Research Topics
| Roma TaulerSummaryAffiliation: Universitat de Barcelona Country: Spain Publications
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Detail Information
Publications
Chemometric modeling of main contamination sources in surface waters of PortugalRoma Tauler
Department of Analytical Chemistry, University of Barcelona, Diagonal 647, Barcelona 08028, Spain
Environ Toxicol Chem 23:565-75. 2004..Main contamination sources of the analyzed SVOCs were identified and interpreted according to their chemical composition and according to their resolved geographical and temporal distribution profiles...
Chemometrics modelling of organic contaminants in fish and sediment river samplesEmma Peré-Trepat
Department of Analytical Chemistry, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain
Sci Total Environ 371:223-37. 2006....
Analysis of environmental samples by application of multivariate curve resolution on fused high-performance liquid chromatography-diode array detection mass spectrometry dataEmma Peré-Trepat
Department of Analytical Chemistry, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain
J Chromatogr A 1131:85-96. 2006..Mixtures of biocide compounds in standard mixtures and in environmental samples (sediment and wastewater samples) were analyzed with estimated quantitation errors below 12%...
Application of the local regression method interval partial least-squares to the elucidation of protein secondary structureSusana Navea
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Av Diagonal 647, 08028 Barcelona, Spain
Anal Biochem 336:231-42. 2005..iPLS has revealed new structural mode assignments related to less explored amide bands and has offered a satisfactory predictive ability using a small amount of selected specific spectral information...
Chemometric tools for classification and elucidation of protein secondary structure from infrared and circular dichroism spectroscopic measurementsSusana Navea
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Barcelona, Spain
Proteins 63:527-41. 2006..The predictive ability of the models built with the selected spectral regions has a quality similar to previous classical approaches...
Monitoring and modeling of protein processes using mass spectrometry, circular dichroism, and multivariate curve resolution methodsSusana Navea
Chemometrics Group, Department of Analytical Chemistry Universitat de Barcelona, Av Diagonal 647, 08028 Barcelona, Spain
Anal Chem 78:4768-78. 2006....
Application of chemometric methods to the investigation of main microcontaminant sources of endocrine disruptors in coastal and harbour waters and sedimentsEmma Peré-Trepat
Department of Analytical Chemistry, University of Barcelona, Diagonal 647, 08028 Barcelona, Spain
Anal Bioanal Chem 378:642-54. 2004..Main environmental contamination sources of these endocrine disruptor compounds were investigated and interpreted according to their chemical composition and according to their resolved geographical distribution profiles...
Chromatographic and spectroscopic data fusion analysis for interpretation of photodegradation processesSílvia Mas
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Av Diagonal, 647, 08028 Barcelona, Catalonia, Spain
J Chromatogr A 1218:9260-8. 2011....
Study of the photodegradation of 2-bromophenol under UV and sunlight by spectroscopic, chromatographic and chemometric techniquesAnusha Jayaraman
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Av Diagonal 647, 08028 Barcelona, Catalonia, Spain
J Chromatogr B Analyt Technol Biomed Life Sci 910:138-48. 2012..This strategy, uses the advantage of the good definition of the process time axis from the spectroscopic experiment and the capability to distinguish among compounds, linked to the use of chromatographic information...
Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by multivariate curve resolutionEmma Peré-Trepat
Department Analytical Chemistry, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain
J Chromatogr A 1096:111-22. 2005..5 cm) was used, MCR-ALS resolution of the more strongly coeluted compounds was also achieved but limitations were found in their simultaneous quantitative determination, specially for environmental samples...
Comprehensive description of the photodegradation of bromophenols using chromatographic monitoring and chemometric toolsSílvia Mas
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Av Diagonal, 647, 08028 Barcelona, Catalonia, Spain Environmental Chemometrics Group, Department of Environmental Chemistry, Institute of Environmental Assessment and Water Diagnostic IDAEA CSIC, Jordi Girona 18, Barcelona, 08034 Barcelona, Catalonia, Spain
Talanta 83:1134-46. 2011..This work reveals the advantages of the double DAD and MS detection to provide mechanistic and structural information about these complex photodegradation processes...
Factor analysis of hyphenated chromatographic data exploration, resolution and quantification of multicomponent systemsAnna de Juan
Chemometrics Group, Department of Analytical Chemistry, Universitat de Barcelona, Diagonal 647, 08028 Barcelona, Spain
J Chromatogr A 1158:184-95. 2007....
Solution equilibria of the i-motif-forming region upstream of the B-cell lymphoma-2 P1 promoterNasiruddin Khan
Department of Analytical Chemistry, University of Barcelona, Diagonal 647, E 08028 Barcelona, Spain
Biochimie 89:1562-72. 2007..6 yield identical interaction species with stoichiometries 1:2 (DNA:ligand) and logarithms of formation constant 12.4+/-0.2 and 11.7+/-0.1, respectively. The initial i-motif structure at pH 6.1 is lost upon interaction with TmPyP4...
Background correction and multivariate curve resolution of online liquid chromatography with infrared spectrometric detectionJulia Kuligowski
Department of Analytical Chemistry, University of Valencia, Edificio Jerónimo Muñoz, 50th Dr Moliner, E 46100 Burjassot, Spain
Anal Chem 83:4855-62. 2011....
