Search results for "Data treatment"
showing 7 items of 7 documents
Data Treatment and Error Analysis in Kinetics
2000
Methods of data treatment in kinetics are reviewed from a practical viewpoint. The equations to describe the kinetics of chemical reactions and the methodology to obtain the models are presented. Moreover, the integration methods that are needed for the simulation of complex reactions are explained, from the simple first-order reaction to the complex general mechanism. However, it is essential to know the main sources of error in data treatment in order to reduce their effects on the results. Stress is put on the analysis of the errors due to the simplification of complex models. The different factors that influence the kinetics of the reaction are reviewed. How to take advantage of the kin…
Influence of data treatment on the shape of 2H NMR T1 curves
1993
A new interpretation of 2H T1 data of glass-forming systems in the range of the range of the caloric glass transition temperature has been proposed. It is shown that with the traditional treatment of the data the timescale of structural relaxation has an influence on the observed spin-lattice relaxation times. Avoiding this problem with a different treatment of the experimental data, it is possible to compare the 2H T1 data directly with corresponding 1H data.
Mössbauer studies on tin(IV) and organotin(IV) diacetylbis(benzoylhydrazone) complexes
1974
Abstract The Mossbauer parameters of Ph 2 SnDB, PhClSnDB and Sn(DB) 2 were determined, where DB 2− is the dianion of the multidentate ligand diacetylbis(benzoylhydrazone). According also to data treatment with the point charge model formalism, the configurations of Ph 2 Sn IV and PhSn IV derivatives appear to be essentially octahedral, with linear CSnC and CSnCl skeletons. As to Sn(DB) 2 , it appears that the electrical charge density at the Sn IV nucleus has a cubic symmetry, which is consistent with both tetrahedral and octahedral configurations around Sn IV .
Development of Methods for Olive Oil Quality Evaluation
2012
In this work, a simple and quick method for olive oil classification according to its quality grades, based on direct infusion ESI–MS and LDA, was developed. Moreover, mixtures of EVOO and VOO, and binary mixtures of these two oils with olive oils of lower quality grade have been also evaluated using this methodology and MLR and PLS data treatment.
Authentication of protected designation of origin artichokes by spectroscopy methods
2016
Abstract Artichoke samples with the protected designation of origin (PDO) ‘Alcachofa de Benicarlo’ were discriminated from those produced in other towns surrounding Valencia and Murcia, outside the PDO frame. Inductively coupled plasma (ICP-OES), near infrared (NIR) and X-ray fluorescence (XRF) were assayed in order to achieve a correct sample classification of the three different origin sample groups (Benicarlo, Valencia and Murcia). Chemometrics was used to compare the ability of classification of artichoke from their origin by using concentration data of mineral elements, determined by ICP-OES, NIR spectra and XRF spectra. Multivariate analysis tools, as principal component analysis (PCA…
Chemical and Microbiological Characterization for PDO Labelling of Typical East Piedmont (Italy) Salami
2015
This study is focused on the characterisation of typical salami produced in Alessandria province (North West of Italy). Seventeen small or medium salami producers from this area were involved in the study and provided the samples investigated. The aim is double and consists in obtaining a screening of the characteristics of different products and following their evolution along ripening. The study involved five types of typical salami that were characterised for aroma components and nutritional features. This approach could provide a basis for a possible PDO or PGI label request. Principal Component Analysis and cluster analysis were used as multivariate statistical tools for data treatment…
Development of Methods for the Classification of Vegetable Oils According to Their Botanical Origin
2012
The aim of this work was to construct an LDA model able to classify vegetable oils according to their botanical origin using FTIR spectroscopy data. Also, FTIR data treatment by MLR was used to detect and quantify EVOO adulteration with other low cost edible oils. For these purposes, the vegetable oils shown in Table 5.1 were used. The FTIR spectra of these 30 oil samples were then measured. In all cases, at least two spectra were recorded for each sample. As indicated in this table, four samples of each botanical origin were used to construct a training set in the classification studies, while the remaining samples of each category were employed to evaluate the prediction capability of the…