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showing 10 items of 1641 documents
Predicting the activity of single isolated Lewis acid sites in solid catalysts.
2006
An experimental study of the activity of Ti-, Zr- and Sn-beta catalysts in different types of oxidation reactions is combined with a quantum-chemical analysis of the electronic properties of the active sites and the adsorbed reactants. The differences observed in the catalytic behaviour of the three materials are explained in terms of the molecular orbital distribution of each system. The intrinsic Lewis acid strength of the isolated active site, the degree of back-donation from the catalyst to the empty orbitals of the organic reactant and the net atomic charges on selected atoms are proposed as predictors of reactivity.
Organocatalysts Fold to Generate an Active Site Pocket for the Mannich Reaction
2017
Catalysts containing urea, thiourea and tertiary amine groups fold into a three-dimensional organized structure in solution both in the absence as well as in the presence of substrates or substrate analogues, as indicated by solution NMR and computational studies. These foldamer catalysts promote Mannich reactions with both aliphatic and aromatic imines and malonate esters. Hammett plot and secondary kinetic isotope effects provide evidence for the C-C bond forming event as the turnoverlimiting step of the Mannich reaction. Computational studies suggest two viable pathways for the C-C bond formation step, differing in the activation modes of the malonate and imine substrates. The results sh…
Termomodernizacje budynków, a miejsca lęgowe chronionych gatunków ptaków - zagrożenie czy szansa?
2017
Teoretycznie prace związane z termoizolacją budynków, szczególnie bloków mieszkalnych, powinny zostać poprzedzone ekspertyzą ornitologiczną. Nawet jeśli takowa będzie miała miejsce, montowane budki lęgowe kompensujące utratę miejsc lęgowych dla takich gatunków jak wróbel (Passer domesticus) lub jerzyk (Apus apus) często wieszane są nieprawidłowo lub zasiedlone są w następnym sezonie przez inne dziuplaki - głównie szpaki (Sturnus vulgaris). Wobec tego, z punktu widzenia ochrony lęgowych i zagrożonych gatunków, termoizolacja jest uważana za szkodliwą i przynoszącą straty. Jednak w miarę upływu czasu,paradoksalnie, warstwa izolacyjna stwarza ponownie warunki do gniazdowania głównie dzięki nied…
Action-Depicting Gestures and Morphosyntax: The Function of Gesture-Speech Alignment in the Conversational Turn
2021
The current study examines the role of action-depicting gestures in conversational turns by focusing on their semantic characteristics and temporal position in relation to their verbal affiliates (action verbs or more complex verb phrases). The data are video recordings of naturally occurring interactions in multilingual construction sites in Norway. The analysis distinguishes two modes of action depiction: generic depictions, which represent the action as a general type, and contextualized depictions, which in addition include deictic references to the spatio-material environment or iconic representations of the specific manner of action performance. These two modes typically occupy differ…
Górnicze miejsca pamięci jako tworzywo do opracowania tematycznego szlaku kulturowego w przestrzeni Rudy Śląskiej
2019
Dramatyczne wydarzenia, w których jednorazowo ginie większa liczba osób, pozostawiają po sobie materialne ślady w postaci obiektów architektonicznych: pomników, tablic pamiątkowych, krzyży, a także kaplic. Nie inaczej jest w przypadku katastrof górniczych. Miejsc upamiętniających tragicznie zmarłych w kopalniach węgla kamiennego w krajobrazie osiedli górniczych i pogórniczych jest bardzo wiele. Przedmiotem artykułu są miejsca pamięci nieszczęśliwych wydarzeń w kopalniach na obszarze Rudy Śląskiej, które powstały od połowy XIX wieku po współczesność. Ze względu na liczne przykłady ich występowania (pomniki, mogiły zbiorowe, małe obiekty sakralne) mogą one stanowić interesujące tworzywo do op…
Recognition of earthquake-induced damage in the Abakainon necropolis (NE Sicily): results from geo-morphological, geophysical and numerical analyses
2017
Seismotectonic activity and slope instability are a permanent threat in the archaeological site of Abakainon and in the nearby village of Tripi in NE Sicily. In recent times, signs of an ancient earthquake have been identified in the necropolis of Abakainon which dating was ascertained to the first century AD earthquake. The site is located on a slope of Peloritani Mts. along the Tindari Fault Line and contains evidence for earthquake-induced landslide, including fallen columns and blocks, horizontal shift and counter slope tilting of the tomb basements. In this paper, we used an integrated geomorphological and geophysical analysis to constrain the landslide. The research was directed to th…
TOWARDS AN ADVANCED CONSERVATION STRATEGY: A STRUCTURED DATABASE for SHARING 3D DOCUMENTATION between EXPERT USERS
2019
Abstract. Nowadays, the researchers in Cultural Heritage fields investigate more and more about advanced conservation strategies that comprehend the possibility to share and use 3D models and structured information related to them. One of the modern method adopted to achieve this goal is to use structured web-platform. These are online systems that can handle data, created to contain and support precise information. They simultaneously respond to the need for a common ground for different expert users and of a unique tool where to store several kinds of data, coming from heterogeneous sources. The article aims to show how it is possible to build a valid tool for the conservation and monitor…
Generation of Natural Runoff Monthly Series at Ungauged Sites Using a Regional Regressive Model
2016
Many hydrologic applications require reliable estimates of runoff in river basins to face the widespread lack of data, both in time and in space. A regional method for the reconstruction of monthly runoff series is here developed and applied to Sicily (Italy). A simple modeling structure is adopted, consisting of a regression-based rainfall–runoff model with four model parameters, calibrated through a two-step procedure. Monthly runoff estimates are based on precipitation, temperature, and exploiting the autocorrelation with runoff at the previous month. Model parameters are assessed by specific regional equations as a function of easily measurable physical and climate basin descriptors. Th…
Prediction of Specific TCR-Peptide Binding From Large Dictionaries of TCR-Peptide Pairs
2019
Abstract The T cell repertoire is composed of T cell receptors (TCR) selected by their cognate MHC-peptides and naive TCR that do not bind known peptides. While the task of distinguishing a peptide-binding TCR from a naive TCR unlikely to bind any peptide can be performed using sequence motifs, distinguishing between TCRs binding different peptides requires more advanced methods. Such a prediction is the key for using TCR repertoires as disease-specific biomarkers. We here used large scale TCR-peptide dictionaries with state-of-the-art natural language processing (NLP) methods to produce ERGO (pEptide tcR matchinG predictiOn), a highly specific classifier to predict which TCR binds to which…
Real estate surfaces appraisal
2014
In the appraisal of the market value of the properties are applied two important surface indexes: the market surface ratio of the secondary surfaces and the ratio of the site value to total value (allocation method). The measure of both these indexes can be revealed difficult: the data collection of the surface trade ratio in the market can get different results and in practice often the valuer refolds on the fixed coefficients brought in the handbooks and in the circulars of the public administration; the appraisal of the ratio of the site, especially in the central zones and for ancient buildings, where besides the incidence is higher, is developed extrapolating the ratios from the periph…