Combined cluster and discriminant analysis: An efficient chemometric approach in diesel fuel characterization

Novák, Martin; Palya, Dóra; Bodai, Zsolt; Nyíri, Zoltán; Magyar, Norbert; Kovács, József; Eke, Zsuzsanna

doi:10.1016/j.forsciint.2016.11.025

Cited by 27 publications

(6 citation statements)

References 22 publications

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“…HCA, or cluster analysis, is used to group samples based on equations. HCA is able to classify halal and non-halal meat products based on the similarities between their lipid compounds [ 101 ], whilst discriminant analysis such as PLS-DA will distinguish the components present in the samples [ 102 , 103 ]. Combination of more than one chemometric method is commonly used in lipidomic studies to ensure accurate analysis and data interpretation [ 104 ].…”

Section: Chemometrics Applications In Lipidomic Analysis For Halal Au...mentioning

confidence: 99%

The Application of Chemometrics in Metabolomic and Lipidomic Analysis Data Presentation for Halal Authentication of Meat Products

et al. 2022

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The halal status of meat products is an important factor being considered by many parties, especially Muslims. Analytical methods that have good specificity for the authentication of halal meat products are important as quality assurance to consumers. Metabolomic and lipidomic are two useful strategies in distinguishing halal and non-halal meat. Metabolomic and lipidomic analysis produce a large amount of data, thus chemometrics are needed to interpret and simplify the analytical data to ease understanding. This review explored the published literature indexed in PubMed, Scopus, and Google Scholar on the application of chemometrics as a tool in handling the large amount of data generated from metabolomic and lipidomic studies specifically in the halal authentication of meat products. The type of chemometric methods used is described and the efficiency of time in distinguishing the halal and non-halal meat products using chemometrics methods such as PCA, HCA, PLS-DA, and OPLS-DA is discussed.

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Section: Chemometrics Applications In Lipidomic Analysis For Halal Au...mentioning

confidence: 99%

The Application of Chemometrics in Metabolomic and Lipidomic Analysis Data Presentation for Halal Authentication of Meat Products

et al. 2022

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“…In the application of mass spectrometry technology, stable isotope ratio mass spectrometry technology is widely used in the origin tracing and identification of products. At first, it was used in the research of food identification, and then it was successfully used in the traceability of crude oil, diesel oil and other compounds [12][13][14] . This technology can trace the origin of materials by identifying the unique isotopic geographical characteristics of the origin of materials, which is similar to the unique "fingerprint" of human body, and has great guiding significance for the origin traceability of various products (including hazardous chemicals).…”

Section: Analysis Technology Of Hazardous Chemicalsmentioning

confidence: 99%

Current situation and development trend of traceability system of hazardous chemicals in China

Liu

Zhou

2021

E3S Web Conf.

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The traceability system of hazardous chemicals is a kind of information identification and tracking technology, which mainly involves the collection and management of the whole life cycle and whole chain information of hazardous chemicals. As an important means of safety supervision of hazardous chemicals, it is conducive to the long-term development of enterprises and the improvement of public safety. At present, the safety situation of China's chemical industry is grim. It is urgent to establish a practical and effective traceability system of hazardous chemicals to eliminate the obstacles of information acquisition of hazardous chemicals, strengthen safety supervision and enhance the ability of emergency response. This paper summarizes the development process, Traceability Technology and traceability development trend of China's hazardous chemicals traceability system, and puts forward some suggestions for improving and perfecting China's hazardous chemicals traceability system.

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“…Several analytical techniques have been used in the chemical characterization of petroleum and its derivatives. − Detailed determination of nonpolar composition in middle distillates has been achieved by comprehensive two-dimensional gas chromatography (GC × GC) . In this technique, the fuel could be separated into components employing two capillary columns with different stationary phases. , …”

Section: Introductionmentioning

confidence: 99%

Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

de Aguiar,

Roque,

de Lima

et al. 2024

ACS Omega

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Diesel has been the most employed fuel in highway and nonhighway transportation systems. Many studies over the past years have attempted to classify diesel as a stable or unstable composition since this fuel can still degrade during storage or thermal oxidative processes. Products generated because of such degradation are the reason for the formation of soluble gums and insoluble organic particulates, which in turn cause a negative influence on engine performance. This work reports a detailed composition of nonpolar and polar compounds in many ultralow-sulfur diesel (ULSD) samples by comprehensive two-dimensional gas chromatography with a flame ionization detector (GC × GC-FID) and electrospray ionization highresolution mass spectrometry (ESI HR-MS). In addition, chemometric approaches were applied for ULSD storage stability investigation. GC × GC-FID experiments achieved the nonpolar chemical characterization for the ULSD samples, including all main hydrocarbon classes: paraffins, mono-and dinaphthenics and olefins, and aromatics. The GC × GC-FID data combined with principal component analysis (PCA) described that the separation of the samples' concerning storage stability was mainly due to the contents of mono-and diaromatic compounds in the unstable ULSD samples. Moreover, PCA was also applied to the ESI (±) data set, and the results highlight the presence of compounds belonging to O class (natural antioxidants), which decrease the rate of oxygen consumption in the fuel, characterizing it as stable composition. The basic nitrogen compounds are mostly present in the stable ULSD samples indicating that they did not affect the stability of the fuel. On the other hand, the HC classes presented pronounced abundance among unstable ULSD samples suggesting that the fuel degradation may go through the oxidation of hydrocarbons and the formation of O x compounds as byproducts. Furthermore, MS/MS experiments point to the formation of C c H h N n O o -like precursor species, which can react with each other and lead to the formation of gums and insoluble sediments in the fuel. In summary, the results express the potential of using the GC × GC-FID and ESI (±) Orbitrap MS techniques as valuable tools for diesel stability evaluations.

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Combined cluster and discriminant analysis: An efficient chemometric approach in diesel fuel characterization

Cited by 27 publications

References 22 publications

The Application of Chemometrics in Metabolomic and Lipidomic Analysis Data Presentation for Halal Authentication of Meat Products

The Application of Chemometrics in Metabolomic and Lipidomic Analysis Data Presentation for Halal Authentication of Meat Products

Current situation and development trend of traceability system of hazardous chemicals in China

Chemometric Analysis Combined with GC × GC-FID and ESI HR-MS to Evaluate Ultralow-Sulfur Diesel Stability

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