A new FT-IR method combined with multivariate analysis for the classification of vinegars from different raw materials and production processes

Based on the DEA method, an approach has been developed for the multivariate analysis of the road bitumen production processes, allowing obtaining integral comparative assessments that ensure the ranking of processes according to various heterogeneous criteria. The main quantitative characteristics, qualitative indicators, and technological parameters of the oxidation processes are selected to form target functions when solving mathematical programming problems. Based on the CCR and Super Efficiency models of the DEA method, the problems of multivariate analysis of the efficiency of road bitumen production processes for the actual values of the characteristics of raw materials and parameters of technological processes were formulated and solved, a comparative analysis of the estimates obtained for 64 bitumen samples was carried out. The results of the studies carried out make it possible to significantly expand the scope of the DEA method application and create on its basis a software package for multivariate analysis and optimization of bitumen production processes by improving the quality of the final product, reducing the resources for its production and reducing the negative impact on the environment.

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Study on the Characteristic Spectral Properties for Species Identification of Animal-Derived Feedstuff Using Fourier Transform Infrared Spectroscopy

Applied Spectroscopy ◽

10.1177/0003702817732323 ◽

2017 ◽

Vol 71 (11) ◽

pp. 2446-2456 ◽

Cited By ~ 6

Author(s):

Fei Gao ◽

Simiao Zhou ◽

Zengling Yang ◽

Lujia Han ◽

Xian Liu

Keyword(s):

Fourier Transform ◽

Animal Species ◽

Raw Materials ◽

Fourier Transform Infrared ◽

Species Discrimination ◽

Spectral Bands ◽

Terrestrial Animal ◽

Ft Ir ◽

Ft Ir Spectroscopy

The objective of the present study was to explore the effective spectral bands related to lipid characteristics in spectra of raw animal-derived feedstuff and figure out which marked spectral regions (single or combined) contributed more to species discrimination. A total of 82 meat and bone meals, including porcine, poultry, bovine, ovine, and fish, were studied. Raw materials, extracted lipid, and defatted samples were simultaneously analyzed and calculated using Fourier transform infrared (FT-IR) spectroscopy in combination with chemometric methods. Taking the spectra of lipid as references, five marked spectral regions considered the main lipid characteristic regions were found in the raw animal-derived feedstuff spectra. In the study, single and combined marked spectral bands were investigated and proved to have better performance than the whole spectra of raw terrestrial animal-derived feedstuff and fishmeal. For the discrimination of five animal species, the regions of 1800–1650 cm–1, 1500–1330 cm–1, 1260–1060 cm–1, and 790–640 cm–1 presented better results; for the classification of three categories, the regions of 3100–2800 cm–1, 1800–1650 cm–1, and 1500–1330 cm–1 showed the best results.

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GENERAL PROVISIONS OF CLASSIFICATION OF COAL MINING AND PROCESSING REFUSE AS AN ORIGIN OF ENVIRONMENTAL IMPACT WHEN STORED AND AS A SOURCE OF PROCESS RAW MATERIALS WHEN RECYCLED

MINING INFORMATIONAL AND ANALYTICAL BULLETIN ◽

10.25018/0236-1493-2018-1-0-5-11 ◽

2018 ◽

Vol 1 ◽

pp. 5-11

Author(s):

S.A. Silyutin ◽

Keyword(s):

Environmental Impact ◽

Coal Mining ◽

Raw Materials

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Sustainable regional development as a problem of managing the socio-economic system

Ergodesign ◽

10.30987/2658-4026-2020-2-58-62 ◽

2020 ◽

Vol 2020 (2) ◽

pp. 58-62

Author(s):

Alexander Anishenko ◽

Tatyana Krotenko ◽

Dmitriy Erokhin

Keyword(s):

Sustainable Development ◽

Regional Development ◽

Economic System ◽

Raw Materials ◽

Resource Model ◽

Systematic Analysis ◽

Development Control ◽

Sustainable Regional Development ◽

Three Factor

A systematic analysis of the concept of "sustainable development of the region" is carried out . The classification of factors that affect the process of sustainable development is given. A three -factor resource model for the formation of sustainable development of the region , including human, financial and raw materials, is described. The necessity of systematic monitoring as an element of regional development control is substantiated.

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Polyurethane Composite Foams Synthesized Using Bio-Polyols and Cellulose Filler

Materials ◽

10.3390/ma14133474 ◽

2021 ◽

Vol 14 (13) ◽

pp. 3474

Author(s):

Katarzyna Uram ◽

Milena Leszczyńska ◽

Aleksander Prociak ◽

Anna Czajka ◽

Michał Gloc ◽

...

Keyword(s):

Cross Sections ◽

Raw Materials ◽

Polyurethane Foams ◽

Degree Of Crystallinity ◽

X Ray Diffraction ◽

Polyurethane Composite ◽

Composite Foams ◽

Closed Cell ◽

Ft Ir ◽

The Fourier Transform

Rigid polyurethane foams were obtained using two types of renewable raw materials: bio-polyols and a cellulose filler (ARBOCEL® P 4000 X, JRS Rettenmaier, Rosenberg, Germany). A polyurethane system containing 40 wt.% of rapeseed oil-based polyols was modified with the cellulose filler in amounts of 1, 2, and 3 php (per hundred polyols). The cellulose was incorporated into the polyol premix as filler dispersion in a petrochemical polyol made using calenders. The cellulose filler was examined in terms of the degree of crystallinity using the powder X-ray diffraction PXRD -and the presence of bonds by means of the fourier transform infrared spectroscopy FT-IR. It was found that the addition of the cellulose filler increased the number of cells in the foams in both cross-sections—parallel and perpendicular to the direction of the foam growth—while reducing the sizes of those cells. Additionally, the foams had closed cell contents of more than 90% and initial thermal conductivity coefficients of 24.8 mW/m∙K. The insulation materials were dimensionally stable, especially at temperatures close to 0 °C, which qualifies them for use as insulation at low temperatures.

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Quantification and Classification of Diclofenac Sodium Content in Dispersed Commercially Available Tablets by Attenuated Total Reflection Infrared Spectroscopy and Multivariate Data Analysis

Pharmaceuticals ◽

10.3390/ph14050440 ◽

2021 ◽

Vol 14 (5) ◽

pp. 440

Author(s):

Eirini Siozou ◽

Vasilios Sakkas ◽

Nikolaos Kourkoumelis

Keyword(s):

Infrared Spectroscopy ◽

Low Cost ◽

Diclofenac Sodium ◽

Reference Method ◽

Sodium Content ◽

Attenuated Total Reflection ◽

Accuracy And Precision ◽

Significant Difference ◽

Ft Ir

A new methodology, based on Fourier transform infrared spectroscopy equipped with an attenuated total reflectance accessory (ATR FT-IR), was developed for the determination of diclofenac sodium (DS) in dispersed commercially available tablets using chemometric tools such as partial least squares (PLS) coupled with discriminant analysis (PLS-DA). The results of PLS-DA depicted a perfect classification of the tablets into three different groups based on their DS concentrations, while the developed model with PLS had a sufficiently low root mean square error (RMSE) for the prediction of the samples’ concentration (~5%) and therefore can be practically used for any tablet with an unknown concentration of DS. Comparison with ultraviolet/visible (UV/Vis) spectrophotometry as the reference method revealed no significant difference between the two methods. The proposed methodology exhibited satisfactory results in terms of both accuracy and precision while being rapid, simple and of low cost.

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A Methodology Based on FT-IR Data Combined with Random Forest Model to Generate Spectralprints for the Characterization of High-Quality Vinegars

Foods ◽

10.3390/foods10061411 ◽

2021 ◽

Vol 10 (6) ◽

pp. 1411

Author(s):

José Luis P. Calle ◽

Marta Ferreiro-González ◽

Ana Ruiz-Rodríguez ◽

Gerardo F. Barbero ◽

José Á. Álvarez ◽

...

Keyword(s):

Random Forest ◽

Raw Materials ◽

Principal Component ◽

Hierarchical Cluster ◽

Raw Material ◽

Support Vector ◽

Protected Designation Of Origin ◽

Ft Ir

Sherry wine vinegar is a Spanish gourmet product under Protected Designation of Origin (PDO). Before a vinegar can be labeled as Sherry vinegar, the product must meet certain requirements as established by its PDO, which, in this case, means that it has been produced following the traditional solera and criadera ageing system. The quality of the vinegar is determined by many factors such as the raw material, the acetification process or the aging system. For this reason, mainly producers, but also consumers, would benefit from the employment of effective analytical tools that allow precisely determining the origin and quality of vinegar. In the present study, a total of 48 Sherry vinegar samples manufactured from three different starting wines (Palomino Fino, Moscatel, and Pedro Ximénez wine) were analyzed by Fourier-transform infrared (FT-IR) spectroscopy. The spectroscopic data were combined with unsupervised exploratory techniques such as hierarchical cluster analysis (HCA) and principal component analysis (PCA), as well as other nonparametric supervised techniques, namely, support vector machine (SVM) and random forest (RF), for the characterization of the samples. The HCA and PCA results present a clear grouping trend of the vinegar samples according to their raw materials. SVM in combination with leave-one-out cross-validation (LOOCV) successfully classified 100% of the samples, according to the type of wine used for their production. The RF method allowed selecting the most important variables to develop the characteristic fingerprint (“spectralprint”) of the vinegar samples according to their starting wine. Furthermore, the RF model reached 100% accuracy for both LOOCV and out-of-bag (OOB) sets.

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