Search results for "Chemical data"
showing 10 items of 18 documents
Drugs Polypharmacology by in Silico Methods: New Opportunities in Drug Discovery
2016
Background Polypharmacology, defined as the modulation of multiple proteins rather than a single target to achieve a desired therapeutic effect, has been gaining increasing attention since 1990s, when industries had to withdraw several drugs due to their adverse effects, leading to permanent injuries or death, with multi-billiondollar legal damages. Therefore, if up to then the "one drug one target" paradigm had seen many researchers interest focused on the identification of selective drugs, with the strong expectation to avoid adverse drug reactions (ADRs), very recently new research strategies resulted more appealing even as attempts to overcome the decline in productivity of the drug dis…
Selinunte (Sicily) and its productive context: the clayey raw materials applied in a long-lived ceramic production (seventh to third century BCE)
2016
The westernmost of the Greek-Sicilian towns, Selinunte, founded in western Sicily during the second half of the seventh century BCE, gives amazing evidences of a historic activity of ceramic production (seventh to third century BCE). The present study aims to identify the raw materials available in the vicinity of the archaeological site of Selinunte, which were possibly used by the ancient potters, and to characterise them by means of petrographic and chemical techniques. A sampling campaign of clays and sands for tempering was undertaken in the archaeological site and the adjacent area. Moreover, locally produced archaeological bricks and tiles were considered helpful for comparison regar…
A KInetic Database for Astrochemistry (KIDA)
2012
We present a novel chemical database for gas-phase astrochemistry. Named the KInetic Database for Astrochemistry (KIDA), this database consists of gas-phase reactions with rate coefficients and uncertainties that will be vetted to the greatest extent possible. Submissions of measured and calculated rate coefficients are welcome, and will be studied by experts before inclusion into the database. Besides providing kinetic information for the interstellar medium, KIDA is planned to contain such data for planetary atmospheres and for circumstellar envelopes. Each year, a subset of the reactions in the database (kida.uva) will be provided as a network for the simulation of the chemistry of dense…
Archaeometry of Sicilian glazed pottery
2004
Petrographic and chemical analyses of the “ceramic body” of 114 majolica artefacts manufactured in Sicily over a wide time range (16th–-19th century) are presented. All the analysed samples, which belong to museums and private collections, were previously attributed to Sicilian workshops based on stylistic features evaluated by expert historians of art. Unambiguous identification of the production sites of majolica handicrafts in Sicily remains, however, open to question when this relies only on purely stylistic considerations. To this end compositional and/or textural markers have been searched for in the “ceramic body” of the majolica artefacts in order to differentiate between the centre…
A first Multi-GAS based characterisation of the Boiling Lake's (Dominica, Lesser Antilles) volcanic gas plume
2013
We used a Multi-component Gas Analyser System (Multi-GAS) to measure, for the very first time, the composition (H2O, CO2, H2S, SO2) of the volcanic gas plume issuing from the Boiling Lake, a vigorously degassing, hot (T ~ 80-90°C) volcanic lake in Dominica, West Indies. The Multi- GAS captured in-plume concentrations of H2O, CO2 and H2S were well above those typical of ambient atmosphere, while no volcanic SO2 was detected (<0.05 ppm). These were used to derive the Boiling Lake plume characteristic ratios of CO2/H2S (5.2±0.4) and H2O/CO2 (31.4±6). Assuming that other volcanic gas species (e.g., HCl, CO, H2, N2, etc.) are absent in the plume, we recalculated a (air-free) composition for the …
Addition reactions of heterocycles—IV
1973
Abstract The reactivity of indole derivatives towards nitrilimines has been studied. Substituents at positions 1, 2 and 3 of the indole ring greatly affect the course of the reaction. 1,3-Dipolar cycloaddition products (3a,8a,dihydropyrazole-[3,4-b]-indole derivatives) and non-cyclic addition products (3-indolyl derivatives) were obtained depending on these substituents. The structures reported were assigned on the basis of satisfactory analytical, spectroscopic and chemical data.
Analysis of the Essential Oil of the So-called“Mentha mirennae”Bruno by GC and GC/MS
1992
ABSTRACT The essential oil of “Mentha mirennae” Bruno was analyzed by a combination of GC, GC/MS and 13C-NMR. It was found to contain more than 50 components of which about 40 (96%) were identified. The major compounds were linalool (70%), linalyl acetate (9.8%) and limonene (1.5%). From a comparison with the main constituents found in different Mentha oils, we presume that “M. mirennae” must be the hybrid M. citrata Ehrl. However, according to botanical and chemical data the possibility that “M. mirennae” is, in fact, M. spicata L. cannot be excluded.
Can the TLR-4-mediated signaling pathway be "a key inflammatory promoter for sporadic TAA"?
2014
Thoracic aorta shows with advancing age various changes and a progressive deterioration in structure and function. As a result, vascular remodeling (VR) and medial degeneration (MD) occur as pathological entities responsible principally for the sporadic TAA onset. Little is known about their genetic, molecular, and cellular mechanisms. Recent evidence is proposing the strong role of a chronic immune/inflammatory process in their evocation and progression. Thus, we evaluated the potential role of Toll like receptor- (TLR-) 4-mediated signaling pathway and its polymorphisms in sporadic TAA. Genetic, immunohistochemical, and biochemical analyses were assessed. Interestingly, the rs4986790 TLR4…
Penalized linear discriminant analysis and Discrete AdaBoost to distinguish human hair metal profiles: The case of adolescents residing near Mt. Etna
2016
The research focus of the present paper was twofold. First, we tried to document that human intake of trace elements is influenced by geological factors of the place of residence. Second, we showed that the elemental composition of human hair is a useful screening tool for assessing people's exposure to potentially toxic substances. For this purpose, we used samples of human hair from adolescents and applied two robust statistical approaches. Samples from two distinct geological and environmental sites were collected: the first one was characterized by the presence of the active volcano Mt. Etna (ETNA group) and the second one lithologically made up of sedimentary rocks (SIC group). Chemica…
Analysis of manganese deposits from the Alps
2011
Deposits with unusually high Mn contents sampled at Monte Mangart in the Julian Alps include organic-rich marlstone and black shale with interbedded manganoan and siliceous limestone, which were deposited during the early Toarcian Oceanic Anoxic Event. Mn enrichment during that period has been related to global sea-level change coincident with increasing subsidence rate. The formation of Fe-Mn nodules, marking a hardground at the base of the Monte Mangart section, seems to be triggered by release of Mn from remote hydrothermal vents into a region of relatively elevated submarine topography where oxidizing conditions prevailed. However, very high Mn contents in carbonate phases above the har…