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PLS Analysis (pl + analysis)
Selected AbstractsDETECTION OF OLIVE OIL ADULTERATION WITH RAPESEED AND SUNFLOWER OILS USING MOS ELECTRONIC NOSE AND SMPE-MSJOURNAL OF FOOD QUALITY, Issue 1 2010SYLWIA MILDNER-SZKUDLARZ ABSTRACT The study analyzed the effectiveness of two types of electronic nose systems to detect adulteration of extra virgin olive oil (EVOO) with rapeseed and sunflower oils. Tested methods included volatile analysis with the electronic nose based on MOS sensors (HS-E nose) and by direct coupling of SPME to MS (SPME-MS). Volatile compounds were analyzed also by SPME-GC/MS. Samples of EVOO were mixed with different proportions, ranging from 5 to 50% (v/v), of seed oils and fingerprints of volatile profiles of all samples were generated. In order to obtain as much chemical information as possible and to find a volatile marker to detect adulterations of EVOO with seed oils, principal component analysis (PCA) and partial least squares (PLS) analyses were applied to the data. The application of PCA and PLS analyses to the data from two electronic noses and SMPE-GC/MS were sufficient to differentiate the adulterated samples from pure EVOO. Excellent results were obtained in the prediction of the percentage of adulteration by PLS analysis. SPME-GC-MS analysis with subsequent PCA yielded good results; however, it was time-consuming. The two electronic noses, with subsequent PCA treatment of data, offering the advantages of rapidity and reliability, enabled detection of olive oil adulteration with different contents of seed oils. PRACTICAL APPLICATIONS Virgin olive oil is highly appreciated by consumers due to its nutritional benefits. Thus, its adulteration with low-grade olive oils or cheaper vegetable oils could potentially be very profitable for sellers or raw material suppliers and may yield large economic profits. In this way, authentication of virgin olive oils has become an interesting subject from both commercial and health perspectives. It has been proved that the two proposed types of electronic nose systems facilitate reliable detection of rapeseed and sunflower oils in extra virgin olive oil. Both MOS and MS electronic noses are faster than the conventional SMPE-GC/MS analysis. These well-correlated methodologies, offering the advantages of rapidity and reliability, opened up a new way of detecting adulteration of virgin olive oils. [source] COVPROC method: strategy in modeling dynamic systemsJOURNAL OF CHEMOMETRICS, Issue 2 2003Satu-Pia Reinikainen Abstract A new procedure to select subsets in sequential dynamic systems is presented. Subsets of variables and samples to be included in a PLS model are considered. The approach is a combination of PLS analysis and standard regression methods. It is based on the H-principle of mathematical modeling, and therefore the aim is to balance improvement in fit and precision. One of the main aspects in the subset selection procedure is to keep the score space as large and as sensible as possible to gain a stable model. The procedure is described mathematically and demonstrated for a dynamic industrial case. The method is simple to apply and the motivation of the procedure is obvious for industrial applications. It can be used e.g. when modeling on-line systems. Copyright © 2003 John Wiley & Sons, Ltd. [source] Partial least squares path modelling for relations between baseline factors and treatment outcomes in periodontal regenerationJOURNAL OF CLINICAL PERIODONTOLOGY, Issue 11 2009Yu-Kang Tu Abstract Background: Some clinical outcome variables in periodontal research are mathematically coupled, and it is not feasible to include all the mathematically coupled variables in an ordinary least squares (OLS) regression analysis. The simplest solution to this problem is to drop at least one of the mathematically coupled variables. However, this solution is not satisfactory when the mathematically coupled variables have distinctive clinical implications. Material and Methods: Partial least squares (PLS) methods were used to analyse data from a study on guided tissue regeneration. Relationships between characteristics of baseline lesions and treatment outcomes after 1 year were analysed using PLS, and the results were compared with those from OLS regression. Results: PLS analysis suggested that there were multiple dimensions in the characteristics of baseline lesion: vertical dimension was positively associated with probing pocket depth (PPD) reduction and clinical attachment level (CAL) gain, whilst horizontal dimension was negatively associated with the outcome. Baseline gingival recession had a negative association with PPD reduction but a small positive one with CAL gain. Conclusion: PLS analysis provides new insights into the relationships between baseline characteristics of infrabony defects and periodontal treatment outcomes. The hypothesis of multiple dimensions in baseline lesions needs to be validated by further analysis of different datasets. [source] DETECTION OF OLIVE OIL ADULTERATION WITH RAPESEED AND SUNFLOWER OILS USING MOS ELECTRONIC NOSE AND SMPE-MSJOURNAL OF FOOD QUALITY, Issue 1 2010SYLWIA MILDNER-SZKUDLARZ ABSTRACT The study analyzed the effectiveness of two types of electronic nose systems to detect adulteration of extra virgin olive oil (EVOO) with rapeseed and sunflower oils. Tested methods included volatile analysis with the electronic nose based on MOS sensors (HS-E nose) and by direct coupling of SPME to MS (SPME-MS). Volatile compounds were analyzed also by SPME-GC/MS. Samples of EVOO were mixed with different proportions, ranging from 5 to 50% (v/v), of seed oils and fingerprints of volatile profiles of all samples were generated. In order to obtain as much chemical information as possible and to find a volatile marker to detect adulterations of EVOO with seed oils, principal component analysis (PCA) and partial least squares (PLS) analyses were applied to the data. The application of PCA and PLS analyses to the data from two electronic noses and SMPE-GC/MS were sufficient to differentiate the adulterated samples from pure EVOO. Excellent results were obtained in the prediction of the percentage of adulteration by PLS analysis. SPME-GC-MS analysis with subsequent PCA yielded good results; however, it was time-consuming. The two electronic noses, with subsequent PCA treatment of data, offering the advantages of rapidity and reliability, enabled detection of olive oil adulteration with different contents of seed oils. PRACTICAL APPLICATIONS Virgin olive oil is highly appreciated by consumers due to its nutritional benefits. Thus, its adulteration with low-grade olive oils or cheaper vegetable oils could potentially be very profitable for sellers or raw material suppliers and may yield large economic profits. In this way, authentication of virgin olive oils has become an interesting subject from both commercial and health perspectives. It has been proved that the two proposed types of electronic nose systems facilitate reliable detection of rapeseed and sunflower oils in extra virgin olive oil. Both MOS and MS electronic noses are faster than the conventional SMPE-GC/MS analysis. These well-correlated methodologies, offering the advantages of rapidity and reliability, opened up a new way of detecting adulteration of virgin olive oils. [source] Monitoring the film coating unit operation and predicting drug dissolution using terahertz pulsed imagingJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 12 2009Louise Ho Abstract Understanding the coating unit operation is imperative to improve product quality and reduce output risks for coated solid dosage forms. Three batches of sustained-release tablets coated with the same process parameters (pan speed, spray rate, etc.) were subjected to terahertz pulsed imaging (TPI) analysis followed by dissolution testing. Mean dissolution times (MDT) from conventional dissolution testing were correlated with terahertz waveforms, which yielded a multivariate, partial least squares regression (PLS) model with an R2 of 0.92 for the calibration set and 0.91 for the validation set. This two-component, PLS model was built from batch I that was coated in the same environmental conditions (air temperature, humidity, etc.) to that of batch II but at different environmental conditions from batch III. The MDTs of batch II was predicted in a nondestructive manner with the developed PLS model and the accuracy of the predicted values were subsequently validated with conventional dissolution testing and found to be in good agreement. The terahertz PLS model was also shown to be sensitive to changes in the coating conditions, successfully identifying the larger coating variability in batch III. In this study, we demonstrated that TPI in conjunction with PLS analysis could be employed to assist with film coating process understanding and provide predictions on drug dissolution. © 2009 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 98:4866,4876, 2009 [source] | ||||||||||