Search results for "Descriptor"
showing 10 items of 144 documents
Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding.
2019
A novel spherical truncation method, based on fuzzy membership functions, is introduced to truncate interatomic (or interaminoacid) relations according to smoothing values computed from fuzzy membership degrees. In this method, the molecules are circumscribed into a sphere, so that the geometric centers of the molecules are the centers of the spheres. The fuzzy membership degree of each atom (or aminoacid) is computed from its distance with respect to the geometric center of the molecule, by using a fuzzy membership function. So, the smoothing value to be applied in the truncation of a relation (or interaction) is computed by averaging the fuzzy membership degrees of the atoms (or aminoacid…
Preserving Biodiversity in Marginal Rural Areas:Assessment of Morphological and Genetic Variabilityof a Sicilian Common Bean Germplasm Collection
2020
The historical cultivation of common bean (Phaseolus vulgaris L.) has resulted in the development of local populations/cultivars in restricted Italian rural areas. Many common bean landraces, still cultivated in small mountain areas from Sicily, have become outdated and endangered due to the commercial varieties spreading. These accessions are poorly known but often represent a genetic heritage to be preserved and enhanced. The ex situ conservation of fifty-seven Sicilian common bean landraces was carried out at the &ldquo
Whole genome sequencing data and de novo draft assemblies for 66 teleost species
2017
Teleost fishes comprise more than half of all vertebrate species, yet genomic data are only available for 0.2% of their diversity. Here, we present whole genome sequencing data for 66 new species of teleosts, vastly expanding the availability of genomic data for this important vertebrate group. We report on de novo assemblies based on low-coverage (9–39×) sequencing and present detailed methodology for all analyses. To facilitate further utilization of this data set, we present statistical analyses of the gene space completeness and verify the expected phylogenetic position of the sequenced genomes in a large mitogenomic context. We further present a nuclear marker set used for phylogenetic…
Use of Leaf and Fruit Morphometric Analysis to Identify and Classify White Mulberry (Morus alba L.) Genotypes
2018
Digital image analysis and multivariate data analysis were used in this study to identify a set of leaf and fruit morphometric traits to discriminate white mulberry (Morus alba L.) cultivars. The trial was conducted using three- to five-year-old potted cuttings of several white mulberry cultivars. 32 leaf morphometric descriptors were recorded in 2011 and 2012 from 11 mulberry cultivars using image analysis of scanned leaves, whereas six fruit descriptors were recorded in 2011 from nine mulberry cultivars. Linear discriminant analysis (LDA) was used to identify a subset of measured variables that could discriminate the cultivars in trial. Biplot analysis, followed by cluster analysis, was p…
Thirty years unmanaged green roofs: Ecological research and design implications
2016
Abstract The variations in species composition and assemblage of unmanaged simple-intensive green roofs in Hannover, Germany, were investigated over a thirty year period, in order to assess the persistence of the initial seed mixture and to evaluate floristic changes. The roofs were greened in 1985 with soil-based turf rolls sown with a mixture of five grasses (Festuca rubra, Festuca ovina, Agrostis capillaris, Lolium perenne and Poa pratensis). Three sets of 120 phytosociological releves, sampled in 1987, 1999 and 2014, have been compared to assess: (1) nestedness vs spatial turnover, (2) functional diversity and (3) the importance of vegetation dynamics on green roof performance and desig…
A global occurrence database of the Atlantic blue crab Callinectes sapidus
2021
The Atlantic blue crab Callinectes sapidus is a portunid native to the western Atlantic, from New England to Uruguay. The species was introduced in Europe in 1901 where it has become invasive; additionally, a significant northward expansion has been emphasized in its native range. Here we present a harmonized global compilation of C. sapidus occurrences from native and non-native distribution ranges derived from online databases (GBIF, BISON, OBIS, and iNaturalist) as well as from unpublished and published sources. The dataset consists of 40,388 geo-referenced occurrences, 39,824 from native and 564 from non-native ranges, recorded in 53 countries. The implementation of quality controls imp…
Marine alien species in Italy: A contribution to the implementation of descriptor D2 of the marine strategy framework directive
2019
A re-examination of marine alien species or Non Indigenous Species (NIS) reported in Italian Seas, until December 2018, is provided, focusing on establishment success, year of first record, origin, potential invasiveness, and likely pathways, in particular. Furthermore, their distribution is assessed according to the marine subregions outlined by the European Union (EU) Marine Strategy Framework Directive: Adriatic Sea (ADRIA), Ionian Sea and Central Mediterranean Sea (CMED), and Western Mediterranean Sea (WMED). In Italy, 265 NIS have been detected with the highest number of species being recorded in the CMED (154 species) and the WMED (151 species) subregions, followed by the ADRIA (143) …
Curcumin-like compounds designed to modify amyloid beta peptide aggregation patterns
2017
International audience; Curcumin is a natural polyphenol able to bind the amyloid beta peptide, which is related to Alzheimer's disease, and modify its self-assembly pathway. This paper focuses on a multi-disciplinary study that starts from the design of curcumin-like compounds with the key chemical features required for inhibiting amyloid beta aggregation, and reports the effects of these compounds on the in vitro aggregation of amyloid beta peptides. Chemoinformatic screening was performed through the calculation of molecular descriptors that were able to highlight the drug-like profile, followed by docking studies with an amyloid beta peptide fibril. The computational design underlined t…
Dry selection and wet evaluation for the rational discovery of new anthelmintics
2017
Helminths infections remain a major problem in medical and public health. In this report, atom-based 2D bilinear indices, a TOMOCOMD-CARDD (QuBiLs-MAS module) molecular descriptor family and linear discriminant analysis (LDA) were used to find models that differentiate among anthelmintic and non-anthelmintic compounds. Two classification models obtained by using non-stochastic and stochastic 2D bilinear indices, classified correctly 86.64% and 84.66%, respectively, in the training set. Equation 1(2) correctly classified 141(135) out of 165 [85.45%(81.82%)] compounds in external validation set. Another LDA models were performed in order to get the most likely mechanism of action of anthelmin…
Fishing anti-inflammatories from known drugs: In silico repurposing, design, synthesis and biological evaluation of bisacodyl analogues
2017
Herein is described in silico repositioning, design, synthesis, biological evaluation and structure-activity relationship (SAR) of an original class of anti-inflammatory agents based on a polyaromatic pharmacophore structurally related to bisacodyl (BSL) drug used in therapeutic as laxative. We describe the potential of TOMOCOMD-CARDD methods to find out new anti-inflammatory drug-like agents from a diverse series of compounds using the total and local atom based bilinear indices as molecular descriptors. The models obtained were validated by biological studies, identifying BSL as the first anti-inflammatory lead-like using in silico repurposing from commercially available drugs. Several bi…