Search results for "IFT"
showing 10 items of 2193 documents
Intramolecular Hydrogen Bond, Hirshfeld Analysis, AIM; DFT Studies of Pyran-2,4-dione Derivatives
2021
Intra and intermolecular interactions found in the developed crystals of the synthesized py-ron-2,4-dione derivatives play crucial rules in the molecular conformations and crystal stabili-ties, respectively. In this regard, Hirshfeld calculations were used to quantitatively analyze the different intermolecular interactions in the crystal structures of some functionalized py-ran-2,4-dione derivatives. The X-ray structure of pyran-2,4-dione derivative namely (3E,3′E)-3,3′-((ethane-1,2-diylbis(azanediyl))bis(phenylmethanylylidene))bis(6-phenyl-2H-pyran-2,4(3H)-dione) was determined. It crystallized in the monoclinic crystal system and C2/c space group with unit cell parameters: a = 14.0869(4) …
The emissions reduction potential of substituting short-haul flights with non-high-speed rail (NHSR) : The case of Finland
2021
Replacing short-haul flights with high-speed rail (HSR) has been widely discussed as one solution to mitigate the climate change impacts of aviation. However, although HSR can provide travel times similar to those provided by short-haul flights, and at lower emission levels, it also requires considerable investments in time and infrastructure to build. Instead, this study considers the feasibility of replacing short-haul flights with existing non-high-speed rail (NHSR). Our study is based in Finland, a country that has an extensive route network of short-haul flights but does not possess any HSR. We compared all 16 city pairs for which short-haul flights are offered with existing NHSR based…
Growth and population structure of perch in relation to diet in a small humic lake, Valkea-Kotinen
2011
Lake Valkea-Kotinen is a long-term ecological monitoring site in the Evo region of southern Finland .The aim of this study was to investigate the growth and population structure of perch (Perca fluviatilis L.) in relation to diet in Valkea-Kotinen in order to provide reference data for a study investigating effects of increased loading of dissolved organic matter to nearby Lake Alinen Mustajärvi. Valkea-Kotinen was predominantly inhabited by small benthivorous perch. The growth relationship between opercular bone and total length of perch in the lake is similar to those earlier analysed for nearby lakes. Compared to wider growth rates, the growth of perch was slow and similar to those in si…
An Integrated Theory for the Accumulation of Mentally Ill Offenders and the Effect of Realignment in California
2018
High mental illness prevalence in California state prisons has drawn much attention of scholars and policymakers in the past three decades. Various studies suggest that the mental illness prevalence in prison has increased from 0.14 to 0.3 from 1987 to 2014. The problem with a high concentration of mentally ill prisoners culminated when the California Department of Corrections and Rehabilitation (CDCR) was sued for the violation of inmates’ rights under the Eighth Amendment in the early 1990s. Consequently, CDCR’s health care was placed under Federal receivership to reform prison health care. Receivership is an uncommon remedy adopts by a federal court when other court orders have failed to…
Pauperem praeferam: Beneficentia e dono ai poveri tra Cicerone e Seneca
2018
L’articolo si propone di esaminare il significato specifico della beneficentia a Roma antica in rapporto alla rivalutazione del ruolo degli inopes come destinatari delle forme di liberalitas all’interno della rappresentazione fornita da Cicerone nel De officiis e da Seneca nel De beneficiis. Se Cicerone rivendica l’utilità del dono ai poveri (purché meritevoli) evidenziando come esso comporti un ritorno non solo in termini di riconoscenza ma anche di gloria (Off. 2, 63; 69-71), Seneca si serve dell’apologo di Eschine (Ben. 1, 8-9) per dimostrare come il pauper, benché privo di mezzi, possa trovare in se stesso le risorse più adeguate al contraccambio virtuoso. Seneca fa un passo ulteriore t…
La vita degli oggetti: il ruolo della cosa donata in Seneca
2014
This paper highlights the very active role of objects in the practice of gift exchange, focusing on the representation of munus and donum which emerges from Seneca's De beneficiis and Medea's tragedy. Examining the function of the gift and its cultural patterns permits a critical comparison with anthropological studies concerning the theory of the spirit of the gift (hau) formulated by Marcel Mauss and the theme of inalienable gifts, elaborated by Annette Weiner. Such an analysis emphasizes the objects' propensity to stimulate the memory of the receiver and to arouse his gratitude. Moreover, the gift, imbued with the giver's identity, is suitable to replace him not only in gift-giving relat…
Polysubstituted ferrocenes as tunable redox mediators
2018
A series of four ferrocenyl ester compounds, 1-methoxycarbonyl- (1), 1,1’-bis(methoxycarbonyl)- (2), 1,1’,3-tris(methoxycarbonyl)- (3) and 1,1’,3,3’-tetrakis(methoxycarbonyl)ferrocene (4), has been studied with respect to their potential use as redox mediators. The impact of the number and position of ester groups present in 1–4 on the electrochemical potential E1/2 is correlated with the sum of Hammett constants. The 1/1+–4/4+ redox couples are chemically stable under the conditions of electrolysis as demonstrated by IR and UV–vis spectroelectrochemical methods. The energies of the C=O stretching vibrations of the ester moieties and the energies of the UV–vis absorptions of 1–4 and 1+–4+ c…
Understanding Structure and Stability of Monoclinic Zirconia Surfaces from First-Principles Calculations
2017
Under the water-rich pre-treatment and/or reaction conditions, structure and chemistry of the monoclinic zirconia surfaces are strongly influenced by oxygen vacancies and incorporated water. Here, we report a combined first-principles and atomistic thermodynamics study on the structure and stability of selected surfaces of the monoclinic zirconia. Our results indicate that among the studied surfaces, the most stable (111) surface is the least vulnerable towards oxygen vacancies in contrast to the less stable (011) and (101) surfaces, where formation of oxygen vacancies is energetically more favorable. Furthermore, we present a vigorous, systematic screening of water incorporation onto the s…
Beneficio e vendetta. Due dinamiche relazionali nel "De beneficiis" e nelle tragedie di Seneca
2011
Nelle sue tragedie Seneca elabora una rappresentazione dei sistemi relazionali di iniuria e vendetta, operando una riconsiderazione delle categorie morfologiche di male facere e bene facere e del loro valore culturale e letterario. Il confronto tra iniuria – il più importante strumento di nocere nelle fabulae di Seneca – e beneficium mira a chiarire i termini strutturali della ridefinizione senecana intorno a offesa e beneficio, al fine di individuare una rete di temi che possano fornire un’interpretazione culturale di queste due forme diverse di relazione, segnate da una polarità ideologica che il confronto fra le tragedie e il trattato de beneficiis lascia emergere. Il mescolamento di e…
Visual saliency by keypoints distribution analysis
2011
In this paper we introduce a new method for Visual Saliency detection. The goal of our method is to emphasize regions that show rare visual aspects in comparison with those showing frequent ones. We propose a bottom up approach that performs a new technique based on low level image features (texture) analysis. More precisely, we use SIFT Density Maps (SDM), to study the distribution of keypoints into the image with different scales of observation, and its relationship with real fixation points. The hypothesis is that the image regions that show a larger distance from the mode (most frequent value) of the keypoints distribution over all the image are the same that better capture our visual a…