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Author Serneels, S.; Faber, K.; Verdonck, T.; van Espen, P.J.
Title Case specific prediction intervals for tri-PLS1 : the full local linearisation Type A1 Journal article
Year 2011 Publication Chemometrics and intelligent laboratory systems Abbreviated Journal
Volume 108 Issue 2 Pages 93-99
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A new method to estimate case specific prediction uncertainty for univariate trilinear partial least squares (tri-PLS1) regression is introduced. This method is, from a theoretical point of view, the most exact finite sample approximation to true prediction uncertainty that has been reported up till now. Using the new method, different error sources can be propagated, which is an advantage that cannot be offered by data driven approaches such as the bootstrap. In a concise example, it is illustrated how the method can be applied. In the Appendix, efficient algorithms are presented to compute the estimates required.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000295310000002 Publication Date 2011-05-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0169-7439; 1873-3239 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:92788 Serial 7580
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Author Alejo, ellys; Morales, M.C.; Nuñez, V.; Bencs, L.; Van Grieken, R.; van Espen, P.
Title Monitoring of tropospheric ozone in the ambient air with passive samplers Type A1 Journal article
Year 2011 Publication Microchemical journal Abbreviated Journal
Volume 99 Issue 2 Pages 383-387
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Two sampling campaigns in suburban places in the north zone of Santa Clara city, Cuba, have been carried out on a weekly base with the use of Radiello passive diffusion tubes in order to monitor the tropospheric ozone (O3) levels in 2010. The first campaign was scheduled from February to April (cold season) and the second one in August and October (warm season), both of them at two sampling sites, i.e., Farm and School of Art Instructors. After aqueous extraction, the samples were analyzed by UVVIS spectrophotometry. A seasonal trend was observed with the maximum O3 concentrations in the cold season and the minimum levels in the warm season. Samples collected during the cold season showed the highest O3 levels. Higher levels were reached at the Farm site with average values of about 58 ± 12 μg/m3, which exceeded the limit of the Cuban Standard 99:1999. In the warm season, the O3 concentrations were similar for both sites, but lower than those observed in the cold season. The overall, seasonal average value was found to be 24 μg/m3. Despite the higher weekly average temperatures in August, the O3 concentrations during this month showed the lowest values of the whole sampling period, which finding is in agreement with that reported by the Meteorological Institute of Cuba. Mathematical models, based on the Cochrane-Orcutt algorithm, were fitted to the acquired data set to explain the change in the tropospheric ozone concentrations under various meteorological conditions during the two campaigns. The correlation coefficients for both the cold and the warm seasons demonstrated a strong correlation, i.e., 0.779 and 0.951, respectively. The high correlation of wind speed in the model from the first sampling campaign explains the sharp decrease in O3 concentrations at the SAI sampling site from the sixth week of sampling.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000295770700034 Publication Date 2011-06-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:93294 Serial 8277
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Author Jammaer, J.; Aprile, C.; Verbruggen, S.W.; Lenaerts, S.; Pescarmona, P.P.; Martens, J.A.
Title A non-aqueous synthesis of TiO2SiO2 composites in supercritical CO2 for the photodegradation of pollutants Type A1 Journal article
Year 2011 Publication Chemsuschem Abbreviated Journal Chemsuschem
Volume 4 Issue 10 Pages 1457-1463
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Titania/silica composites with different Ti/Si ratios are synthesized via a nonconventional synthesis route. The synthesis involves non-aqueous reaction of metal alkoxides and formic acid at 75 °C in supercritical carbon dioxide. The as-prepared composite materials contain nanometer-sized anatase crystallites and amorphous silica. Large specific surface areas are obtained. The composites are evaluated in the photocatalytic degradation of phenol in aqueous medium, and in the elimination of acetaldehyde from air. The highest photocatalytic activity in both processes is achieved with a composite containing 40 wt % TiO2.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296497400010 Publication Date 2011-05-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.226 Times cited 15 Open Access
Notes ; The authors acknowledge sponsorship from CECAT and Methusalem (long-term financing of the Flemish government). We thank Dr. E. Gobechiya for assistance with XRD measurements and A. Lemaire for assistance with mercury porosimetry measurements. ; Approved Most recent IF: 7.226; 2011 IF: 6.827
Call Number (up) UA @ admin @ c:irua:93363 Serial 5973
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Author Verbruggen, S.W.; Ribbens, S.; Tytgat, T.; Hauchecorne, B.; Smits, M.; Meynen, V.; Cool, P.; Martens, J.A.; Lenaerts, S.
Title The benefit of glass bead supports for efficient gas phase photocatalysis : case study of a commercial and a synthesised photocatalyst Type A1 Journal article
Year 2011 Publication Chemical engineering journal Abbreviated Journal Chem Eng J
Volume 174 Issue 1 Pages 318-325
Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA); Sustainable Energy, Air and Water Technology (DuEL)
Abstract In the field of photocatalytic air purification, the immobilisation of catalyst particles on support surfaces without loss of photon efficiency is an important challenge. Therefore, an immobilisation method involving a one-step suspension coating of pre-synthesised photocatalysts on glass beads was applied. The various benefits are exemplified in the gas phase photodegradation of ethylene. Coating of glass beads is easy, fast, cheap and offers a more efficient alternative to bulk catalyst pellets. Furthermore, this coating procedure allows to use porous, pre-synthesised catalysts to their full potential, as the surface area and morphology of the initial powder is barely altered after coating, in strong contrast to pelletising. With this technique it became possible to study the gas phase photocatalytic activity of commercial titanium dioxide, trititanate nanotubes and mixed phase anatase/trititanate nanotubes in a packed bed reactor towards the degradation of ethylene without changing the catalyst properties. Coating of glass beads with the photocatalyst revealed the superior activity of the as-prepared nanotubes, compared to TiO2 Aerolyst® 7710 in gaseous phase.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296950300041 Publication Date 2011-09-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1385-8947; 1873-3212 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.216 Times cited 39 Open Access
Notes ; The author wishes to acknowledge the Research Foundation of Flanders (FWO) for the financial support. Evonik is greatly thanked for supplying the TiO<INF>2</ INF> Aerolyst (R) 7710 pellets. ; Approved Most recent IF: 6.216; 2011 IF: 3.461
Call Number (up) UA @ admin @ c:irua:93364 Serial 5929
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Author Krupińska, B.; Worobiec, A.; Rotondo, G.G.; Novaković, V.; Kontozova, V.; Ro, C.-U.; Van Grieken, R.; De Wael, K.
Title Assessment of the air quality (NO2, SO2, O3 and particulate matter) in the Plantin-Moretus Museum/Print Room in Antwerp, Belgium, in different seasons of the year Type A1 Journal article
Year 2012 Publication Microchemical journal Abbreviated Journal Microchem J
Volume 102 Issue 1 Pages 49-53
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract The Plantin-Moretus Museum/Print Room in Antwerp, Belgium, gathers one of the most precious collections of typographical material and old printed books in the world. Rich decorations of this former printing-house and the history of the building itself underline its uniqueness. The cultural heritage (CH) objects collected in the museum, in particular books and manuscripts are vulnerable to the atmospheric pollution and can be irreversibly damaged. To assess the air quality inside the museum, four consecutive sampling campaigns were performed in each season of the year. The gas monitoring of nitrogen dioxide (NO2), sulphur dioxide (SO2) and ozone (O3) was carried out outside the building, in galleries and in showcases by means of using diffusive samplers. The particulate matter (PM) was collected in bulk form and as single particles and then analysed with use of energy dispersive X-ray fluorescence (EDXRF) and electron probe micro-analyser (EPMA), respectively. The museum complex turned out to show good protection against gaseous pollutants, especially SO2 and O3. The concentrations of these pollutants were significantly reduced inside the building in comparison to the outdoor ones. Similar protective character of the museum complex was established in case of the coarse fraction of PM; however with some limitations. Single particle analysis showed that the relative abundance of carbon-rich particles inside the museum was greater than outside. Moreover, these particles contributed more to the fine fraction of PM than to the coarse fraction. Therefore, for better preservation of cultural heritage, special attention should be paid to the small particles and their distribution within the museum.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000301559100007 Publication Date 2011-11-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.034 Times cited 25 Open Access
Notes ; The presented work was realised in the frame of the project Preventive conservation/preservation in the museum Plantin-Moretus/Prentenkabinet, Antwerp, financed by the Flemish Government. Special thanks are due to Mrs Hanne Moris and Mrs Elke van Herck and all the staff of the Museum Plantin-Moretus/Print Room in Antwerp for their sincere interest in this work and their eager assistance during all the sampling campaigns. Barbara Krupinska is supported as PhD student by the Flemish Fund for Scientific Research (FWO, Belgium). ; Approved Most recent IF: 3.034; 2012 IF: 2.879
Call Number (up) UA @ admin @ c:irua:94466 Serial 5483
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Author Bugani, S.; Modugno, F.; Lucejko, J.J.; Giachi, G.; Cagno, S.; Cloetens, P.; Janssens, K.; Morselli, L.
Title Study on the impregnation of archaeological waterlogged wood with consolidation treatments using synchrotron radiation microtomography Type A1 Journal article
Year 2009 Publication Analytical and bioanalytical chemistry Abbreviated Journal Anal Bioanal Chem
Volume 395 Issue 7 Pages 1977-1985
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract In favourable conditions of low temperature and low oxygen concentration, archaeological waterlogged wooden artefacts, such as shipwrecks, can survive with a good state of preservation. Nevertheless, anaerobic bacteria can considerably degrade waterlogged wooden objects with a significant loss in polysaccharidic components. Due to these decay processes, wood porosity and water content increase under ageing. In such conditions, the conservation treatments of archaeological wooden artefacts often involve the replacement of water with substances which fill the cavities and help to prevent collapse and stress during drying. The treatments are very often expensive and technically difficult, and their effectiveness very much depends on the chemical and physical characteristics of the substances used for impregnation. Also important are the degree of cavity-filling, penetration depth and distribution in the structure of the wood. In this study, the distribution in wood cavities of some mixtures based on polyethylene glycols and colophony, used for the conservation of waterlogged archaeological wood, was investigated using synchrotron radiation X-ray computed microtomography (SR-A mu CT). This non-destructive imaging technique was useful for the study of the degraded waterlogged wood and enabled us to visualise the morphology of the wood and the distribution of the materials used in the wood treatments. The study has shown how deposition is strictly related to the dimension of the wooden cavities. The work is currently proceeding with the comparison of synchrotron observations with the data of the solutions viscosity and with those of the properties imparted to the wood by the treatments.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000272017000005 Publication Date 2009-09-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-2642 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.431 Times cited 30 Open Access
Notes Approved Most recent IF: 3.431; 2009 IF: 3.480
Call Number (up) UA @ admin @ c:irua:94493 Serial 5853
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Author van Put, A.; Vertes, A.; Wegrzynek, D.; Treiger, B.; Van Grieken, R.
Title Quantitative characterization of individual particle surfaces by fractal analysis of scanning electron microscope images Type A1 Journal article
Year 1994 Publication Fresenius' journal of analytical chemistry Abbreviated Journal
Volume 350 Issue Pages 440-447
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1994PR64400005 Publication Date 2004-10-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0937-0633; 1432-1130 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:9505 Serial 8442
Permanent link to this record
 

 
Author Van Grieken, R.; de Bruin, M.
Title Nomenclature for radioanalytical chemistry (IUPAC Recommendations 1994) Type A1 Journal article
Year 1994 Publication Pure and applied chemistry Abbreviated Journal
Volume 66 Issue 12 Pages 2513-2526
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Nearly 200 terms commonly used in radioanalytical chemistry are unambiguously defined. The list is partially based on an earlier IUPAC-glossary (Pure Appl. Chem. 54 (1982) 1533-1554), but some modifications have been made, terms related to nuclear physics and technology have not been reconsidered and numerous new entries from the realm of radiometric analysis, radioimmunoassay and related techniques have been included.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1994PZ23000010 Publication Date 2007-10-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0033-4545 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:9506 Serial 8312
Permanent link to this record
 

 
Author Wonders, J.H.A.M.; Houweling, S.; de Bont, F.A.J.; van Leeuwen, H.P.; Eeckhaoudt, S.M.; Van Grieken, R.
Title Characterization of aerosol-associated lead by DPASV and LAMMA Type A1 Journal article
Year 1994 Publication International journal of environmental analytical chemistry Abbreviated Journal
Volume 56 Issue Pages 193-205
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1994PF99800002 Publication Date 2007-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0306-7319 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:9514 Serial 7611
Permanent link to this record
 

 
Author Cabal Rodríguez, A.E.; Leyva Pernia, D.; Schalm, O.; van Espen, P.J.M.
Title Possibilities of energy-resolved X-ray radiography for the investigation of paintings Type A1 Journal article
Year 2012 Publication Analytical and bioanalytical chemistry Abbreviated Journal
Volume 402 Issue 4 Pages 1471-1480
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract X-ray radiographic images of paintings often show little or no contrast. In order to increase the contrast in radiographic images we measured the X-ray spectrum of a low power X-ray tube, after passing through the painting, with a high energy-resolution SDD detector. To obtain images, the detector is collimated with a 400 mu m diameter pinhole and the painting was moved through the beam in the x and y-direction using a dwell time of a few seconds per pixel. The data obtained consists of a data cube of, typically, 200 x 200 pixels and a 512-channel X-ray spectrum for each pixel, spanning the energy range from 0 to 40 keV. Having the absorbance spectrum available for each pixel, we are able, a posteriori, to produce images by edge subtraction for any given element. In this way high contrast, element-specific, images can be obtained. Because of the high energy-resolution a much simpler edge subtraction algorithm can be applied. We also used principal-component imaging to obtain, in a more automated way, images with high contrast. Some of these images can easily be attributed to specific elements. It turns out that preprocessing of the spectral data is crucial for the success of the multivariate image processing.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000299842000008 Publication Date 2011-07-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1618-2642; 1618-2650 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:96200 Serial 8394
Permanent link to this record
 

 
Author Hellar-Kihampa, H.; Potgieter-Vermaak, S.; van Meel, K.; Gatto Rotondo, G.; Kishimba, M.; Van Grieken, R.
Title Elemental composition of bottom-sediments from Pangani river basin, Tanzania : lithogenic and anthropogenic sources Type A1 Journal article
Year 2012 Publication Toxicological and environmental chemistry Abbreviated Journal
Volume 94 Issue 3 Pages 525-544
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract River-bed sediments from the Pangani basin, Tanzania, were characterized for elemental compositions, following contamination risks from rapid expansions of human activities in the area. Samples were collected during two individual seasons and analyzed by high-polarizing beam energy dispersive X-ray fluorescence (EDXRF) for eight major and 14 trace elements. Evaluation of enrichment factors (EFs) was used to investigate the elemental flux and assess the contributions of natural and anthropogenic influences. The abundances of the major elements followed the order Si > Al > Fe > Ca > K > Ti > Mn > P, similar to that of the upper earth's crust, and were generally from the weathering of the bed-rock. The high concentrations of typical anthropogenic trace-elements (Cr < 160 mg kg−1, V < 85 mg kg−1, Ni < 60 mg kg−1, Cu < 87 mg kg−1, La < 90 mg kg−1) coupled with high EFs (>2) in some locations indicated contamination associated with agricultural and industrial activities. Factor analysis extracted five principal components that contributed to 96.0% of the total observed variance. The results indicated that river-bed sediments of the Pangani basin were influenced to a larger extent by lithogenic sources than anthropogenic impacts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304276100007 Publication Date 2012-01-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0277-2248 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:97080 Serial 7889
Permanent link to this record
 

 
Author De Wael, K.; Daems, D.; Van Camp, G.; Nagels, L.J.
Title The use of potentiometric sensors to study (bio)molecular interactions Type A1 Journal article
Year 2012 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 84 Issue 11 Pages 4921-4927
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Potentiometric sensors were used to study molecular interactions in liquid environments, with sensorgram methodology. This is demonstrated with a lipophilic rubber-, and with a collagen based hydrogel sensor coating. The investigated molecules were promazine and tartaric acid respectively. The sensors were placed in a hydrodynamic wall jet system for the recording of sensorgrams. mV sensor responses were first converted to a signal, expressing the concentration of adsorbed organic ions. Using a linearization method, a pseudo first order kinetic model of adsorption was shown to fit the experimental results perfectly. Kass, kon and koff values were calculated.. The technique can be used over 4 decades of concentration, and it is very sensitive to low MW compounds as well as to multiply charged large biomolecules. This study is the first to demonstrate the application of potentiometric sensors as an alternative and complement to SPR methods.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000304783100041 Publication Date 2012-04-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 10 Open Access
Notes ; Financial support for this work was provided by the University of Antwerp by granting D.D. a BOF interdisciplinary research project. We thank J. Everaert for his help in interpreting the results. K.D.W. and D.D. contributed equally to this work. ; Approved Most recent IF: 6.32; 2012 IF: 5.695
Call Number (up) UA @ admin @ c:irua:97520 Serial 5898
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Author Pilehvar, S.; Dardenne, F.; Blust, R.; De Wael, K.
Title Electrochemical sensing of phenicol antibiotics at gold Type A1 Journal article
Year 2012 Publication International journal of electrochemical science Abbreviated Journal Int J Electrochem Sc
Volume 7 Issue 6 Pages 5000-5011
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Phenicols are an effective and a broad spectrum class of antibiotics which has lost favour due to their side effects on human health. A rapid and sensitive electrochemical detection system is developed for the simultaneous detection of chloramphenicol (CAP), thiamphenicol (TAP) and florfenicol (FF). The electrochemical behaviour of CAP in the presence of its derivatives was investigated by cyclic voltammetry (CV) and square wave voltammetry (SWV). At a gold electrode, CAP gives rise to a sensitive cathodic peak at −0.68V (versus SCE) in a tris buffer solution (pH 7.6). This behavior gives us the opportunity to introduce a method for sensing CAP electrochemically in the presence of its derivatives. Calibration graphs were linear in the 2.5-7.4 μmol L-1 concentration range. Deviations from linearity were observed for higher concentrations and this was interpreted to be due to kinetic limitation caused by the saturation of CAP and its reduction products onto the gold electrode surface. A limit of detection of 1 μmol L-1 was found.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1452-3981 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.469 Times cited Open Access
Notes ; ; Approved Most recent IF: 1.469; 2012 IF: NA
Call Number (up) UA @ admin @ c:irua:98344 Serial 5595
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Author Jain, R.; Rather, J.A.
Title Stripping voltammetry of tinidazole in solubilized system and biological fluids Type A1 Journal article
Year 2011 Publication Colloids and surfaces: A: physicochemical and engineering aspects Abbreviated Journal
Volume 378 Issue Pages 27-33
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The adsorptive voltammetric behaviour of tinidazole onto the HMDE was investigated and validated in solubilized system and biological fluids by CV, SWCAdSV and DPCAdSV. Addition of CTAB to the solution containing drug enhanced the peak current while anionic and non-ionic surfactants showed an opposite effect. The electrode process is irreversible and adsorption controlled. Various chemical and instrumental parameters affecting the monitored electroanalytical response were investigated and optimized for tinidazole determination. Under optimized conditions; the adsorptive stripping peak current is linear over the concentration range 7.0 × 10−9 to 6.2 × 10−7 mol/L with detection limit of 4.5 × 10−10 mol/L. The precision of the proposed method in terms of RSD is 1.2% and mean recovery of 100.01%. The applicability of proposed method is further extended to in vitro determination of the drug in biological fluids.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000289544600004 Publication Date 2011-02-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-7757 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:98688 Serial 8584
Permanent link to this record
 

 
Author Jain, R.; Yadav, R.K.; Rather, J.A.
Title Voltammetric assay of anti-vertigo drug betahistine hydrochloride in sodium lauryl sulphate Type A1 Journal article
Year 2010 Publication Colloids and surfaces: A: physicochemical and engineering aspects Abbreviated Journal
Volume 366 Issue Pages 63-67
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Assay and electrochemical behaviour of betahistine hydrochloride in BrittonRobinsons (BR) buffer of pH range 2.512.0 at a glassy carbon electrode have been investigated. Addition of anionic surfactant (sodium lauryl sulphate) to the betahistine hydrochloride solution containing electrolyte enhanced the reduction current signal while neutral surfactant (Tween-20) and cationic surfactant cetyl trimethylammonium bromide (CTAB) showed an opposite effect. Voltammograms of betahistine hydrochloride exhibited a single wave. Based on reduction behaviour of betahistine hydrochloride, a direct square-wave voltammetric method has been developed for the assay of betahistine hydrochloride in pharmaceutical formulation. The proposed method has been validated as per ICH guideline. System and method precision in terms of RSD were 1.88% and 1.60% respectively, whereas the method accuracy was indicated by the recovery of 97.6101.9%. Reduction peak current was linear over the target concentration with correlation coefficient 0.998. The proposed method was successfully applied to the determination of betahistine hydrochloride in pharmaceutical formulation. The results were compared with those obtained by the reference high performance liquid chromatographic method. No significant differences were found between results of proposed and reference methods.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280501800010 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-7757 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number (up) UA @ admin @ c:irua:98689 Serial 8741
Permanent link to this record
 

 
Author Pilehvar, S.; Mehta, J.; Dardenne, F.; Robbens, J.; Blust, R.; De Wael, K.
Title Aptasensing of chloramphenicol in the presence of its analogues : reaching the maximum residue limit Type A1 Journal article
Year 2012 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 84 Issue 15 Pages 6753-6758
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract A novel label-free folding induced aptamer-based electrochemical biosensor for the detection of chloramphenicol (CAP) in the presence of its analogues has been developed. CAP is a broad-spectrum antibiotic which has lost its favor due to its serious adverse toxic effects on human health. Aptamers are artificial nucleic acid ligands (ssDNA or RNA) able to specifically recognize a target such as CAP. In this article, the aptamers are fixed onto a gold electrode surface by a self-assembly approach. In the presence of CAP, the unfolded ssDNA on the electrode surface changes to a hairpin structure bringing the target molecules close to the surface and trigger electron transfer. Detection limits were determined to be 1.6×10-9 mol L-1. In addition, thiamphenicol (TAP) and florfenicol (FF), antibiotics with a similar structure to CAP, did not influence the performance of the aptasensor, suggesting a good selectivity of the CAP-aptasensor. Simplicity and lower detection limit (because of the home-selected aptamers) make that the electrochemical aptasensor is suitable for practical use in the detection of CAP in milk samples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307159200069 Publication Date 2012-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 68 Open Access
Notes ; ; Approved Most recent IF: 6.32; 2012 IF: 5.695
Call Number (up) UA @ admin @ c:irua:98816 Serial 5477
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Author Ivanov, V.; Nagy, J.B.; Lambin, P.; Lucas, A.; Zhang, X.B.; Zhang, X.F.; Bernaerts, D.; Van Tendeloo, G.; Amelinckx, S.; van Landuyt, J.
Title The study of carbon nanotubes produced by catalytic method Type A1 Journal article
Year 1994 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett
Volume 223 Issue Pages 329-335
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos A1994NT08000011 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0009-2614 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.897 Times cited 405 Open Access
Notes Approved PHYSICS, APPLIED 28/145 Q1 #
Call Number (up) UA @ lucian @ c:irua:10002 Serial 3326
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Author Van Tendeloo, G.; Amelinckx, S.; Darriet, B.; Bontchev, R.; Darriet, J.; Weill, F.
Title Structural considerations and HREM on LanTin-\deltaO3n (n≥4δ) Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 108 Issue Pages 314-335
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994MU65200016 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 29 Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:10022 Serial 3227
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Author Nistor, L.C.; Van Tendeloo, G.; Amelinckx, S.
Title Defects and phase transformation in monclinic natural hollandite: BaxMn8O16 Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 109 Issue Pages 152-165
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994MY48800024 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 13 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:10023 Serial 626
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Author Daniel, P.; Barbey, L.; Groult, D.; Nguyen, N.; Van Tendeloo, G.; Raveau, B.
Title Mixed valent iron oxides with the 0201-1201 intergrowth structure: (Pb1-xTlx)Sr4Fe2O9 (0≤x≤1) Type A1 Journal article
Year 1994 Publication European journal of solid state and inorganic chemistry Abbreviated Journal
Volume 31 Issue Pages 235-244
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos A1994NQ48700004 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0992-4361 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 12 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:10030 Serial 2093
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Author Van Tendeloo, G.; Domengès, B.; Caldes, M.T.; Hervieu, M.; Raveau, B.
Title Structural aspects of Li-doped tubular bismuth cuprates (Bi2Sr3Cu2-xLixOy): an electron microscopy study Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 112 Issue Pages 161-169
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PG30500027 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record;
Impact Factor 2.133 Times cited Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:10033 Serial 3208
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Author Wee, L.H.; Wiktor, C.; Turner, S.; Vanderlinden, W.; Janssens, N.; Bajpe, S.R.; Houthoofd, K.; Van Tendeloo, G.; De Feyter, S.; Kirschhock, C.E.A.; Martens, J.A.;
Title Copper benzene tricarboxylate metal-organic framework with wide permanent mesopores stabilized by keggin polyoxometallate ions Type A1 Journal article
Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 134 Issue 26 Pages 10911-10919
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Porous solids with organized multiple porosity are of scientific and technological importance for broadening the application range from traditional areas of catalysis and adsorption/separation to drug release and biomedical imaging. Synthesis of crystalline porous materials offering a network of uniform micro- and mesopores remains a major scientific challenge. One strategy is based on variation of synthesis parameters of microporous networks, such as, for example, zeolites or metal organic frameworks (MOFs). Here, we show the rational development of an hierarchical variant of the microporous cubic Cu-3(BTC)(2) (BTC = 1,3,5-benzenetricarboxylate) HKUST-1 MOF having strictly repetitive S inn wide mesopores separated by uniform microporous walls in a single crystal structure. This new material coined COK-15 (COK = Centrum voor Oppervlaktechemie en Katalyse) was synthesized via a dual-templating approach. Stability was enhanced by Keggin type phosphotungstate (HPW) systematically occluded in the cavities constituting the walls between the mesopores.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000305863900037 Publication Date 2012-06-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 83 Open Access
Notes Iap; Fwo Approved Most recent IF: 13.858; 2012 IF: 10.677
Call Number (up) UA @ lucian @ c:irua:100330 Serial 514
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Author Hervieu, M.; Pelloquin, D.; Michel, C.; Van Tendeloo, G.; Raveau, B.
Title Structural characteristics of the 40K superconductor Bi2Sr5Cu3(CO3)2O10: a HREM study Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 112 Issue Pages 139-147
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PG30500024 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 5 Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:10034 Serial 3216
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Author Shpanchenko, R.V.; Nistor, L.; Van Tendeloo, G.; Amelinckx, S.; Antipov, E.V.; Kovba, L.M.
Title High resolution electron microscopic study of Ba7Sc6Al2O19 and related phases Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 113 Issue Pages 193-203
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PP02200027 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 3 Open Access
Notes Approved no
Call Number (up) UA @ lucian @ c:irua:10036 Serial 1443
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Author Rykov, A.; Caignaert, V.; Van Tendeloo, G.; Greneche, J.M.; Studer, F.; Nguyen, N.; Ducouret, A.; Bonville, P.; Raveau, B.
Title Structural aspects and antiferromagnetic ordering in the “123” derivative LnSr2Cu2Ga1-xFexO7-\delta (Ln = Y, Ho) Type A1 Journal article
Year 1994 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 113 Issue Pages 94-108
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1994PP02200014 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.133 Times cited 9 Open Access
Notes Approved
Call Number (up) UA @ lucian @ c:irua:10037 Serial 3204
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Author Kalidindi, S.B.; Hyunchul, O.; Hirscher, M.; Esken, D.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A.
Title Metal@COFs : covalent organic frameworks as templates for Pd nanoparticles and hydrogen storage properties of Pd@COF-102 hybrid material Type A1 Journal article
Year 2012 Publication Chemistry: a European journal Abbreviated Journal Chem-Eur J
Volume 18 Issue 35 Pages 10848-10856
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Three-dimensional covalent organic frameworks (COFs) have been demonstrated as a new class of templates for nanoparticles. Photodecomposition of the [Pd(eta 3-C3H5)(eta 5-C5H5)]@COF-102 inclusion compound (synthesized by a gas-phase infiltration method) led to the formation of the Pd@COF-102 hybrid material. Advanced electron microscopy techniques (including high-angle annular dark-field scanning transmission electron microscopy and electron tomography) along with other conventional characterization techniques unambiguously showed that highly monodisperse Pd nanoparticles ((2.4 +/- 0.5) nm) were evenly distributed inside the COF-102 framework. The Pd@COF-102 hybrid material is a rare example of a metal-nanoparticle-loaded porous crystalline material with a very narrow size distribution without any larger agglomerates even at high loadings (30 wt %). Two samples with moderate Pd content (3.5 and 9.5 wt %) were used to study the hydrogen storage properties of the metal-decorated COF surface. The uptakes at room temperature from these samples were higher than those of similar systems such as Pd@metalorganic frameworks (MOFs). The studies show that the H2 capacities were enhanced by a factor of 2-3 through Pd impregnation on COF-102 at room temperature and 20 bar. This remarkable enhancement is not just due to Pd hydride formation and can be mainly ascribed to hydrogenation of residual organic compounds, such as bicyclopentadiene. The significantly higher reversible hydrogen storage capacity that comes from decomposed products of the employed organometallic Pd precursor suggests that this discovery may be relevant to the discussion of the spillover phenomenon in metal/MOFs and related systems.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000307782800013 Publication Date 2012-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-6539; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.317 Times cited 88 Open Access
Notes Fwo Approved Most recent IF: 5.317; 2012 IF: 5.831
Call Number (up) UA @ lucian @ c:irua:100469 Serial 2007
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Author Adamson, P.; Hadermann, J.; Smura, C.F.; Rutt, O.J.; Hyett, G.; Free, D.G.; Clarke, S.J.
Title Competing magnetic structures and the evolution of copper ion/vacancy ordering with composition in the manganite oxide chalcogenides Sr2MnO2Cu1.5(S1-xSex)2 Type A1 Journal article
Year 2012 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 24 Issue 14 Pages 2802-2816
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The series Sr2MnO2Cu1.5(S1-xSex)(2) (0 <= x <= 1) contains mixed-valent Mn ions (Mn2+/Mn3+) in MnO2 sheets which are separated by copper-deficient antifluorite-type Cu(2-delta)Ch(2) layers with delta similar to 0.5. The compounds crystallize in the structure type first described for Sr2Mn3Sb2O2 and are described in the I4/mmm space group at ambient temperatures. Below about 250 K, ordering between Cu+ ions and tetrahedral vacancies occurs which is long-range and close to complete in the sulfide-containing end member of the series Sr2MnO2Cu1.5S2 but which occurs over shorter length scales as the selenide content increases. The superstructure is an orthorhombic 2 root 2a x root 2a x c expansion in Ibam of the room temperature cell. For x > 0.3 there are no superstructure reflections evident in the X-ray or neutron diffraction patterns, and the I4/mmm description is valid for the average structure at all temperatures. However, in the pure selenide end member, Sr2MnO2Cu1.5Se2, diffuse scattering in electron diffractograms and modulation in high resolution lattice image profiles may arise from short-range Cu/vacancy order. All members of the series exhibit long-range magnetic order. In the sulfide-rich end member and in compounds with x < 0.1 in the formula Sr2MnO2Cu1.5(S1-xSex)(2), which show well developed superstructures due to long-range Cu/vacancy order, the magnetic structure has a (1/4 1/4 0) propagation vector in which ferromagnetic zigzag chains of Mn moments in the MnO2 sheets are coupled antiferromagnetically in an arrangement described as the CE-type magnetic structure and found in many mixed-valent perovskite and Ruddlesden-Popper type oxide manganites. In these cases the magnetic cell is an a x 2b x c expansion of the low temperature Ibam structural cell. For x >= 0.2 in the formula Sr2MnO2Cu1.5(S1-xSex)(2) the magnetic structure has a (0 0 0) propagation vector and is similar to the A-type structure, also commonly adopted by some perovskite-related manganites, in which the Mn moments in the MnO2 sheets are coupled ferromagnetically and long-range antiferromagnetic order results from antiferromagnetic coupling between planes. In the region of the transition between the two different structural and magnetic long-range ordering schemes (0.1 < x < 0.2) the two magnetic structures coexist in the same sample. The evolution of the competition between magnetic ordering schemes and the length scale of the structural order with composition in Sr2MnO2Cu1.5(S1-xSex)(2) suggest that the changes in magnetic and structural order are related consequences of the introduction of chemical disorder.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000306674200024 Publication Date 2012-06-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access
Notes Esteem 026019 Approved Most recent IF: 9.466; 2012 IF: 8.238
Call Number (up) UA @ lucian @ c:irua:100839 Serial 435
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Author Quintana, M.; Grzelczak, M.; Spyrou, K.; Calvaresi, M.; Bals, S.; Kooi, B.; Van Tendeloo, G.; Rudolf, P.; Zerbetto, F.; Prato, M.
Title A simple road for the transformation of few-layer graphene into MWNTs Type A1 Journal article
Year 2012 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 134 Issue 32 Pages 13310-13315
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report the direct formation of multiwalled carbon nanotubes (MWNT) by ultrasonication of graphite in dimethylformamide (DMF) upon addition of ferrocene aldehyde (Fc-CHO). The tubular structures appear exclusively at the edges of graphene layers and contain Fe clusters. Pc in conjunction with benzyl aldehyde, or other Fc derivatives, does not induce formation of NT. Higher amounts of Fc-CHO added to the dispersion do not increase significantly MWNT formation. Increasing the temperature reduces the amount of formation of MWNTs and shows the key role of ultrasound-induced cavitation energy. It is concluded that Fc-CHO first reduces the concentration of radical reactive species that slice graphene into small moieties, localizes itself at the edges of graphene, templates the rolling up of a sheet to form a nanoscroll, where it remains trapped, and finally accepts and donates unpaired electron to the graphene edges and converts the less stable scroll into a MWNT. This new methodology matches the long held notion that CNTs are rolled up graphene layers. The proposed mechanism is general and will lead to control the production of carbon nanostructures by simple ultrasonication treatments.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000307487200034 Publication Date 2012-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863;1520-5126; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.858 Times cited 56 Open Access
Notes This work was supported by the University of Trieste, the Italian Ministry of Education MIUR (cofin Prot. 20085M27SS), the European Union through the ERC grant No. 246791 – COUNTATOMS, the grant agreement for an Integrated Infrastructure Initiative N. 262348 ESMI, and the “Graphene-based electronics” research program of the Foundation for Fundamental Research on Matter (FOM). Approved Most recent IF: 13.858; 2012 IF: 10.677
Call Number (up) UA @ lucian @ c:irua:101109 Serial 3003
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Author Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G.
Title Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O3-y perovskites – perspective cathode materials for IT-SOFC Type A1 Journal article
Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 192 Issue Pages 186-194
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000307028300030 Publication Date 2012-03-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 5 Open Access
Notes Approved Most recent IF: 2.299; 2012 IF: 2.040
Call Number (up) UA @ lucian @ c:irua:101119 Serial 3279
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Author Phung, Q.M.; Vancoillie, S.; Delabie, A.; Pourtois, G.; Pierloot, K.
Title Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition : a comparative study of dissociation enthalpies Type A1 Journal article
Year 2012 Publication Theoretical chemistry accounts : theory, computation, and modeling Abbreviated Journal Theor Chem Acc
Volume 131 Issue 7 Pages 1238
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract RuCp2 (ruthenocene) and RuCpPy (cyclopentadienyl pyrrolyl ruthenium) complexes are used in ruthenium (Ru) atomic layer deposition (ALD) but exhibit a markedly different reactivity with respect to the substrate and co-reactant. In search of an explanation, we report here the results of a comparative study of the heterolytic and homolytic dissociation enthalpy of these two ruthenium complexes, making use of either density functional theory (DFT) or multiconfigurational perturbation theory (CASPT2). While both methods predict distinctly different absolute dissociation enthalpies, they agree on the relative values between both molecules. A reduced heterolytic dissociation enthalpy is obtained for RuCpPy compared to RuCp2, although the difference obtained from CASPT2 (19.9 kcal/mol) is slightly larger than the one obtained with any of the DFT functionals (around 17 kcal/mol). Both methods also agree on the more pronounced stability of the Cp- ligand in RuCpPy than in RuCp2 (by around 9 kcal/mol with DFT and by 6 kcal/mol with CASPT2).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307274300003 Publication Date 2012-07-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1432-881X;1432-2234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.89 Times cited 5 Open Access
Notes Approved Most recent IF: 1.89; 2012 IF: 2.233
Call Number (up) UA @ lucian @ c:irua:101139 Serial 2935
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