A rapid and non-destructive methodology is proposed for the screening of edible vegetable oils according to conservation state expiration date employing near infrared (NIR) spectroscopy and chemometric tools. A total of fifty samples of soybean vegetable oil, of different brands andlots, were used in this study; these included thirty expired and twenty non-expired samples. The oil oxidation was...

In this paper, high-throughput RNA-sequencing (RNA-seq) was used to search for transcriptional biomarkers for β2-agonists. In combination with drug mechanisms, a smaller group of genes with higher detection accuracy was screened out. Unknown samples were first predicted by this group of genes, and liquid chromatograph tandem mass spectrometer (LC-MS/MS) was applied to positive samples to valida...

Anewmethod for the studyofmolecule chemical informationorganized into three-waydata structures (MOLMAP) was recently proposed in literature. Basically, MOLMAPmolecular fingerprints are calculated by projecting bond properties of molecules into Kohonen networks and used to generate molecular descriptors for QSAR modeling. Since this technique has never been applied to other kinds of chemical mul...

In chemical industries, process operations are usually comprised of several discrete operating regions with distributions that drift over time. These complexities complicate outlier detection in the presence of intrinsic process dynamics. In this article, we consider the problem of detecting univariate outliers in dynamic systems with multiple operating points. A novel method combining the time...

This paper proposes a novel flow-batch analyzer (FBA), which employs a compact, low-cost aquarium air pump as an alternative to a peristaltic pump. The feasibility of using this simple propulsion device is demonstrated in a case study involving the classification of citrus juice samples with respect to brand. For this purpose, UV-vis spectra and SIMCA (soft independent modelling of class analog...

To compare the chemical differences between the medicinal and cultured oyster shells, their chemical profiles were investigated. Using the ultra performance liquid chromatography-electron spraying ionization-mass spectrometry (UPLC-ESI-MS), combined with principal component analysis (PCA) and orthogonal projection to latent structures discriminant analysis (OPLS-DA), the discrimination of the c...

BACKGROUND Principal Component Analysis (PCA) and Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) are powerful statistical modeling tools that provide insights into separations between experimental groups based on high-dimensional spectral measurements from NMR, MS or other analytical instrumentation. However, when used without validation, these tools may lead invest...