Search results for "CHEMOMETRIC"
showing 10 items of 109 documents
Use of linear discriminant analysis applied to vibrational spectroscopy data to characterize commercial varnishes employed for art purposes.
2007
An improvement of methodologies for characterising synthetic resins used in varnishes employed for art purposes has been suggested. Several kinds of standard of the most common polymeric resins (acrylic, vinyl, poly(vinyl alcohol), alkyd, cellulose nitrate, latex, polyester, polyurethane, epoxy, organosilicic, and ketonic) were analyzed by Fourier transform infrared (FTIR) spectroscopy. Synthetic resins characterization is based on the mathematical treatment of their whole spectrum, dividing it in 13 sections, avoiding the one-by-one interpretation of the absorption bands. The mathematical model takes as variables the maximal absorbance of each section, and each synthetic standard resin as …
The generalized H-point standard-additions method to determine analytes present in two different chemical forms in unknown matrix samples. Part I. Ge…
2000
This paper shows how the generalized H-point standard-additions method (GHPSAM) can be used to obtain the total concentration or concentrations of different chemical forms of an analyte when the matrix of the sample is completely unknown. The spectral regions where the interferent behaviour can be considered as linear are found and the analyte concentration free from bias error is estimated. This paper includes the already published features of the GHPSAM and a new modification of this method which allows the simultaneous determination of two chemical forms of an analyte in a sample.
Determination of the cultivar and aging of Sicilian olive oils using HPLC-MS and linear discriminant analysis
2010
A large number of certified samples (84) of Sicilian olive oils arising from the eight cultivars most represented in Sicily (Biancolilla, Cerasuola, Moresca, Nocellara del Belice, Nocellara Etnea, Oglialora Messinese, Brandofino and Tonda Iblea) have been collected and analyzed by HPLC/MS using an atmospheric pressure chemical ionization (APCI) source. The sample preparation is very simple; in fact, the oil samples are diluted without any chemical derivatization. A following statistical data treatment by general discriminant analysis (GDA) allows the determination of the olive oil cultivar. Furthermore, changes in the composition of glyceridic components of the olive oils lead to easy discr…
An integrated approach of analytical chemistry
1999
The tremendous development of physical methods of analysis offers an impressive number of tools to simultaneously determine a large number of elements and compounds at very low concentration levels. Todays Analytical Chemistry provides appropriate media to solve technical problems and to obtain correct information about chemical systems in order to take the most appropriate decisions for problem solving. In recent years the development of new strategies for sampling, sample treatment and data exploitation through the research on field sampling, microwaveassisted procedures and chemometrics, additionally the revolution of the analytical methodology provided by the development of flow analysi…
Enantioseparation of nuarimol by affinity electrokinetic chromatography-partial filling technique using human serum albumin as chiral selector
2008
The present paper deals with the enantiomeric separation of nuarimol enantiomers by affinity EKC-partial filling technique using HSA as chiral selector. Firstly, a study of nuarimol interactions with HSA by CE-frontal analysis was performed. The binding parameters obtained for the first site of interaction were n(1) = 0.84; K(1) = 9.7 +/- 0.3x10(3 )M(-1) and the protein binding percentage of nuarimol at physiological concentration of HSA was 75.2 +/- 0.2%. Due to the moderate affinity of nuarimol towards HSA the possibility of using this protein as chiral selector for the separation of nuarimol using the partial filling technique was evaluated. A multivariate optimization approach of the mo…
Effect of partial replacement of meat by carrot on physicochemical properties and fatty acid profile of fresh turkey sausages: a chemometric approach
2020
BACKGROUND This study evaluated the modification of physicochemical characteristics and fatty acid composition of fresh turkey sausages manufactured including carrot (Daucus carota L.) as a vegetable source (i.e., 10%, 20% and 30%, w/w). RESULTS The results were compared with sausages used as controls (i.e., containing 100% turkey meat, w/w). Overall, significant differences were detected for all of the evaluated attributes. The inclusion of 20% and 30% carrot (w/w) in the sausages resulted in a reduction of the lipid content (by 5.42 and 5.26 g/100 g, respectively) and reduced energy value (-7.6%). The color parameters were strongly affected by the inclusion of carrot, recording a signific…
Combined effect of solvent content, temperature and pH on the chromatographic behaviour of ionisable compounds.
2008
The organic solvent content and the pH in the mobile phase are the usual main factors in reversed-phase liquid chromatographic separations, owing to their strong effects on retention and/or selectivity. Temperature is often neglected. However, even in cases where the impact of this factor on selectivity is minor, the reduction in analysis time is still an interesting reason to consider it. In addition, ionisable compounds may exhibit selectivity changes, owing to the interaction of organic solvent and/or temperature with pH. The separation of ionisable compounds (nine diuretics: bendroflumethiazide, benzthiazide, bumetanide, chlorthalidone, furosemide, piretanide, probenecid, trichloromethi…
Chapter 68 - Identification of Key Gin Aroma Compounds: An Integrative Approach Based on an Original Selection Procedure
2014
International audience; Potential impact aroma compounds of gin have been identified using Gas Chromatogry Olfactometry Mass-Spectrometry (GC-O-MS). In order to select some of them for a recombination study, we developed a specific procedure. Instead of only choosing the compounds on criteria such as their odor quality or their odor activity values, we also used physico-chemical parameters and information on their botanical origin. Data were organized in blocks homogeneous in terms of parameter type. Different statistical treatments were used in order to classify the compounds either by analyzing the parameters altogether or separately block by block.
Chemometric Tools to Point Out Benchmarks and Chromophores in Pigments through Spectroscopic Data Analyses
2021
Spectral preprocessing data and chemometric tools are analytical methods widely applied in several scientific contexts i.e., in archaeometric applications. A systematic classification of natural powdered pigments of organic and inorganic nature through Principal Component Analysis with a multi-instruments spectroscopic study is presented here. The methodology allows the access to elementary and molecular unique benchmarks to guide and speed up the identification of an unknown pigment and its recipe. This study is conducted on a set of 48 powdered pigments and tested on a real-case sample from the wall painting in S. Maria Delle Palate di Tusa (Messina, Italy). Four spectroscopic techniques …
Synergistic enhancement via plasmonic nanoplate-bacteria-nanorod supercrystals for highly efficient SERS sensing of food-borne bacteria
2017
Bio-sensing techniques utilizing metallic nanoparticles as a probe have gained more and more attention and play today an important role in the detection of bacteria. To date, although several sensing materials have been tested, there is still a long way to go to achieve a fast, low-cost, ultrasensitive and multifunctional substrate suitable for a universal biosensor for detection of bacterial cells. Here, we report a novel probe design based on anisotropic plasmonic nanoparticles organized to a biocompatible 3D bio-inorganic scaffold, i.e., nanoplate-bacteria-nanorod supercrystals (NBNS) with extremely high surface-enhanced Raman spectroscopic (SERS) activity as a model of synergistic plasm…