Chemometrics and Data Analysis in Chromatography最新文献

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Introductory Chapter: Mathematical Methods in Liquid Chromatography - The State-of-the-Art Developments and Challenges 导论章:液相色谱中的数学方法-最新的发展和挑战
Chemometrics and Data Analysis in Chromatography Pub Date : 2019-02-14 DOI: 10.5772/INTECHOPEN.84589
V. D. Hoang
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引用次数: 0
High-Order Calibration and Data Analysis in Chromatography 色谱中的高阶校准和数据分析
Chemometrics and Data Analysis in Chromatography Pub Date : 2018-11-05 DOI: 10.5772/INTECHOPEN.78624
Hai-Long Wu, Xiao-Dong Sun, Huan Fang, R. Yu
{"title":"High-Order Calibration and Data Analysis in Chromatography","authors":"Hai-Long Wu, Xiao-Dong Sun, Huan Fang, R. Yu","doi":"10.5772/INTECHOPEN.78624","DOIUrl":"https://doi.org/10.5772/INTECHOPEN.78624","url":null,"abstract":"Multiway data analysis and tensorial calibration are gaining widespread acceptance with the rapid development of multichannel chromatographic instruments. By combining chromatographic techniques with chemometrics based on high-order calibration methods, some traditional problems in analysis, such as complicated pretreatment steps, long elution times, or even worse analysis results, can be avoided/improved. This chapter presents an overview from second-order to third-order data that cover theories and applications together with corresponding data processing in chromatography.","PeriodicalId":309932,"journal":{"name":"Chemometrics and Data Analysis in Chromatography","volume":"13 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125314098","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}
引用次数: 1
Chemometrics-Based TLC and GC-MS for Small Molecule Analysis: A Practical Guide 基于化学计量学的TLC和GC-MS用于小分子分析:实用指南
Chemometrics and Data Analysis in Chromatography Pub Date : 2018-11-05 DOI: 10.5772/INTECHOPEN.77160
J. Vázquez-Martínez, Mercedes G. López
{"title":"Chemometrics-Based TLC and GC-MS for Small Molecule Analysis: A Practical Guide","authors":"J. Vázquez-Martínez, Mercedes G. López","doi":"10.5772/INTECHOPEN.77160","DOIUrl":"https://doi.org/10.5772/INTECHOPEN.77160","url":null,"abstract":"Nowadays, thin-layer chromatography (TLC) and gas chromatography/mass spectrom- etry (GC-MS) instruments can produce more data than even before. At this point, the use of mathematical and statistical tools has provided the key to resolve the information overload. In this chapter, a practical guide is provided for the TLC and GC-MS analysis of short-chain fatty acids (SCFAs), amino acids, and monosaccharides. A methodology for extracting and transforming the chromatographic data to a suitable format for chemometrics is described. Furthermore, a procedure for chemometric analysis based on principal components analysis and clustering analysis is suggested.","PeriodicalId":309932,"journal":{"name":"Chemometrics and Data Analysis in Chromatography","volume":"2013 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125657033","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}
引用次数: 4
Chromatographic Separation, Total Determination and Chemical Speciation of Mercury in Environmental Water Samples Using 4-(2-Thiazolylazo) Resorcinol-Based Polyurethane Foam Sorbent-Packed Column 环境水样中汞的4-(2-噻唑偶氮)间苯二酚基聚氨酯泡沫吸附填料柱色谱分离、总量测定及化学形态分析
Chemometrics and Data Analysis in Chromatography Pub Date : 2018-11-05 DOI: 10.5772/INTECHOPEN.81206
A. Al-Bagawi, W. Ahmad, H. Alwael, Z. Saigl, G. I. Mohammed, Y. M. Moustafa, E. A. Al-Harbi, M. El-Shahawi
{"title":"Chromatographic Separation, Total Determination and Chemical Speciation of Mercury in Environmental Water Samples Using 4-(2-Thiazolylazo) Resorcinol-Based Polyurethane Foam Sorbent-Packed Column","authors":"A. Al-Bagawi, W. Ahmad, H. Alwael, Z. Saigl, G. I. Mohammed, Y. M. Moustafa, E. A. Al-Harbi, M. El-Shahawi","doi":"10.5772/INTECHOPEN.81206","DOIUrl":"https://doi.org/10.5772/INTECHOPEN.81206","url":null,"abstract":"A simple method has been developed for quantitative retention of traces of mercury(II) ions from aqueous media using polyurethane foams (PUFs) loaded with 4-(2thiazolylazo) resorcinol (TAR). The kinetics and thermodynamics of the sorption of mercury(II) ions onto PUFs were studied. The sorption of mercury(II) ions onto PUF follows a first-order rate equation with k = 0.176 ± 0.010 min−1. The negative values of ΔH and ΔS may be interpreted as the exothermic chemisorption process and indicative of a faster chemisorption onto the active sites of the sorbent. The sorption data followed Langmuir, Freundlich and Dubinin-Radushkevich (D–R) isotherm models. The D-R parameters β, KDR and E were 0.329 mol2 kJ−2, 0.001 μmol g−1 and 1.23 ± 0.07 kJ/mol for the TAR-loaded PUFs, respectively. An acceptable retention and recovery (99.6 ± 1.1%) of mercury(II) ions in water at ≤10 ppb by the TAR-treated PUFs packed columns were achieved. A retention mechanism, involving absorption related to “solvent extraction” and an “added component” for surface adsorption, was suggested for the retention of mercury(II) ions by the used solid phase extractor. The performance of TAR-immobilized PUFs packed column in terms of the number (N), the height equivalent to a theoretical plate (HETP), the breakthrough and critical capacities of mercury(II) ion uptake by the sorbent packed column were found to be 50.0 ± 1.0, 1.01 ± 0.02 mm, 8.75 and 13.75 mg/g, respectively, at 5 mL/min flow rate.","PeriodicalId":309932,"journal":{"name":"Chemometrics and Data Analysis in Chromatography","volume":"45 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129086289","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}
引用次数: 0
Variability Characterization of the Olive Species Regarding Virgin Olive Oil Aroma Compounds by Multivariate Analysis of GC Data 用GC数据的多变量分析表征橄榄种初榨橄榄油香气化合物的变异性
Chemometrics and Data Analysis in Chromatography Pub Date : 2018-11-05 DOI: 10.5772/INTECHOPEN.76343
C. Sanz, A. Belaj, M. Pascual, A. G. Pérez
{"title":"Variability Characterization of the Olive Species Regarding Virgin Olive Oil Aroma Compounds by Multivariate Analysis of GC Data","authors":"C. Sanz, A. Belaj, M. Pascual, A. G. Pérez","doi":"10.5772/INTECHOPEN.76343","DOIUrl":"https://doi.org/10.5772/INTECHOPEN.76343","url":null,"abstract":"Virgin olive oil is characterized by its unique aroma, which is synthesized when olive fruits are crushed during the industrial process used for oil production. The genetic variability of the major volatile compounds comprising the oil aroma was studied in a representative sample of olive cultivars from the World Olive Germplasm Collection (IFAPA, Cordoba, Spain). The analytical data demonstrated that a high degree of variabil- ity for the content of volatile compounds is found in the olive species and that most of the volatile compounds found in the oils were synthetized by the enzymes included in the so-called lipoxygenase pathway. The use of multivariate analysis to identify cultivars is particularly interesting in terms of volatile composition and deduced organoleptic qual- ity. It can be used for identification of old olive cultivars that give rise to oils with a high organoleptic quality and in parent selection for olive breeding programs.","PeriodicalId":309932,"journal":{"name":"Chemometrics and Data Analysis in Chromatography","volume":"57 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2018-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124849751","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}
引用次数: 0
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