282 research outputs found
Schema Label Normalization for Improving Schema Matching
Schema matching is the problem of finding relationships among concepts across heterogeneous data sources that are heterogeneous in format and in structure. Starting from the \u201chidden meaning\u201d associated with schema labels (i.e. class/attribute names) it is possible to discover relationships among the elements of different schemata. Lexical annotation (i.e. annotation w.r.t. a thesaurus/lexical resource) helps in associating a \u201cmeaning\u201d to schema labels.However, the performance of semi-automatic lexical annotation methods on real-world schemata suffers from the abundance of non-dictionary words such as compound nouns, abbreviations, and acronyms. We address this problem by proposing a method to perform schema label normalization which increases the number of comparable labels. The method semi-automatically expands abbreviations/acronyms and annotates compound nouns, with minimal manual effort. We empirically prove that our normalization method helps in the identification of similarities among schema elements of different data sources, thus improving schema matching results
Steric Effects in the UV-Visible Spectra of Benzylideneanilines. Part V. Substituent Effect in the Spectra of 1-(4’-Dimethylami- nobenzylideneamino)pyridinium Perchlorates
The electronacceptor substituents in the pyridine ring of l-(4’- -dimenthylaminobenzylideneamino)pyridinium perchlorates cause a red shift of the longest-wavelength UV-Visible absorption band.
The electrondonor substituents act in the opposite direction. For
the compounds studied a linear relationship between v max, as well as log %ax, of that band and Hammett <5 constants was found
Ontology-based stereotyping in a travel support system
The aim of this paper is to address the problem of user profile initialization in a travel support system. In the system under consideration, ontologically demarcated data is stored in a central repository, while user profiles are functionalized as instances of travel object ontologies. Creation of an initial user profile is achieved through stereotyping. An example of utilization of this technique, in the case of restaurant stereotypes, is presented
Advances and trends for the development of ambient-assisted living platforms
Ambient Assisted Living (AAL) and Ambient Intelligence (AmI) try to achieve a future where technology surrounds the users and helps them in their daily lives. In this sense, the urgent need of solutions to cover the rapid increase of the elderly population with chronic diseases led to the increase of projects related with AAL and AmI. During the latest years, several projects have been proposed to tackle different medical problems, some building devices and others services. This paper presents iGenda and its evolution, the UserAccess, with the main objective of developing an AAL platform. It features an analysis of the latest developments and points future directions for the work. These projects display the importance of the interoperability of the platforms, demonstrating a case study for AAL development.This work has been supported by FCT – Fundação para a Ciência eTecnologia within the Project Scope: UID/CEC/00319/2013 and COMPETE: POCI-01-0145-FEDER007043. A. Costa thanks the Fundação para a Ciência e a Tecnologia (FCT) the post-doc scholarship with the ref. SFRH/BPD/102696/2014. This work is also partially supported by the MINECO/FEDER TIN2015-65515-C41-R.info:eu-repo/semantics/publishedVersio
2-Methyl-4-phenyl-3,4-dihydroquinazoline
The title compound, C15H14N2, was formed during the lithiation of 2-methylquinazoline with phenyllithium followed by hydrolysis of the intermediate lithium 2-methyl-4-phenyl-4H-quinazolin-3-ide. NMR spectra as well as single-crystal X-ray structural data indicate that the reaction product to have the same structure in chloroform solution as in the crystalline state. The phenyl substituent is twisted out of the plane of the 3,4-dihydroquinazoline ring system by 86.47 (7)°. In the crystal, intermolecular N—H⋯N interactions connect the molecules into infinite chains
Instability of 2,2-di(pyridin-2-yl)acetic acid. Tautomerization versus decarboxylation
The DFT calculations at the B3LYP level with 6-311G** basis set were carried out in order to reveal whether tautomerization or decarboxylation is responsible for the instability of 2,2-di(pyridin-2-yl)acetic (DPA) and 1,8-diazafluorene-9-carboxylic (DAF) acids. The carboxyl protons in both compounds are involved in the intramolecular hydrogen bonds (the pyridine nitrogen atoms are the hydrogen bond acceptors). Although formation of two intramolecular OH···N hydrogen bonds in the enols of both carboxylic acids enables effective electron delocalization within the quasi rings (···HO − C = C − C = N), only ene-1,1-diol of DAF has somewhat lower energy than DAF itself (ΔE is ca. 7 kcal mol-1). DPA and its enediol have comparable energies. Migration of the methine proton toward the carbonyl oxygen atom (to form enediols) requires overstepping the energy barriers of 55-57 kcal mol-1 for both DPA and DAF. The enaminone tautomers of the acids, formed by migration of this proton toward the pyridine nitrogen atom, are thermodynamically somewhat more stable than the respective enediols. The energy barriers of these processes are equal to ca. 44 and 62 kcal mol-1 for DPA and DAF, respectively. Thus, such tautomerization of the acids is not likely to proceed. On the other hand, the distinct energetic effects (ca. 15 kcal mol-1) favor decarboxylation. This process involves formation of (E)-2-(pyridin-2(1H)-ylidenemethyl)pyridine and its cyclic analogue followed by their tautomerization to (dipyridin-2-yl)methane and 1,8-diazafluorene, respectively. Although the later compound was found to be somewhat thermodynamically more stable, kinetic control of tautomerization of the former is more distinct
N-(2-Benzoyl-4-chlorophenyl)-4-chlorobenzenesulfonamide
The title compound, C19H13Cl2NO3S, is an N-arylsulfonyl derivative of 2-amino-5-chlorobenzophenone. The compound is biologically active and shows potential to be utilized as an inhibitor of CCR2 and CCR9 receptor functions. In the crystal structure, there is an intramolecular N—H⋯O hydrogen bond between the amide and carbonyl groups. The benzoyl and 4-chlorophenyl groups form intramolecular and intermolecular face-to-face contacts, with a dihedral angle of 10.6 (1)° between their mean planes in both cases, and centroid–centroid separations of 4.00 (1) and 4.25 (1) Å for the intra- and intermolecular interactions, respectively
(Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-ylidene)propanoate
Both independent molecules in the asymmetric unit of the tautomeric title compound, C14H13NO3, a synthetic product obtained from 2-lithiomethylquinoline and diethyl oxalate, crystallize in the enaminone form with a Z configuration around the double bond. Intramolecular N—H⋯O hydrogen bonds occur, generating an S(6) graph-set motif. In the crystal, weak intermolecular C—H⋯O and π–π stacking interactions [centroid–centroid distances = 3.7020 (14)–3.7429 (13)Å] define a three-dimensional supramolecular network
DFT studies on tautomeric preferences. Part 3: Proton transfer in 2-(8-acylquinolin-2-yl)-1,3-diones
Effect of benzoannulation on tautomeric preferences of 4,6-di(pyridin-2-yl)cyclohexane-1,3-dione
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