boheman, 1843 and A. monostigma Champion, 1903 are included. The larvae of A. vis live as inquilines in the galls induced by a species of momphid moths (Lepidoptera, Momphidae) in the stems of Leandra aurea (Cham.) Cogn. (Melastomataceae).

Description of the male of Eburella pinima Martins and notes on the geographical distribution of Eburodacrys aenigma Galileo & Martins and Eburodacrys lanei Zajciw (Coleoptera, Cerambycidae)

Description of the male of Eburella pinima Martins and notes on the geographical distribution of Eburodacrys aenigma Galileo & Martins and Eburodacrys lanei Zajciw (Coleoptera, Cerambycidae). The male of Eburella pinima Martins, 1997 is described and illustrated for the first time. Information on Eburodacrys aenigma Galileo & Martins, 2006, previously known only from the female holotype, which lacked locality label, is herein complemented. This species is recorded from Brazil and the male is depicted for the first time. The geographical distribution of Eburodacrys lanei Zajciw, 1958 is further restricted here as some previous records are confirmed to result from misidentifications of E. aenigma.

Synopsis of the genus Exalphus Restello, Iannuzzi & Marinoni (Coleoptera, Cerambycidae, Lamiinae), with description of a new species and new country records

Synopsis of the genus Exalphus Restello, Iannuzzi & Marinoni (Coleoptera, Cerambycidae, Lamiinae), with description of a new species and new country records. A synopsis of Exalphus Restello et al., 2001 is presented. Exalphus solangeae sp. nov. is described from Brazil (Amazonas). A key to identification with illustrations for 14 species of the genus is provided, and notes on distribution with new records are included for nine species: E. biannulatus (Aurivillius, 1921), E. calvifrons (Bates, 1872), E. colasi (Lane, 1965), E. foveatus (Marinoni & Martins, 1978), E. gounellei (Lane, 1973), E. guaraniticus (Lane, 1955), E. leuconotus (Thomson, 1860), E. malleri (Lane, 1955) and E. spilonotus Restello, Iannuzzi & Marinoni, 2001.

The type-species of Psilochlorops Duda (Diptera, Chloropidae) and its position in the phylogeny of the genus, with the description of a new species

The type-species of Psilochlorops Duda (Diptera, Chloropidae) and its position in the phylogeny of the genus, with the description of a new species. The genus Psilochlorops is known only for the Neotropical Region and had six described species to date. Psilochlorops niger sp. nov. is herein described and the male genitalia of P. clavitibia, the type-species of the genus, is described in detail. A new cladistic analysis of Psilochlorops is presented, including all known species of the genus.

New data on Marthiella Buffington (Hymenoptera, Cynipoidea, Figitidae), with description of a new species

New data on Marthiella Buffington (Hymenoptera, Cynipoidea, Figitidae), with description of a new species. A new species of Marthiella Buffington (Hymenoptera, Figitidae) from Brazil and Nicaragua is described and illustrated. Rhabdeucoela semirufa Kieffer is transferred to Marthiella and a new combination was established: Marthiella semirufa. A key for identifying species of Marthiella is provided in this study.

Description of a case of albinism in a tadpole of Discoglossus pictus pictus (Anura: Discoglossidae) in Sicilie

Breu article on es descriu un cas d'albinisme en el gripau pintat (Discoglossus pictus pisctus) de Sicília

Description of the third instar larvae of five species of Cyclocephala (Coleoptera, Melolonthidae, Dynastinae) from Mexico

Description of the third instar larvae of five species of Cyclocephala (Coleoptera, Melolonthidae, Dynastinae) from Mexico. Larvae of four species of Cyclocephala are described for the first time based on specimens collected in Mexican localities: C. barrerai Martínez, 1969 from Puebla, C. sinaloae Howden & Endrödi, 1966 from Sinaloa, C. fasciolata Bates, 1888 from Veracruz, and C. jalapensis Casey, 1915 from Hidalgo. Larva of C. lunulata Burmeister, 1847, is redescribed based on specimens from the Mexican states of Morelos, Puebla, and Veracruz. Diagnostic structures are illustrated and the differences and similarities of each species with other previously described larvae of the genus are commented.

Quality assessment of cardiovascular magnetic resonance in the setting of the European CMR registry: description and validation of standardized criteria.

BACKGROUND: Cardiovascular magnetic resonance (CMR) has become an important diagnostic imaging modality in cardiovascular medicine. However, insufficient image quality may compromise its diagnostic accuracy. We aimed to describe and validate standardized criteria to evaluate a) cine steady-state free precession (SSFP), b) late gadolinium enhancement (LGE), and c) stress first-pass perfusion images. These criteria will serve for quality assessment in the setting of the Euro-CMR registry. METHODS: Thirty-five qualitative criteria were defined (scores 0-3) with lower scores indicating better image quality. In addition, quantitative parameters were measured yielding 2 additional quality criteria, i.e. signal-to-noise ratio (SNR) of non-infarcted myocardium (as a measure of correct signal nulling of healthy myocardium) for LGE and % signal increase during contrast medium first-pass for perfusion images. These qualitative and quantitative criteria were assessed in a total of 90 patients (60 patients scanned at our own institution at 1.5T (n=30) and 3T (n=30) and in 30 patients randomly chosen from the Euro-CMR registry examined at 1.5T). Analyses were performed by 2 SCMR level-3 experts, 1 trained study nurse, and 1 trained medical student. RESULTS: The global quality score was 6.7±4.6 (n=90, mean of 4 observers, maximum possible score 64), range 6.4-6.9 (p=0.76 between observers). It ranged from 4.0-4.3 for 1.5T (p=0.96 between observers), from 5.9-6.9 for 3T (p=0.33 between observers), and from 8.6-10.3 for the Euro-CMR cases (p=0.40 between observers). The inter- (n=4) and intra-observer (n=2) agreement for the global quality score, i.e. the percentage of assignments to the same quality tertile ranged from 80% to 88% and from 90% to 98%, respectively. The agreement for the quantitative assessment for LGE images (scores 0-2 for SNR <2, 2-5, >5, respectively) ranged from 78-84% for the entire population, and 70-93% at 1.5T, 64-88% at 3T, and 72-90% for the Euro-CMR cases. The agreement for perfusion images (scores 0-2 for %SI increase >200%, 100%-200%,<100%, respectively) ranged from 81-91% for the entire population, and 76-100% at 1.5T, 67-96% at 3T, and 62-90% for the Euro-CMR registry cases. The intra-class correlation coefficient for the global quality score was 0.83. CONCLUSIONS: The described criteria for the assessment of CMR image quality are robust with a good inter- and intra-observer agreement. Further research is needed to define the impact of image quality on the diagnostic and prognostic yield of CMR studies.