AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000131
J. Goupy
{"title":"Boolean experimental designs","authors":"J. Goupy","doi":"10.1051/ANALUSIS:2000131","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000131","url":null,"abstract":"Experimental designs are generally interpreted using a polynomial mathematical model. But this mathematical model is not always appropriate and may sometimes not describe the phenomenon studied. Boolean experimental designs can conceived if the factors and the response can be treated as boolean variables. The results provided are then intrepreted using Boolean algebra. We have treated a real example, the setting of an instrument for analytical chemistry using both classical and boolean interpretations. The classical treatment give surprising results, with one strong interaction between two non-influent factors and interactions of order 3 and 4. The boolean interpretation gives comprehensive results and provides simple rules for the instrument settings. Boolean modelling for the responses of an experimental design opens a new and complementary approach to the classical method that uses generally mathematical polynoms. In some cases it can provide a better interpretation of the phenomenon than the ordinary methodology.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"3 1","pages":"563-570"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78800509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000133
S. Salomon, P. Giamarchi, A. Bihan
{"title":"Desirability approach for optimisation of electrothermal atomic absorption spectrometry factors in iron determinations","authors":"S. Salomon, P. Giamarchi, A. Bihan","doi":"10.1051/ANALUSIS:2000133","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000133","url":null,"abstract":"We report here on from determination in sea matrix by electrothermal atomic absorption spectrometry. We optimised the experimental conditions of the spectroscopic factors, i.e. entrance monochromator slit height, slit width and lamp current, and of the electrothermal factors, i.e. calcination temperature, calcination duration, atomisation temperature and injected volume, since these two groups are independent. Because of the technical constraints occuring on our experimental domain of study we built a D-optimal experimental design to conduct these optimisations. We monitored three experimental responses, i.e. the standard deviation of the instantaneous specific absorbance, the specific integrated absorbance and the non-specific integrated absorbance. The three of them clearly showed an optimum in three opposed experimental conditions. Consequently, a desirability transformation of the experimental responses permitted us to obtain a better compromise. We, finally, computed a new experimental response which took the raw measurements into account to directly estimate the limits of detection. The optimisation of this computed response showed us that the lowest detection limit was obtained under the same experimental compromise than the one suggested by the desirability study. This result allowed us to validate the computed response as an interesting optimisation criterion in electrothermal atomic absorption spectrometry.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"52 1","pages":"575-586"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84014752","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000139
K. Audouze, F. Ros, M. Pintore, J. Chrétien
{"title":"Prediction of odours of aliphatic alcohols and carbonylated compounds using fuzzy partition and self organising maps (SOM)","authors":"K. Audouze, F. Ros, M. Pintore, J. Chrétien","doi":"10.1051/ANALUSIS:2000139","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000139","url":null,"abstract":"A set of 114 olfactory molecules divided into fruity, ethereal and camphoraceous compounds, was submitted to an analysis by Kohonen Neural Networks, also known as Self Organising Map (SOM). The compounds are represented in a hyperspace derived from their molecular descriptors and SOM gives a useful projection of this hyperspace onto a 2D map. Owing to the complexity of the olfaction mechanism, evidenced by the fact that one compound can exhibit simultaneously different properties, SOM alone is unable to take into account the olfaction diversity of the original 114 compounds, Then, a Fuzzy Partition method was applied on the Kohonen map previously developed. The obtained results allowed delineating different representative zones for the three odours, expressing more closely the olfactory richness. The ability of the Hybrid System combining SO and Fuzzy Partition to model the three odours was validated by dividing the 114 compounds into a training set and a test set, including 86 and 28 molecules, respectively. The most important olfactory characteristics were reproduced satisfactorily for the entire test set compounds.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"35 1","pages":"625-632"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78564910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000137
L. Macaluso, C. Lapeyre
{"title":"Characterisation of the staphylococcal enterotoxin research method in a dairy product","authors":"L. Macaluso, C. Lapeyre","doi":"10.1051/ANALUSIS:2000137","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000137","url":null,"abstract":"The staphylococcal enterotoxin research method is a quantitative method, involving a sample preparation and an imunoenzymatic detection. In order to estimate its performance characteristics, a method characterisation is carried out with a single dairy product and for staphyloccal enterotoxin A. Statistical analysis shows that the method is linear over a contamination interval between 0 - 1 ng SEA per gram of cheese. The limit of detection is about 0.01 ng SEA per gram of cheese and the limit of quantification is about 0.04 ng SEA per gram of cheese. The intra laboratory repeatability and intermediate precision are estimated on two levels of contamination. The repeatability coefficient of variation is included between 3.1 % and 6.2 %, the intermediate precision coefficient of variation is included between 4.7 % and 11.0 %.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"152 1","pages":"610-615"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77406558","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000135
B. Motamed, J. Böhm, D. Hennequin, H. Texier, R. Mosrati, D. Barillier
{"title":"■ Development of an HPLC method for the determination of phenolic by-products: optimisation of the separation by means of the experimental designs methodology","authors":"B. Motamed, J. Böhm, D. Hennequin, H. Texier, R. Mosrati, D. Barillier","doi":"10.1051/ANALUSIS:2000135","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000135","url":null,"abstract":"The separation of nine phenolic by-products was realized by Reverse Phase HPLC using a binary gradient water-acetic acid/acetonitrile whose elution program was optimized by means of the experimental design methodology. Significant factors are: the initial isocratic elution time, the gradient running time and the gradient curvature. Modelization was made by using a central composite plane in 17 experiments. Responses were measured by the resolution between four couples of components: p-hydroxybenzaldehyde, acetovanilone - acetosyringone and acetosyringone - benzoic acid. According to the resulting quatraic model, an optimized program of gradient elution was set up and successfully tested as it gives satisfactory separations (isocratic elution time: 8 min; gradient running time from 1 % to 25 % acetonitrile: 40 min; linear gradient; room temperature).","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"363 1","pages":"592-599"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78121536","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000134
A. Dorthe, J.-L. Ramberti, A. Thienpont
{"title":"Experimental design optimization of chromatographic separation for polycyclic aromatic hydrocarbons in vegetable oils","authors":"A. Dorthe, J.-L. Ramberti, A. Thienpont","doi":"10.1051/ANALUSIS:2000134","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000134","url":null,"abstract":"HPLC with an electron acceptor stationary phase called tetrachlorophtalimidopropyl (TCP) was used to separate Polycyclic Aromatic Hydrocarbons (PAHs) in vegetable oil without any preparation of the samples being studied. Using an hexane/methylterbutylether mobile phase then an hexane/dichloromethane one, it was possible to separate triglycerids and tocopherols from PAH fraction. A fractional factorial design 2 7-4 was used to perform the fractionating then the separation of the PAH fraction with the minimum of experiments. Seven factors were examined and the chromatography quality was evaluated through four answers. Finally, the predictions of the models and the characteristics of the separation were compared: the agreement was very good.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"77 1","pages":"587-591"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73989417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000132
J. Heughebaert, A. Lebugle, F. Vu, R. Phan-tan-luu
{"title":"Central composite design and optimization by multiresponse analysis of octacalcium phosphate synthesis","authors":"J. Heughebaert, A. Lebugle, F. Vu, R. Phan-tan-luu","doi":"10.1051/ANALUSIS:2000132","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000132","url":null,"abstract":"Synthesis of octacalcium phosphate (OCP) by hydrolysis of brushite was studied using a 3 block central composite design including 4 factors and 6 responses. Analysis of the responses allowed the definition of one set of experimental conditions in which OCP was obtained with the highest overall desirability (87.6 %).","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"49 1","pages":"571-574"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79006624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000138
A. Kamoun, M. Chaâbouni
{"title":"Chemometrics applied to the optimization of the preparation of hydrotropes for detergents starting from BTX fraction of natural gas","authors":"A. Kamoun, M. Chaâbouni","doi":"10.1051/ANALUSIS:2000138","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000138","url":null,"abstract":"Manufacturers of cleaning products use hydrotopes to increase the solubility of surfactants in concentrated liquid detergents. In contrast to benzenesulfonate, alkylbenzenesulfonates with short chains (n < 4) are used as hydrotopes. In this paper, we present the results obtained from the preparation of toluenesulfonic and xylenesulfonic acids by selective sulfonation of toluene and xylenes present in the BTX fraction (benzene, toluene, xylenes) of the Tunisian natural gas MISKAR deposit. Chemometrics were applied to determine the optimal experimental conditions for the selective sulfonation of toluene and xylenes, we use a 2 IV 6-2 fractional factorial design in addition to several analytical methods (GC, HPLC, FTIR...). These conditions were found to be: the use of concentrated sulfuric acid as sulfonating agent, the azeotropic elimination of water during the reaction, a temperature of 110 °C, a duration of 9 hours and a molar ratio of sulfuric acid to toluene plus xylenes of 0.8. The application of all of these experimental conditions gives an aqueous phase with a composition that can be used very effectively as hydrotope agent in liquid detergents. This conclusion was the outcome from comparing the effect of our product on the clear point of a typical premium formulation of a liquid detergent to that of sodium xylenesulfonates, the most important hydrotope for light duty liquids.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"95 1","pages":"616-625"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77787095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AnalusisPub Date : 2000-09-01DOI: 10.1051/ANALUSIS:2000136
S. Barra, F. Boulanger, A. Trapani, D. Cabrol-Bass
{"title":"■ Modeling properties of water-based paints dried by microwaves from the design and analysis of a mixture-process experiment","authors":"S. Barra, F. Boulanger, A. Trapani, D. Cabrol-Bass","doi":"10.1051/ANALUSIS:2000136","DOIUrl":"https://doi.org/10.1051/ANALUSIS:2000136","url":null,"abstract":"Heightened environmental awareness has lead major paint companies to develop environmentally friendly waterborne coatings. Recently, microwave radiation has been used to accelerate the drying of industrial waterborne coatings. The aim of this study was to develop statistical models to optimise the performance of microwave radiation dried paints. This paper explores the effects and interactions between the major components of the paints and examines how these interactions affect the properties of the paints. A combined mixture with a double factorial design, including several types of components, has been used in this work. Eight paint properties and three microwave energy levels have been considered on each point of the experimental design. A computer simulation consisting of 12 separate models has been developed that accurately predicts the performance of paint.","PeriodicalId":8221,"journal":{"name":"Analusis","volume":"2 1","pages":"600-610"},"PeriodicalIF":0.0,"publicationDate":"2000-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89325013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}