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4. Intercomparison of source apportionment approaches within the APICE-MED project

Author

Liguori, F., Latella, A., Pillon, S., Elvini, E., Patti, S., Prati, Paolo, Bove, MARIA CHIARA, Brotto, Paolo, Cassola, Federico, Cuccia, E., Marchand, N., Detournay, A., Salameh, D., Armengaud, A., Piga, D., Pey, J., Perez, N., Querol, X., Poupkou, A., Melas, D., Bartzis, G. J., Saraga, D. E., Tolis, E. I., Filiou, K., Quaglia, T., Zannetti, M. T., Parra, M., and Ferrnández, P.

Published
2013

5. Il progetto MED-APICE

Author

Liguori, F., Latella, A., Pillon, S., Elvini, E., De Vettori, S., Susanetti, L., De Bortoli, A., Patti, S., Prati, P., Bove, C., Brotto, P., Cassola, F., Cuccia, E., Massabò, D., Marchand, N., Detournay, A., Salameh, D., Armengaud, A., Piga, D., Pey, J., Querol, N. Perez e. X., Poupkou, A., Melas, D., Bartzis, G. J., Filiou, K., Saraga, D., Tolis, E. I., Quaglia, T., Miotto, A., Campostrini, P., Gissi, Elena, Meggiolaro, M., Zannetti, M. T., Brescianini, C., Parra, M., Ferrnández, P., Perez, C., and Repa, E.

Published
2012

8. Monomeric oxovanadium(IV) compounds of the general formula cis-[V-IV(=O)(X)(L-NN)2](+/0) {X = OH-, Cl-, SO42- and L-NN = 2,2 '-Bipyridine (Bipy) or 4,4 '-disubstituted bipy}

Author

Triantafillou, G. D., Tolis, E. I., Terzis, A., Deligiannakis, Y., Raptopoulou, C. P., Sigalas, M. P., and Kabanos, T. A.

Subjects
envelope modulation spectroscopy, ray-structure, effective core potentials, metal-binding, paramagnetic-resonance, vanadium bromoperoxidase, structural-characterization, electron-spin-echo, molecular calculations, active-site
Abstract

Reaction of [(VOCl2)-O-IV(THF)(2)] in aqueous solution with 2 equiv of AgBF4 or AgSbF6 and then with 2 equiv of 2,2'-bipyridine (bipy), 4,4'-di-tert-butyl-2,2'-bipyridine (4,4'-dtbipy), or 4,4'-di-methyl-2,2'-bipyridine (4,4'-dmbipy) affords compounds of the general formula cis-[(VO)-O-IV(OH)(L-NN)(2)]Y {where L-NN = bipy, Y = BF4(-) (1), L-NN = 4,4'-dtbipy, Y = BF4(-) (2.1.2H(2)O), L-NN = 4,4'-dmbipy, Y = BF4(-) (3.2H(2)O), and L-NN = 4,4'-dtbipy, Y = SbF6- (4)}. Sequential addition of 1 equiv of Ba(ClO4)(2) and then of 2 equiv of bipy to an aqueous solution containing 1 equiv of (VOSO4)-O-IV.5H(2)O yields cis-[(VO)-O-IV(OH)(bipy)(2)]ClO4 (5). The monomeric compounds 1-5 contain the cis-[(VO)-O-IV(OH)](+) structural unit. Reaction of 1 equiv Of (VOSO4)-O-IV.5H(2)O in water and of 1 equiv Of [(VOCl2)-O-IV(THF)(2)] in ethanol with 2 equiv of bipy gives the compounds cis-[(VO)-O-IV(OSO3)(bipy)(2)].CH3OH.1.5H(2)O (6.CH3OH.1.5H(2)O) and cis-[(VOCl)-O-IV(bipy)(2)]Cl (7), respectively, while reaction of 1 equiv of [(VOCl2)-O-IV(THF)(2)] in CH2Cl2 with 2 equiv of 4,4'-dtbipy gives the compound cis-[(VOCl)-O-IV(4,4'-dtbipy)(2)]Cl.0.5CH(2)Cl(2) (8.0.5CH(2)Cl(2)). Compounds cis-[(VO)-O-IV(BF4)(4,4'-dtbipy)(2)]BF4 (9), cis-[(VO)-O-IV(BF4)(4,4'-dmbipy)(2)]BF4 (10), and cis-[(VO)-O-IV(SbF6)(4,4'-dtbipy)(2)]SbF6 (11) were synthesized by sequential addition of 2 equiv of 4,4'-dtbipy or 4,4'-dmbipy and 2 equiv of AgBF4 or AgSbF6 to a dichloromethane solution containing 1 equiv of [(VOCl2)-O-IV(THF)(2)]. The crystal structures of 2.1.2H(2)O, 6.CH3OH.1.5H(2)O, and 8.0.5CH(2)Cl(2) were demonstrated by X-ray diffraction analysis. Crystal data are as follows: Compound 2.1.2H(2)O crystallizes in the orthorhombic space group Pbca with (at 298 K) a = 21.62(1) Angstrom, b = 13.33(1) Angstrom, c = 27.25(2) Angstrom, V = 7851(2) Angstrom(3), Z = 8. Compound 6.CH3OH.1.5H(2)O crystallizes in the monoclinic space group P2(1)/a with (at 298 K) a = 12.581(4) Angstrom, b = 14.204(5) Angstrom, c = 14.613(6) Angstrom, beta = 11 4.88(1)degrees, V = 2369(1), Z = 4. Compound 8.0.5CH(2)Cl(2) crystallizes in the orthorhombic space group Pca2(1) with (at 298 K) a = 23.072(2) Angstrom, b = 24.176(2) Angstrom, c = 13.676(1) Angstrom, V = 7628(2) Angstrom(3), Z = 8 with two crystallographically independent molecules per asymmetric unit. In addition to the synthesis and crystallographic studies, we report the optical, infrared, magnetic, conductivity, and CW EPR properties of these oxovanadium(IV) compounds as well as theoretical studies on [(VO)-O-IV(bipy)(2)](2+) and [(VOX)-O-IV(bipy)(2)](+/0) species (X = OH-, SO42-, Cl-). Inorg Chem

Published
2004

9. Model investigations of vanadium-protein interactions: Novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H(2)bpb)

Author

Vlahos, A. T., Tolis, E. I., Raptopoulou, C. P., Tsohos, A., Sigalas, M. P., Terzis, A., and Kabanos, T. A.

Subjects
complexes, fungus curvularia-inaequalis, molecular-structure, crystal-structure, magnetic-properties, electrochemical properties, azotobacter-vinelandii, metal-amide bond, x-ray structure, solid-state
Abstract

Novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H(2)bpb) were synthesized and structurally characterized. H(2)bpb is capable of binding to vanadium in either its anionic (dianionic-monoanionic) or its neutral form, resulting in complexes of various geometries and stoichiometries. The dianionic form (bpb(2-)), in NHEt3{trans-[VCl2(bpb)]} (1) and [VO(bpb)(H2O)].0.5dmso.0.36CH(3)OH.0.13H(2)O (6.0.5dmso.0.36CH(3)OH.0.13H(2)O), acts as a planar tetradentate bis[N-amidate-N-pyridine] equatorial ligand. The monoanionic form (Hbpb(-)) behaves as an (N-py,O-am) or (N-py,N-am) chelator in [V(Hbpb)(3)].2CHCl(3) (2.2CHCl(3)) as well as a mu(2)-bridging-eta(4)-(N-py,O-am-N-py,N-am) in [VOCl(Hbpb)](2).2CH(3)NO(2) (3.2CH(3)NO(2)), while the neutral H(2)bpb behaves as a mu(2)-bridging-eta(4)-bis(N-py,O-am) in [VOCl(H2bpb)](2).1.04CH(3)OH.1.23thf.0.74H(2)O (4.1.04CH(3)OH.1.23thf.0.74H(2)O). Compound 4.1.04CH(3)OH.1.23thf.0.74H(2)O crystallizes in the triclinic system P (1) over bar. with (at 25 degrees C) a 9.140(2) Angstrom, b = 11.058(2) Angstrom, c = 14.175(2) Angstrom, alpha = 99.013(5)degrees, beta = 104.728(7)degrees, gamma = 102.992(7)degrees, V= 1314.9(4) Angstrom(3): Z = 1, while compound 6.0.5dmso.0.36CH(3)OH.0.13H(2)O crystallizes in the monoclinic space group P2(1)/n with (at 25 degrees C) a = 11.054(5) Angstrom, b = 11.407(5) Angstrom, c = 16.964(7) Angstrom, beta = 93.2(1)degrees, V = 2136(2) Angstrom(3), Z = 4. Variable temperature magnetic susceptibility studies of the dimeric compounds 3.2CH(3)NO(2) and 4.1.03CH(3)OH show g values for the V(IV) centers that are slightly smaller than 2.0 (as expected for d(1) ions) and indicate small antiferromagnetic coupling between the two vanadium(IV) centers. Ab initio calculations were also carried out, providing results concerning the effect of the relative strength and the deformation energy involved in the eta(2)-(N-py,N-am) and eta(2)-(N-py,O-am) bonding modes in the ligation of Hbpb(-) to vanadium. Inorg Chem

Published
2000

14. On organic emissions testing from indoor consumer products' use.

Author

Bartzis J, Wolkoff P, Stranger M, Efthimiou G, Tolis EI, Maes F, Nørgaard AW, Ventura G, Kalimeri KK, Goelen E, and Fernandes O

Subjects
Consumer Product Safety, Detergents, Environmental Monitoring, Perfume, Air Pollutants analysis, Air Pollution, Indoor analysis, Terpenes analysis, Volatile Organic Compounds analysis
Abstract

A wide range of consumer and personal care products may, during their use, release significant amounts of volatile organic compounds (VOC) into the air. The identification and quantification of the emissions from such sources is typically performed in emission test chambers. A major question is to what degree the obtained emissions are reproducible and directly applicable to real situations. The present work attempts partly to address this question by comparison of selected VOC emissions in specific consumer products tested in chambers of various dimensions. The measurements were performed in three test chambers of different volumes (0.26-20 m(3)). The analytic performance of the laboratories was rigorously assessed prior to chamber testing. The results show emission variation for major VOC (terpenes); however, it remains in general, within the same order of magnitude for all tests. This variability does not seem to correlate with the chamber volume. It rather depends on the overall testing conditions. The present work is undertaken in the frame of EPHECT European Project., (Copyright © 2014 Elsevier B.V. All rights reserved.)

Published
2015
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15. Model investigations of vanadium-protein interactions: novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H2bpb).

Author

Vlahos AT, Tolis EI, Raptopoulou CP, Tsohos A, Sigalas MP, Terzis A, and Kabanos TA

Subjects
Benzene Derivatives, Electron Spin Resonance Spectroscopy, Ligands, Models, Molecular, Molecular Structure, Benzene chemistry, Proteins chemistry, Pyridines chemistry, Vanadium Compounds chemistry
Abstract

Novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H2bpb) were synthesized and structurally characterized. H2bpb is capable of binding to vanadium in either its anionic (dianionic-monoanionic) or its neutral form, resulting in complexes of various geometries and stoichiometries. The dianionic form (bpb2-), in NHEt3(trans-[VCl2(bpb)]) (1) and [VO(bpb)(H2O)]05dmso036CH3OH013H2O (6x05dmsox036CH3OHx013H2O), acts as a planar tetradentate bis[N-amidate-N-pyridine] equatorial ligand. The monoanionic form (Hbpb-) behaves as an (Npy,Oam) or (Npy,Nam) chelator in [V(Hbpb)3]2CHCl3 (22CHCl3) as well as a mu 2-bridging-eta 4-(Npy,Oam-Npy,Nam) in [VOCl(Hbpb)](2)x2CH3NO2 (3x2CH3NO2), while the neutral H2bpb behaves as a mu 2-bridging-eta 4-bis(Npy,Oam) in [VOCl(H2bpb)](2)x104CH3OHx123thfx074H2O (4x104CH3OH123thf074H2O). Compound 4x104CH3OHx123thfx074H2O crystallizes in the triclinic system P1, with (at 25 degrees C) a = 9140(2) A, b = 11058(2) A, c = 14175(2) A, alpha = 99013(5) degrees, beta = 104728(7) degrees, gamma = 102992(7) degrees, V = 13149(4) A3, Z = 1, while compound 605dmso036CH3OH013H2O crystallizes in the monoclinic space group P2(1)/n with (at 25 degrees C) a = 11054(5) A, b = 11407(5) A, c = 16964(7) A, beta = 932(1) degrees, V = 2136(2) A3, Z = 4. Variable temperature magnetic susceptibility studies of the dimeric compounds 3x2CH3NO2 and 4x104CH3OH show g values for the V(IV) centers that are slightly smaller than 20 (as expected for d1 ions) and indicate small antiferromagnetic coupling between the two vanadium(IV) centers. Ab initio calculations were also carried out, providing results concerning the effect of the relative strength and the deformation energy involved in the eta 2-(Npy,Nam) and eta 2-(Npy,Oam) bonding modes in the ligation of Hbpb- to vanadium.

Published
2000
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