Conclave: ontology-driven measurement of semantic relatedness between source code elements and problem domain concepts

Software maintainers are often challenged with source code changes to improve software systems, or eliminate defects, in unfamiliar programs. To undertake these tasks a sufficient understanding of the system (or at least a small part of it) is required. One of the most time consuming tasks of this process is locating which parts of the code are responsible for some key functionality or feature. Feature (or concept) location techniques address this problem. This paper introduces Conclave, an environment for software analysis, and in particular the Conclave-Mapper tool that provides a feature location facility. This tool explores natural language terms used in programs (e.g. function and variable names), and using textual analysis and a collection of Natural Language Processing techniques, computes synonymous sets of terms. These sets are used to score relatedness between program elements, and search queries or problem domain concepts, producing sorted ranks of program elements that address the search criteria, or concepts. An empirical study is also discussed to evaluate the underlying feature location technique.info:eu-repo/semantics/publishedVersio

Synthesis, spectroscopic characterization, DFT studies and biological assays of a novel gold(I) complex with 2-mercaptothiazoline

A new gold(I) complex with 2-mercaptothiazoline (MTZ) with the coordination formula [AuCN(C3H5NS2)] was synthesized and characterized by chemical and spectroscopic measurements, DFT studies and biological assays. Infrared (IR) and 1H, 13C and 15N nuclear magnetic resonance (NMR) spectroscopic measurements indicate coordination of the ligand to gold(I) through the nitrogen atom. Studies based on DFT confirmed nitrogen coordination to gold(I) as a minimum of the potential energy surface with calculations of the hessians showing no imaginary frequencies. Thermal decomposition starts at temperatures near 160°C, leading to the formation of Au0 as the final residue at 1000°C. The gold(I) complex with 2-mercaptothiazoline (Au-MTZ) is soluble in dimethyl sulfoxide (DMSO), and is insoluble in water, methanol, ethanol, acetonitrile and hexane. The antibacterial activities of the Au-MTZ complex were evaluated by an antibiogram assay using the disc diffusion method. The compound showed an effective antibacterial activity against Staphylococcus aureus (Gram-positive) and Escherichia coli and Pseudomonas aeruginosa (Gram-negative) bacterial cells. Biological analysis for evaluation of the cytotoxic effect of the Au-MTZ complex was performed using HeLa cells derived from human cervical adenocarcinoma. The complex presented a potent cytotoxic activity, inducing 85% of cell death at a concentration of 2.0 μmol L-1.301323542359CONSELHO NACIONAL DE DESENVOLVIMENTO CIENTÍFICO E TECNOLÓGICO - CNPQFUNDAÇÃO DE AMPARO À PESQUISA DO ESTADO DE SÃO PAULO - FAPESP141617/2010-12006/55367-

Chemical, Spectroscopic Characterization, Dft Studies And Initial Pharmacological Assays Of A Silver(i) Complex With N-acetyl-l-cysteine

A new silver(I) complex with N-acetyl-l-cysteine (NAC) of composition AgC5H8NO3S·H2O was synthesized and characterized by a set of chemical and spectroscopic measurements. Solid-state 13C nuclear magnetic resonance (SSNMR) and infrared (IR) analyses indicate the coordination of the ligand to Ag(I) through the sulfur atom. The Ag-NAC complex is slightly soluble in dimethyl sulfoxide. It is insoluble in water, methanol, ethanol, acetone and hexane. Antibacterial activity of the silver complex with N-acetyl-l-cysteine (Ag-NAC) was evaluated by antibiogram assays using the disc diffusion method. The compound showed an effective antibacterial activity against Staphylococcus aureus (Gram-positive), Escherichia coli and Pseudomonas aeruginosa (Gram-negative) bacterial cells. Biological analysis for evaluation of a potential cytotoxic effect of Ag-NAC was performed using HeLa cells derived from human cervical adenocarcinoma. The complex presented a significant cytotoxic activity, inducing 80% of cell death at a concentration of 200 μmol L-1. © 2010 Elsevier Ltd. All rights reserved.304579583Chopra, I., (2007) J. Antimicrob. Chemother., 59, p. 587Demling, R.H., Desanti, M.D.L., (2002) Burns, 28, p. 264Moyer, C.A., Brentano, L., Gravens, D.L., Margraf, H.W., Monafo, W.W., (1965) Arch. Surg., 90, p. 812Bellinger, C.G., Conway, H., (1970) Plast. Reconstr. Surg., 45, p. 582Fox, C.L., Modak, S.M., (1974) Antimicrob. Ag. Chemother., 5, p. 582Nomiya, K., Yokoyama, H., (2002) J. Chem. Soc., Dalton Trans., p. 2483Legler, E.V., Kazbanov, V.I., Kazachenko, A.S., (2002) J. Inorg. Chem., 47, p. 150Legler, E.V., Kazbanov, V.I., Kazachenko, A.S., (2002) Russ. J. Inorg. Chem., 47, p. 293Ruan, B., Tian, Y., Zhou, H., Wu, J., Liu, Z., Zhu, C., Yang, J., Zhu, H., (2009) J. Organomet. Chem., 694, p. 2883Cavicchioli, M., Massabni, A.C., Heinrich, T.A., Costa-Neto, C.M., Abrão, E.P., Fonseca, B.A.L., Castellano, E.E., Leite, C.Q.F., (2010) J. Inorg. Biochem., 104, p. 533Aruoma, O.I., Halliwell, B., Hoey, B.M., (1989) Free Radic. Biol. Med., 6, p. 593Gillisen, A., Jaworska, M., Orth, M., (1997) Respir. Med., 91, p. 159Corbi, P.P., Cagnin, F., Massabni, A.C., (2008) J. Coord. Chem., 61, p. 3666Corbi, P.P., Cagnin, F., Massabni, A.C., (2009) J. Coord. Chem., 62, p. 2764Corbi, P.P., Quintão, F.A., Ferrares, D.K.D., Lustri, W.R., Amaral, A.C., Massabni, A.C., (2010) J. Coord. Chem., 63, p. 1390Schmidt, M.W., Baldridge, K.K., Boatz, J.A., Elbert, S.T., Gordon, M.S., Jensen, J.H., Matsunaga, S.K.N., Montgomery Jr., J.A., (1993) J. Comput. Chem., 14, p. 1347Hay, P.J., Wadt, W.R., (1985) J. Chem. Phys., 82, p. 299Ditchfie, R., Hehre, W.J., Pople, J.A., (1971) J. Chem. Phys., 54, p. 724Hehre, W.J., Ditchfie, R., Pople, J.A., (1972) J. Chem. Phys., 56, p. 2257Francl, M.M., Pietro, W.J., Hehre, W.J., Binkley, J.S., Gordon, M.S., Defrees, D.J., Pople, J.A., (1982) J. Chem. Phys., 77, p. 3654Harihara, P.C., Pople, J.A., (1973) Theor. Chim. Acta, 28, p. 213Becke, A.D., (1993) J. Chem. Phys., 98, p. 5648Lee, C.T., Yang, W.T., Parr, R.G., (1988) Phys. Rev. B, 37, p. 785Scott, A.P., Radom, L., (1996) J. Phys. Chem., 100, p. 16502Schaftenaar, G., Noordik, J.H., (2000) J. Comput-Aided Mol. Des., 14, p. 123Bauer, A.W., Kirby, W.M., Sheris, J.C., Turck, M., (1966) Am. J. Clin. Pathol., 45, p. 493(2007) Performance Standards for Antimicrobial Susceptibility Testing, , Clinical and Laboratory Standards Institute Seventeenth Informational Supplement. Wayne, PA, USAMosmann, T., (1983) J. Immunol. Methods, 65, p. 55Rubinstein, L.V., Shoemaker, R.H., Paull, K.D., Simon, R.M., Tosini, S., Skehan, P., Scudiero, D.A., Boyd, M.R., (1990) J. Nat. Cancer Inst., 82, p. 1113Ueyama, N., Hosoi, T., Yamada, Y., Doi, M., Okamura, T., Nakamura, A., (1998) Macromolecules, 31, p. 7119Wazeer, M.I.M., Isab, A.A., Ahmad, S., (2005) J. Coord. Chem., 58, p. 391MacIejewska, D., Rasztawicka, M., Wolska, I., Anuszewska, E., Gruber, B., (2009) Eur. J. Med. Chem., 44, p. 4136Nakamoto, K., (1963) Infrared and Raman Spectra of Inorganic and Coordination Compounds, , first ed. John Wiley and Sons New YorkMitchell, K.A., Jensen, C.M., (1995) Inorg. Chem., 34, p. 4441Rai, M., Yadav, A., Gade, A., (2009) Biotechnol. Adv., 27, p. 76Castellano, J.J., Shafii, S.M., Ko, F., Donate, G., Wright, T.E., Mannari, R.J., (2007) Int. Wound J., 4, p. 11