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Multivariate strategy for identifying and quantifying jet fuel contaminants by MCR-ALS/PLS models coupled to combined MIR/NIR spectra
The investigation and control of jet fuel contamination for private aircrafts has gained attention due to the softer monitoring in comparison to...
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Evaluating optimized electroless plating of carbon nano-fibers by nickel nanoparticles utilizing UV–Vis spectrophotometry and MCR–ALS chemometrics method
The purpose of this study was to optimize the nickel (Ni) coating of carbon nano-fibers (CNF) utilizing electroless plating (EP) method. A total...
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Application of an Augmentation Method to MCR-ALS Analysis for XAFS and Raman Data Matrices in the Structural Change of Isopolymolybdates
We measured X-ray absorption fine structure (XAFS) and Raman spectra of isopolymolybdates(VI) in highly concentrated HNO3 solution (0.15–4.0 M),...
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MCR-ALS analysis of 1H NMR spectra by segments to study the zebrafish exposure to acrylamide
Metabolomics is currently an important field within bioanalytical science and NMR has become a key technique for drawing the full metabolic picture....
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Raman map** for determination of TiO2 in different solid food samples by multivariate curve resolution with alternating least squares
Titanium dioxide is a food additive commonly used as a white food coloring (E171). Its wide use by the food industry associated with the nanometric...
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Multivariate Curve Resolution Applied to Near Infrared Spectroscopic Data Acquired Throughout the Cooking Process to Monitor Evolving Béchamel Sauces
This study presents an exploratory analysis of the kinetics and mechanisms involved in the cooking process of 27 béchamel sauces. The evolving...
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Enhanced efficiency of MS/MS all-ion fragmentation for non-targeted analysis of trace contaminants in surface water using multivariate curve resolution and data fusion
Data-independent acquisition–all-ion fragmentation (DIA-AIF) mode of mass spectrometry can facilitate wide-scope non-target analysis of contaminants...
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Novel analytical method based on chemometric models applied to UV–Vis spectrophotometric data for simultaneous determination of Etoricoxib and Paracetamol in presence of Paracetamol impurities
The multivariate models that are used for spectral data analysis have many beneficial applications, and one of the important applications is the...
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Application of smart chemometric models for spectra resolution and determination of challenging multi-action quaternary mixture: statistical comparison with greenness assessment
A multivariate spectrophotometric method is a potential approach that enables discrimination of spectra of components in complex matrices (e.g.,...
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Square wave voltammetric pKa determination of aspirin using multi-way data analysis models
To understand the drug action mechanism, the acid–base dissociation constant (or pKa) of biologically active compounds is one of the most functional...
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Monitoring Chemical Changes of Coffee Beans During Roasting Using Real-time NIR Spectroscopy and Chemometrics
Variations occurring in coffee beans during roasting are ascribable to several chemical-physical phenomena: to quickly track the whole process and to...
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Chemometrics-assisted electrochemical determination of dextromethorphan hydrobromide and phenylephrine hydrochloride by carbon paste electrode
In this paper, multivariate curve resolution-alternating least squares (MCR-ALS) was applied for simultaneous determination of phenylephrine (PHE)...
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Chemometrics data analysis and controversial carcinogenic effect of Ocimum basilicum L. rich in methyl eugenol
Ocimum basilicum (Lamiaceae) commonly known as Sweet Basil is an aromatic plant having a controversial carcinogenic effect and is also used in the...
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Development of an HPLC-DAD Method Combined with Chemometrics for Differentiating Geographical Origins of Chinese Red Wines on the Basis of Phenolic Compounds
In this work, a high-performance liquid chromatography-diode array detection (HPLC-DAD) method combined with chemometrics was developed for...
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Chemometrics in Bioanalytical Chemistry
This chapter presents and discusses the main qualitative and quantitative chemometric approaches that have been applied in bioanalytical chemistry....
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A new strategy for the computer-assisted development of reversed-phase liquid chromatography separation methods of unknown sample mixtures
A new strategy for the computer-assisted methods development in the reversed-phase liquid chromatographic separations of unknown sample mixtures has...
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Application of chemometric methods to the analysis of multimodal chemical images of biological tissues
Current histology techniques, such as tissue staining or histochemistry protocols, provide very limited chemical information about the tissues....
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Development and validation of chemometric-assisted spectrophotometric models for efficient quantitation of a binary mixture of supportive treatments in COVID-19 in the presence of its toxic impurities: a comparative study for eco-friendly assessment
The use of sustainable solvents has increased significantly in recent years due to advancements in green analytical methods. The number of impurities...
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A simple approach to the determination of three curcuminoids with similar chemical structures in different substrates
The determination of curcuminoids in mixtures is more difficult due to their similar chemical structures as well as serious interferences, thus the...
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Machine Learning and Big Data Analysis in the Field of Catalysis (A Review)
AbstractRecently, the rapid development of experimental methods in the field of catalytic research allows for large amounts of data to be obtained....
