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Application of Spectroscopy and Chemometrics for Authentication of Foods and Drugs (Volume II)

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Analytical Chemistry".

Deadline for manuscript submissions: closed (29 February 2024) | Viewed by 21665

Special Issue Editors


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Guest Editor
Department of Pharmaceutical Chemistry, Universitas Gadjah Mada, Yogyakarta, Indonesia
Interests: analysis of halal products authentication; analytical chemistry; chemometrics; molecular spectroscopy
Special Issues, Collections and Topics in MDPI journals

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Guest Editor
Faculty of Pharmacy, Universitas Sanata Dharma, Yogyakarta, Indonesia
Interests: chemometrics; pharmaceutical chemistry; spectroscopy; food analysis; machine learning
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Research on food and drug analysis has become increasingly popular in the last decade. The discovery and development of natural food and drug products increases the existence of scientific challenges in the field of analytical chemistry due the complexity of the matrices, as well as other ingredients or excipients of the products. Hence, authentication studies are commonly applied as a quality control aspect for dietary and pharmaceutical products. Authentication analysis can be applied at several stages of a product‘s evaluation, including material preparation, manufacturing or formulation processes, as well as finished and marketed products. Spectroscopy, an analytical technique, is commonly applied for the qualitative and quantitative analysis of foods and drugs. The combination of spectroscopy and chemometrics techniques enables the generation of a predictive model for an authentication study. With the help of an appropriate machine learning algorithm, experimental data resulting from the spectroscopic analysis can be exploited for further authentication purposes.

The present Special Issue aims to provide a comprehensive overview of the field of food and drug authentication with the employment of spectroscopy and chemometrics techniques. This Special Issue welcomes original studies and review articles on the authentication, pattern recognition modelling, and other applications of spectroscopic and chemometrics in the analysis of dietary and pharmaceutical products.

Prof. Dr. Abdul Rohman
Dr. Florentinus Dika Octa Riswanto
Guest Editors

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Keywords

  • authentication
  • chemometrics
  • spectroscopy
  • foods
  • drugs
  • pharmaceutical chemistry
  • food analysis

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Published Papers (13 papers)

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Research

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12 pages, 1611 KiB  
Article
Application of High-Resolution Infrared Thermography to Study the Effects of Technologically Processed Antibodies on the Near-Surface Layer of Aqueous Solutions
by Elena Don, Evgenii Zubkov, Ekaterina Moroshkina, Irina Molodtsova, Anastasia Petrova and Sergey Tarasov
Molecules 2024, 29(18), 4309; https://doi.org/10.3390/molecules29184309 - 11 Sep 2024
Viewed by 518
Abstract
A new class of biologics is obtained using the technologically processed of antibodies (TPA), which are used as the initial substance, and their dilution at each stage is accompanied by a controlled external vibrational (mechanical) treatment. This article focuses on the development and [...] Read more.
A new class of biologics is obtained using the technologically processed of antibodies (TPA), which are used as the initial substance, and their dilution at each stage is accompanied by a controlled external vibrational (mechanical) treatment. This article focuses on the development and validation of a novel technique that can be applied for assessing the identity of TPA-based drugs. It has previously been found that after such treatment, the resulting solution either acquired new properties that were not present in the initial substance or a quantitative change in properties compared to the initial substance was observed. The use of mechanical treatment during the manufacture of the TPA-based drugs can cause the formation of new bonds between the solvent and antibody molecules. These changes manifest themselves in altered adsorption at the surface of the test solutions, which results in the formation of a near-surface film. One of the indicators of such events is the change in the surface temperature of the solution, which can be analyzed using high-resolution thermography. Unlike other methods, the high-resolution thermography allows the near-surface layer of a heterogeneous aqueous solution to be clearly visualized and quantified. A number of experiments were performed: seven replicates of sample preparations were tested; the influence of factors “day” or “operator” was investigated during 12 days of testing by two operators. The method also allowed us to distinguish between technologically processed antibodies and samples containing technologically processed buffer. The thermographic analysis has proven to be a simple, specific, and reproducible technique that can be used to analyze the identity of TPA-based drugs, regardless of the dosage form tested. Full article
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12 pages, 10673 KiB  
Article
Sensitive Detection of Genotoxic Substances in Complex Food Matrices by Multiparametric High-Content Analysis
by Pengxia Gao, Zhi Li, Mengqiang Gong, Bo Ma, Hua Xu, Lili Wang and Jianwei Xie
Molecules 2024, 29(14), 3257; https://doi.org/10.3390/molecules29143257 - 10 Jul 2024
Viewed by 931
Abstract
Genotoxic substances widely exist in the environment and the food supply, posing serious health risks due to their potential to induce DNA damage and cancer. Traditional genotoxicity assays, while valuable, are limited by insufficient sensitivity, specificity, and efficiency, particularly when applied to complex [...] Read more.
Genotoxic substances widely exist in the environment and the food supply, posing serious health risks due to their potential to induce DNA damage and cancer. Traditional genotoxicity assays, while valuable, are limited by insufficient sensitivity, specificity, and efficiency, particularly when applied to complex food matrices. This study introduces a multiparametric high-content analysis (HCA) for the detection of genotoxic substances in complex food matrices. The developed assay measures three genotoxic biomarkers, including γ-H2AX, p-H3, and RAD51, which enhances the sensitivity and accuracy of genotoxicity screening. Moreover, the assay effectively distinguishes genotoxic compounds with different modes of action, which not only offers a more comprehensive assessment of DNA damage and the cellular response to genotoxic stress but also provides new insights into the exploration of genotoxicity mechanisms. Notably, the five tested food matrices, including coffee, tea, pak choi, spinach, and tomato, were found not to interfere with the detection of these biomarkers under proper dilution ratios, validating the robustness and reliability of the assay for the screening of genotoxic compounds in the food industry. The integration of multiple biomarkers with HCA provides an efficient method for detecting and assessing genotoxic substances in the food supply, with potential applications in toxicology research and food safety. Full article
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22 pages, 3438 KiB  
Article
Full Characterisation of Heroin Samples Using Infrared Spectroscopy and Multivariate Calibration
by Eric Deconinck, Sybrien Lievens, Michael Canfyn, Peter Van Campenhout, Loic Debehault, Lies Gremaux and Margot Balcaen
Molecules 2024, 29(5), 1116; https://doi.org/10.3390/molecules29051116 - 1 Mar 2024
Viewed by 1604
Abstract
The analysis of heroin samples, before use in the protected environment of user centra, could be a supplementary service in the context of harm reduction. Infrared spectroscopy hyphenated with multivariate calibration could be a valuable asset in this context, and therefore 125 heroin [...] Read more.
The analysis of heroin samples, before use in the protected environment of user centra, could be a supplementary service in the context of harm reduction. Infrared spectroscopy hyphenated with multivariate calibration could be a valuable asset in this context, and therefore 125 heroin samples were collected directly from users and analysed with classical chromatographic techniques. Further, Mid-Infrared spectra were collected for all samples, to be used in Partial Least Squares (PLS) modelling, in order to obtain qualitative and quantitative models based on real live samples. The approach showed that it was possible to identify and quantify heroin in the samples based on the collected spectral data and PLS modelling. These models were able to identify heroin correctly for 96% of the samples of the external test set with precision, specificity and sensitivity values of 100.0, 75.0 and 95.5%, respectively. For regression, a root mean squared error of prediction (RMSEP) of 0.04 was obtained, pointing at good predictive properties. Furthermore, during mass spectrometric screening, 10 different adulterants and impurities were encountered. Using the spectral data to model the presence of each of these resulted in performant models for seven of them. All models showed promising correct-classification rates (between 92 and 96%) and good values for sensitivity, specificity and precision. For codeine and morphine, the models were not satisfactory, probably due to the low concentration of these impurities as a consequence of acetylation. For methacetin, the approach failed. Full article
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23 pages, 4184 KiB  
Article
The Rapid Non-Destructive Differentiation of Different Varieties of Rice by Fluorescence Hyperspectral Technology Combined with Machine Learning
by Zhiliang Kang, Rongsheng Fan, Chunyi Zhan, Youli Wu, Yi Lin, Kunyu Li, Rui Qing and Lijia Xu
Molecules 2024, 29(3), 682; https://doi.org/10.3390/molecules29030682 - 1 Feb 2024
Cited by 5 | Viewed by 1365
Abstract
A rice classification method for the fast and non-destructive differentiation of different varieties is significant in research at present. In this study, fluorescence hyperspectral technology combined with machine learning techniques was used to distinguish five rice varieties by analyzing the fluorescence hyperspectral features [...] Read more.
A rice classification method for the fast and non-destructive differentiation of different varieties is significant in research at present. In this study, fluorescence hyperspectral technology combined with machine learning techniques was used to distinguish five rice varieties by analyzing the fluorescence hyperspectral features of Thai jasmine rice and four rice varieties with a similar appearance to Thai jasmine rice in the wavelength range of 475–1000 nm. The fluorescence hyperspectral data were preprocessed by a first-order derivative (FD) to reduce the background and baseline drift effects of the rice samples. Then, a principal component analysis (PCA) and t-distributed stochastic neighborhood embedding (t-SNE) were used for feature reduction and 3D visualization display. A partial least squares discriminant analysis (PLS-DA), BP neural network (BP), and random forest (RF) were used to build the rice classification models. The RF classification model parameters were optimized using the gray wolf algorithm (GWO). The results show that FD-t-SNE-GWO-RF is the best model for rice classification, with accuracy values of 99.8% and 95.3% for the training and test sets, respectively. The fluorescence hyperspectral technique combined with machine learning is feasible for classifying rice varieties. Full article
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14 pages, 1742 KiB  
Article
Comparative Study of Augmented Classical Least Squares Models for UV Assay of Co-Formulated Antiemetics Together with Related Impurities
by Muneera S. M. Al-Saleem, Hany W. Darwish, Ibrahim A. Naguib and Mohammed E. Draz
Molecules 2023, 28(20), 7044; https://doi.org/10.3390/molecules28207044 - 12 Oct 2023
Viewed by 972
Abstract
The classical least squares (CLS) model and three augmented CLS models are adopted and validated for the analysis of pyridoxine HCl (PYR), cyclizine HCl (CYC), and meclizine HCl (MEC) in a quinary mixture with two related impurities: the CYC main impurity, Benzhydrol (BEH), [...] Read more.
The classical least squares (CLS) model and three augmented CLS models are adopted and validated for the analysis of pyridoxine HCl (PYR), cyclizine HCl (CYC), and meclizine HCl (MEC) in a quinary mixture with two related impurities: the CYC main impurity, Benzhydrol (BEH), which has carcinogenic and hepatotoxic effects, and the MEC official impurity, 4-Chlorobenzophenone (BEP). The proposed augmented CLS models are orthogonal signal correction CLS (OSC-CLS), direct orthogonal signal correction CLS (DOSC-CLS), and net analyte processing CLS (NAP-CLS). These models were applied to quantify the three active constituents in their raw materials and their corresponding dosage forms using their UV spectra. To evaluate the CLS-based models sensibly, we design a comparative study involving two sets: the training set to construct models and the validation set to assess the prediction abilities of these models. A five-level, five-factor calibration design was established to produce 25 mixtures for the calibration set. In addition, 16 experiments were performed for a test set distributed equally between the in-space and out-space samples. The primary criterion for comparing the models’ performance was the validation set’s root mean square error of prediction (RMSEP) value. Finally, augmented CLS models showed acceptable results for assaying the three analytes. The results were compared statistically with the reported HPLC methods; however, the DOSC-CLS model proved the best for assaying the dosage forms. Full article
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19 pages, 6429 KiB  
Article
Identification of Turtle-Shell Growth Year Using Hyperspectral Imaging Combined with an Enhanced Spatial–Spectral Attention 3DCNN and a Transformer
by Tingting Wang, Zhenyu Xu, Huiqiang Hu, Huaxing Xu, Yuping Zhao and Xiaobo Mao
Molecules 2023, 28(17), 6427; https://doi.org/10.3390/molecules28176427 - 4 Sep 2023
Viewed by 1407
Abstract
Turtle shell (Chinemys reecesii) is a prized traditional Chinese dietary therapy, and the growth year of turtle shell has a significant impact on its quality attributes. In this study, a hyperspectral imaging (HSI) technique combined with a proposed deep learning (DL) [...] Read more.
Turtle shell (Chinemys reecesii) is a prized traditional Chinese dietary therapy, and the growth year of turtle shell has a significant impact on its quality attributes. In this study, a hyperspectral imaging (HSI) technique combined with a proposed deep learning (DL) network algorithm was investigated for the objective determination of the growth year of turtle shells. The acquisition of hyperspectral images was carried out in the near-infrared range (948.72–2512.97 nm) from samples spanning five different growth years. To fully exploit the spatial and spectral information while reducing redundancy in hyperspectral data simultaneously, three modules were developed. First, the spectral–spatial attention (SSA) module was developed to better protect the spectral correlation among spectral bands and capture fine-grained spatial information of hyperspectral images. Second, the 3D convolutional neural network (CNN), more suitable for the extracted 3D feature map, was employed to facilitate the joint spatial–spectral feature representation. Thirdly, to overcome the constraints of convolution kernels as well as better capture long-range correlation between spectral bands, the transformer encoder (TE) module was further designed. These modules were harmoniously orchestrated, driven by the need to effectively leverage both spatial and spectral information within hyperspectral data. They collectively enhance the model’s capacity to extract joint spatial and spectral features to discern growth years accurately. Experimental studies demonstrated that the proposed model (named SSA–3DTE) achieved superior classification accuracy, with 98.94% on average for five-category classification, outperforming traditional machine learning methods using only spectral information and representative deep learning methods. Also, ablation experiments confirmed the effectiveness of each module to improve performance. The encouraging results of this study revealed the potentiality of HSI combined with the DL algorithm as an efficient and non-destructive method for the quality control of turtle shells. Full article
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21 pages, 1603 KiB  
Article
Assessing Fermentation Broth Quality of Pineapple Vinegar Production with a Near-Infrared Fiber-Optic Probe Coupled with Stability Competitive Adaptive Reweighted Sampling
by Sumaporn Kasemsumran, Antika Boondaeng, Sunee Jungtheerapanich, Kraireuk Ngowsuwan, Waraporn Apiwatanapiwat, Phornphimon Janchai and Pilanee Vaithanomsat
Molecules 2023, 28(17), 6239; https://doi.org/10.3390/molecules28176239 - 25 Aug 2023
Cited by 3 | Viewed by 1834
Abstract
In this study, the performance of a near-infrared (NIR) fiber-optic probe coupled with stability competitive adaptive reweighted sampling (SCARS) was investigated for the analysis of acetic acid, ethanol, total soluble solids, caffeic acid, gallic acid, and tannic acid in the broth of pineapple [...] Read more.
In this study, the performance of a near-infrared (NIR) fiber-optic probe coupled with stability competitive adaptive reweighted sampling (SCARS) was investigated for the analysis of acetic acid, ethanol, total soluble solids, caffeic acid, gallic acid, and tannic acid in the broth of pineapple vinegar during fermentation. The NIR spectra of the broth samples in the region of 11,536–3956 cm−1 were collected during vinegar fermentation promoted by Acetobacter aceti. This continuous biological process led to changes in the concentrations of all analytes studied. SCARS provided optimized and stabilized NIR spectral variables for the construction of a partial least squares (PLS) model for each analyte using a small number of optimal variables (under 88 variables). The SCARS-PLS model outperformed the conventional PLS model, and achieved excellent accuracy in accordance with ISO 12099:2017 for the four prediction models of acetic acid, ethanol, caffeic acid, and gallic acid, with root-mean-square error of prediction values of 0.137%, 0.178%, 0.637 μg/mL and 0.640 μg/mL, respectively. In contrast, only an acetic acid content prediction model constructed via the conventional PLS method and using the whole spectral region (949 variables) could pass with acceptable accuracy. These results indicate that the NIR optical probe coupled with SCARS is an appropriate method for the continuous monitoring of multianalytes during vinegar fermentation, particularly acetic acid and ethanol contents, which are indicators of the finished fermentation of pineapple vinegar. Full article
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13 pages, 1781 KiB  
Article
Hybrid Raman and Laser-Induced Breakdown Spectroscopy for Food Authentication Applications
by Sungho Shin, Iyll-Joon Doh, Kennedy Okeyo, Euiwon Bae, J. Paul Robinson and Bartek Rajwa
Molecules 2023, 28(16), 6087; https://doi.org/10.3390/molecules28166087 - 16 Aug 2023
Cited by 1 | Viewed by 1812
Abstract
The issue of food fraud has become a significant global concern as it affects both the quality and safety of food products, ultimately resulting in the loss of customer trust and brand loyalty. To address this problem, we have developed an innovative approach [...] Read more.
The issue of food fraud has become a significant global concern as it affects both the quality and safety of food products, ultimately resulting in the loss of customer trust and brand loyalty. To address this problem, we have developed an innovative approach that can tackle various types of food fraud, including adulteration, substitution, and dilution. Our methodology utilizes an integrated system that combines laser-induced breakdown spectroscopy (LIBS) and Raman spectroscopy. Although both techniques emerged as valuable tools for food analysis, they have until now been used separately, and their combined potential in food fraud has not been thoroughly tested. The aim of our study was to demonstrate the potential benefits of integrating Raman and LIBS modalities in a portable system for improved product classification and subsequent authentication. In pursuit of this objective, we designed and tested a compact, hybrid Raman/LIBS system, which exhibited distinct advantages over the individual modalities. Our findings illustrate that the combination of these two modalities can achieve higher accuracy in product classification, leading to more effective and reliable product authentication. Overall, our research highlights the potential of hybrid systems for practical applications in a variety of industries. The integration and design were mainly focused on the detection and characterization of both elemental and molecular elements in various food products. Two different sets of solid food samples (sixteen Alpine-style cheeses and seven brands of Arabica coffee beans) were chosen for the authentication analysis. Class detection and classification were accomplished through the use of multivariate feature selection and machine-learning procedures. The accuracy of classification was observed to improve by approximately 10% when utilizing the hybrid Raman/LIBS spectra, as opposed to the analysis of spectra from the individual methods. This clearly demonstrates that the hybrid system can significantly improve food authentication accuracy while maintaining the portability of the combined system. Thus, the successful implementation of a hybrid Raman-LIBS technique is expected to contribute to the development of novel portable devices for food authentication in food as well as other various industries. Full article
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15 pages, 3540 KiB  
Article
Analysis of Pork in Beef Sausages Using LC-Orbitrap HRMS Untargeted Metabolomics Combined with Chemometrics for Halal Authentication Study
by Anjar Windarsih, Nor Kartini Abu Bakar, Dachriyanus, Nancy Dewi Yuliana, Florentinus Dika Octa Riswanto and Abdul Rohman
Molecules 2023, 28(16), 5964; https://doi.org/10.3390/molecules28165964 - 9 Aug 2023
Cited by 6 | Viewed by 2029
Abstract
Beef sausage (BS) is one of the most favored meat products due to its nutrition and good taste. However, for economic purposes, BS is often adulterated with pork by unethical players. Pork consumption is strictly prohibited for religions including Islam and Judaism. Therefore, [...] Read more.
Beef sausage (BS) is one of the most favored meat products due to its nutrition and good taste. However, for economic purposes, BS is often adulterated with pork by unethical players. Pork consumption is strictly prohibited for religions including Islam and Judaism. Therefore, advanced detection methods are highly required to warrant the halal authenticity of BS. This research aimed to develop a liquid chromatography–high-resolution mass spectrometry (LC–HRMS) method to determine the halal authenticity of BS using an untargeted metabolomics approach. LC–HRMS was capable of detecting various metabolites in BS and BS containing pork. The presence of pork in BS could be differentiated using principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA) with high accuracy. PLS-DA perfectly classified authentic BS and BS containing pork in all concentration levels of pork with R2X = (0.821), R2Y(= 0.984), and Q2 = (0.795). The level of pork in BS was successfully predicted through partial least squares (PLS) and orthogonal PLS (OPLS) chemometrics. Both models gave high R2 (>0.99) actual and predicted values as well as few errors, indicating good accuracy and precision. Identification of discriminating metabolites’ potential as biomarker candidates through variable importance for projections (VIP) value revealed metabolites of 2-arachidonyl-sn-glycero-3-phosphoethanolamine, 3-hydroxyoctanoylcarnitine, 8Z,11Z,14Z-eicosatrienoic acid, D-(+)-galactose, oleamide, 3-hydroxyhexadecanoylcarnitine, arachidonic acid, and α-eleostearic acid as good indicators to detect pork. It can be concluded that LC–HRMS metabolomics combined with PCA, PLS-DA, PLS, and OPLS was successfully used to detect pork adulteration in beef sausages. The results imply that LC–HRMS untargeted metabolomics in combination with chemometrics is a promising alternative as an analytical technique to detect pork in sausage products. Further analysis of larger samples is required to warrant the reproducibility. Full article
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14 pages, 2837 KiB  
Article
Discrimination of Milk Freshness Based on Synchronous Two-Dimensional Visible/Near-Infrared Correlation Spectroscopy Coupled with Chemometrics
by Dan Peng, Rui Xu, Qi Zhou, Jinxia Yue, Min Su, Shaoshuai Zheng and Jun Li
Molecules 2023, 28(15), 5728; https://doi.org/10.3390/molecules28155728 - 28 Jul 2023
Cited by 3 | Viewed by 1259
Abstract
Milk is one of the preferred beverages in modern healthy diets, and its freshness is of great significance for product sales and applications. By combining the two-dimensional (2D) correlation spectroscopy technique and chemometrics, a new method based on visible/near-infrared (Vis/NIR) spectroscopy was proposed [...] Read more.
Milk is one of the preferred beverages in modern healthy diets, and its freshness is of great significance for product sales and applications. By combining the two-dimensional (2D) correlation spectroscopy technique and chemometrics, a new method based on visible/near-infrared (Vis/NIR) spectroscopy was proposed to discriminate the freshness of milk. To clarify the relationship be-tween the freshness of milk and the spectra, the changes in the physicochemical indicators of milk during storage were analyzed as well as the Vis/NIR spectra and the 2D-Vis/NIR correlation spectra. The threshold-value method, linear discriminant analysis (LDA) method, and support vector machine (SVM) method were used to construct the discriminant models of milk freshness, and the parameters of the SVM-based models were optimized by the grid search method and particle swarm optimization algorithm. The results showed that with the prolongation of storage time, the absorbance of the Vis/NIR spectra of milk gradually increased, and the intensity of autocorrelation peaks and cross peaks in synchronous 2D-Vis/NIR spectra also increased significantly. Compared with the SVM-based models using Vis/NIR spectra, the SVM-based model using 2D-Vis/NIR spectra had a >15% higher prediction accuracy. Under the same conditions, the prediction performances of the SVM-based models were better than those of the threshold-value-based or LDA-based models. In addition, the accuracy rate of the SVM-based model using the synchronous 2D-Vis/NIR autocorrelation spectra was >97%. This work indicates that the 2D-Vis/NIR correlation spectra coupled with chemometrics is a great pattern to rapidly discriminate the freshness of milk, which provides technical support for improving the evaluation system of milk quality and maintaining the safety of milk product quality. Full article
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8 pages, 2149 KiB  
Communication
Rapid Detection of Benzo[a]pyrene in Extra Virgin Olive Oil Using Fluorescence Spectroscopy
by Emmanouil Orfanakis, Aggeliki Koumentaki, Aikaterini Zoumi, Aggelos Philippidis, Peter C. Samartzis and Michalis Velegrakis
Molecules 2023, 28(11), 4386; https://doi.org/10.3390/molecules28114386 - 27 May 2023
Cited by 4 | Viewed by 2758
Abstract
Extra virgin olive oil (EVOO) should be naturally free of polycyclic aromatic hydrocarbon (PAH) contamination. PAHs are carcinogenic and toxic, and may cause human health and safety problems. This work aims to detect benzo[a]pyrene residues in EVOO using an easily adaptive optical methodology. [...] Read more.
Extra virgin olive oil (EVOO) should be naturally free of polycyclic aromatic hydrocarbon (PAH) contamination. PAHs are carcinogenic and toxic, and may cause human health and safety problems. This work aims to detect benzo[a]pyrene residues in EVOO using an easily adaptive optical methodology. This approach, which is based on fluorescence spectroscopy, does not require any sample pretreatment or prior extraction of PAH content from the sample, and is reported for the first time herein. The detection of benzo[a]pyrene even at low concentrations in extra virgin olive oil samples demonstrates fluorescence spectroscopy’s capability to ensure food safety. Full article
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14 pages, 1818 KiB  
Article
Differentiation of Medicinal Plants According to Solvents, Processing, Origin, and Season by Means of Multivariate Analysis of Spectroscopic and Liquid Chromatography Data
by Lenka Burdejova, Blanka Tobolkova, Martin Polovka and Jarmila Neugebauerova
Molecules 2023, 28(10), 4075; https://doi.org/10.3390/molecules28104075 - 13 May 2023
Cited by 3 | Viewed by 2459
Abstract
Effects of processing and extraction solvents on antioxidant properties and other characteristics were evaluated for ten medicinal plant species originating from two different localities and two production years. A combination of spectroscopic and liquid chromatography techniques possessed data for multivariate statistics. Water, 50% [...] Read more.
Effects of processing and extraction solvents on antioxidant properties and other characteristics were evaluated for ten medicinal plant species originating from two different localities and two production years. A combination of spectroscopic and liquid chromatography techniques possessed data for multivariate statistics. Water, 50% (v/v) ethanol, and dimethyl sulfoxide (DMSO) were compared to select the most suitable solvent for the isolation of functional components from the frozen/dried medicinal plants. DMSO and 50% (v/v) ethanol were evaluated as more efficient for phenolic compounds and colorants extraction, while water was more useful for element extraction. Drying and extraction of herbs with 50% (v/v) ethanol was the most appropriate treatment to ensure a high yield of most compounds. The satisfactory differentiation of herbs (61.8–100%) confirmed the significant effect of the processing, geographical, and seasonal factors on target functional component concentrations. Total phenolic and total flavonoid compounds content, total antioxidant activity expressed as TAA, yellowness, chroma, and browning index were identified as the most important markers for medicinal plant differentiation. Full article
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Review

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17 pages, 2465 KiB  
Review
Research Progress of Rapid Non-Destructive Detection Technology in the Field of Apple Mold Heart Disease
by Yanlei Li, Zihao Yang, Wenxiu Wang, Xiangwu Wang, Chunzhi Zhang, Jun Dong, Mengyu Bai and Teng Hui
Molecules 2023, 28(24), 7966; https://doi.org/10.3390/molecules28247966 - 6 Dec 2023
Cited by 1 | Viewed by 1427
Abstract
Apples are rich in vitamins and dietary fiber and are one of the essential fruits in people’s daily diet. China has always been a big apple consumer, and with the improvement of people’s life quality, nutrition, and health requirements, the demand for high-quality [...] Read more.
Apples are rich in vitamins and dietary fiber and are one of the essential fruits in people’s daily diet. China has always been a big apple consumer, and with the improvement of people’s life quality, nutrition, and health requirements, the demand for high-quality apples has increased year by year. Apple mold heart disease is one of the main diseases affecting apple quality. However, this disease cannot be easily detected from the surface, so it is difficult to detect mold heart disease. Therefore, this paper focuses on the analysis of seven non-destructive detection technologies, including near infrared spectroscopy technology, hyperspectral technology, Raman spectroscopy technology, electronic nose technology, acoustic technology, electrical technology, and magnetic technology, summarizes their application status in the detection of apple mold heart disease, and then analyzes their advantages and disadvantages. Combined with the current rapid development of artificial intelligence (AI) technology, this paper proposes the future development trends of using non-destructive technologies to detect apple mold heart disease. It is expected to provide basic theory and application references for the intelligent detection of apple mold heart disease. Full article
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