Development of machine learning models using multi-source data for geographical traceability and content prediction of Eucommia ulmoides leaves.

Rapid and scientific quality evaluation is a hot topic in the research of food and medicinal plants. With the increasing popularity of derivative products from Eucommia ulmoides leaves, quality and safety have attracted public attention. The present study utilized multi-source data and traditional machine learning to conduct geographical traceability and content prediction research on Eucommia ulmoides leaves. Explored the impact of different preprocessing methods and low-level data fusion strategy on the performance of classification and regression models. The classification analysis results indicated that the partial least squares discriminant analysis (PLS-DA) established by low-level fusion of two infrared spectroscopy techniques based on first derivative (FD) preprocessing was most suitable for geographical traceability of Eucommia ulmoides leaves, with an accuracy rate of up to 100 %. Through regression analysis, it was found that the preprocessing methods and data blocks applicable to the four chemical components were inconsistent. The optimal partial least squares regression (PLSR) model based on aucubin (AU), geniposidic acid (GPA), and chlorogenic acid (CA) had a residual predictive deviation (RPD) value higher than 2.0, achieving satisfactory predictive performance. However, the PLSR model based on quercetin (QU) had poor performance (RPD = 1.541) and needed further improvement. Overall, the present study proposed a strategy that can effectively evaluate the quality of Eucommia ulmoides leaves, while also providing new ideas for the quality evaluation of food and medicinal plants.

Optimization of the selection of suitable harvesting periods for medicinal plants: taking Dendrobium officinale as an example.

BACKGROUND: Dendrobium officinale is a medicinal plant with high commercial value. The Dendrobium officinale market in Yunnan is affected by the standardization of medicinal material quality control and the increase in market demand, mainly due to the inappropriate harvest time, which puts it under increasing resource pressure. In this study, considering the high polysaccharide content of Dendrobium leaves and its contribution to today's medical industry, (Fourier Transform Infrared Spectrometer) FTIR combined with chemometrics was used to combine the yields of both stem and leaf parts of Dendrobium officinale to identify the different harvesting periods and to predict the dry matter content for the selection of the optimal harvesting period. RESULTS: The Three-dimensional correlation spectroscopy (3DCOS) images of Dendrobium stems to build a (Split-Attention Networks) ResNet model can identify different harvesting periods 100%, which is 90% faster than (Support Vector Machine) SVM, and provides a scientific basis for modeling a large number of samples. The (Partial Least Squares Regression) PLSR model based on MSC preprocessing can predict the dry matter content of Dendrobium stems with Factor = 7, RMSE = 0.47, R2 = 0.99, RPD = 8.79; the PLSR model based on SG preprocessing can predict the dry matter content of Dendrobium leaves with Factor = 9, RMSE = 0.2, R2 = 0.99, RPD = 9.55. CONCLUSIONS: These results show that the ResNet model possesses a fast and accurate recognition ability, and at the same time can provide a scientific basis for the processing of a large number of sample data; the PLSR model with MSC and SG preprocessing can predict the dry matter content of Dendrobium stems and leaves, respectively; The suitable harvesting period for D. officinale is from November to April of the following year, with the best harvesting period being December. During this period, it is necessary to ensure sufficient water supply between 7:00 and 10:00 every day and to provide a certain degree of light blocking between 14:00 and 17:00.

A rapid method for identification of Lanxangia tsaoko origin and fruit shape: FT-NIR combined with chemometrics and image recognition.

Lanxangia tsaoko's accurate classifications of different origins and fruit shapes are significant for research in L. tsaoko difference between origin and species as well as for variety breeding, cultivation, and market management. In this work, Fourier transform-near infrared (FT-NIR) spectroscopy was transformed into two-dimensional and three-dimensional correlation spectroscopies to further investigate the spectral characteristics of L. tsaoko. Before building the classification model, the raw FT-NIR spectra were preprocessed using multiplicative scatter correction and second derivative, whereas principal component analysis, successive projections algorithm, and competitive adaptive reweighted sampling were used for spectral feature variable extraction. Then combined with partial least squares-discriminant analysis (PLS-DA), support vector machine (SVM), decision tree, and residual network (ResNet) models for origin and fruit shape discriminated in L. tsaoko. The PLS-DA and SVM models can achieve 100% classification in origin classification, but what is difficult to avoid is the complex process of model optimization. The ResNet image recognition model classifies the origin and shape of L. tsaoko with 100% accuracy, and without the need for complex preprocessing and feature extraction, the model facilitates the realization of fast, accurate, and efficient identification.

ResD-Net: A model for rapid prediction of antioxidant activity in gentian root using FT-IR spectroscopy.

Gentian, an herb resource known for its antioxidant properties, has garnered significant attention. However, existing methods are time-consuming and destructive for assessing the antioxidant activity in gentian root samples. In this study, we propose a method for swiftly predicting the antioxidant activity of gentian root using FT-IR spectroscopy combined with chemometrics. We employed machine learning and deep learning models to establish the relationship between FT-IR spectra and DPPH free radical scavenging activity. The results of model fitting reveal that the deep learning model outperforms the machine learning model. The model's performance was enhanced by incorporating the Double-Net and residual connection strategy. The enhanced model, named ResD-Net, excels in feature extraction and also avoids gradient vanishing. The ResD-Net model achieves an R2 of 0.933, an RMSE of 0.02, and an RPD of 3.856. These results support the accuracy and applicability of this method for rapidly predicting antioxidant activity in gentian root samples.

Review of postharvest processing of edible wild-grown mushrooms.

Edible wild-grown mushrooms, plentiful in resources, have excellent organoleptic properties, flavor, nutrition, and bioactive substances. However, fresh mushrooms, which have high water and enzymatic activity, are not protected by cuticles and are easily attacked by microorganisms. And wild-grown mushroom harvesting is seasonal the harvest of edible wild-grown mushrooms is subject to seasonality, so their market availability is challenging. Many processing methods have been used for postharvest mushroom processing, including sun drying, freezing, packaging, electron beam radiation, edible coating, ozone, and cooking, whose effects on the parameters and composition of the mushrooms are not entirely positive. This paper reviews the effect of processing methods on the quality of wild and some cultivated edible mushrooms. Drying and cooking, as thermal processes, reduce hardness, texture, and color browning, with the parallel that drying reduces the content of proteins, polysaccharides, and phenolics while cooking increases the chemical composition. Freezing, which allows mushrooms to retain better hardness, color, and higher chemical content, is a better processing method. Water washing and ozone help maintain color by inhibiting enzymatic browning. Edible coating facilitates the maintenance of hardness and total sugar content. Electrolytic water (EW) maintains total phenol levels and soluble protein content. Pulsed electric field and ultrasound (US) inhibit microbial growth. Frying maintains carbohydrates, lipids, phenolics, and proteins. And the mushrooms processed by these methods are safe. They are the focus of future research that combines different methods or develops new processing methods, molecular mechanisms of chemical composition changes, and exploring the application areas of wild mushrooms.

Machine learning applications for multi-source data of edible crops: A review of current trends and future prospects.

The quality and safety of edible crops are key links inseparable from human health and nutrition. In the era of rapid development of artificial intelligence, using it to mine multi-source information on edible crops provides new opportunities for industrial development and market supervision of edible crops. This review comprehensively summarized the applications of multi-source data combined with machine learning in the quality evaluation of edible crops. Multi-source data can provide more comprehensive and rich information from a single data source, as it can integrate different data information. Supervised and unsupervised machine learning is applied to data analysis to achieve different requirements for the quality evaluation of edible crops. Emphasized the advantages and disadvantages of techniques and analysis methods, the problems that need to be overcome, and promising development directions were proposed. To monitor the market in real-time, the quality evaluation methods of edible crops must be innovated.

Volatile compounds and aroma characteristics of mushrooms: a review.

Mushrooms are popular due to their rich medicinal and nutritional value. Of the many characteristics of mushrooms, aroma has received extensive attention and research as a key determinant of consumer preference. This paper reviews the production, role and contribution of common volatile compounds (VCs) in wild and cultivated mushrooms, and explores the methods used to characterize them and the factors influencing aroma. To date, more than 347 common VCs have been identified in mushrooms, such as aldehydes, ketones, alcohols and sulfur-containing compounds. Extraction and identification of VCs is a critical step and combining multiple analytical methods is an effective strategy in mushroom aroma studies. In addition, the VCs and the aroma of mushrooms are affected by a variety of factors such as genetics, growing conditions, and processing methods. However, the mechanism of influence is unknown. Further studies on the production mechanisms of VCs, their contribution to aroma, and the factors influencing their formation need to be determined in order to fully elucidate aroma and flavor of mushrooms.

Comparison of Metabolites and Species Classification of Thirteen Zingiberaceae Spices Based on GC-MS and Multi-Spectral Fusion Technology.

Due to a similar plant morphology in the majority of Zingiberaceae spices, substitution and adulteration frequently take place during the sales process. Therefore, it is important to analyze the metabolites and species classification of different Zingiberaceae spices. This study preliminarily explored the differences in the metabolites in thirteen Zingiberaceae spices through untargeted gas chromatography-mass spectrometry (GC-MS) and combined spectroscopy, establishing models for classifying different Zingiberaceae spices. On one hand, a total of 81 metabolites were successfully identified by GC-MS. Thirty-seven differential metabolites were screened using variable important in projection (VIP ≥ 1). However, the orthogonal partial least squares discriminant analysis (OPLS-DA) model established using GC-MS data only explained about 30% of the variation. On the other hand, the partial least squares discriminant analysis (PLS-DA) models with three spectral data fusion strategies were compared, and their classification accuracy reached 100%. Among them, the mid-level data fusion model based on latent variables had the best performance. This study provides a powerful tool for distinguishing different Zingiberaceae spices and assists in reducing the occurrence of substitution and adulteration phenomena.

An integrated chemical characterization based on FT-NIR, and GC-MS for the comparative metabolite profiling of 3 species of the genus Amomum.

BACKGROUND: The fruits and seeds of genus Amomum are well-known as medicinal plants and edible spices, and are used in countries such as China, India and Vietnam to treat malaria, gastrointestinal disorders and indigestion. The morphological differences between different species are relatively small, and technical characterization and identification techniques are needed. RESULTS: Fourier transform near infrared spectroscopy (FT-NIR) and gas chromatography-mass spectrometry (GC-MS), combined with principal component analysis and two-dimensional correlation analysis were used to characterize the chemical differences of Amomum tsao-ko, Amomum koenigii, and Amomum paratsaoko. The targets and pathways for the treatment of diabetes mellitus in three species were predicted using network pharmacology and screened for the corresponding pharmacodynamic components as potential quality markers. The results of "component-target-pathway" network showed that (+)-Nerolidol, 2-Nonanol, α-Terpineol, α-Pinene, 2-Nonanone had high degree values and may be the main active components. Partial least squares-discriminant analysis (PLS-DA) was further used to select for differential metabolites and was identified as a potential quality marker, 11 in total. PLS-DA and residual network (ResNet) classification models were developed for the identification of 3 species of the genus Amomum, ResNet model is more suitable for the identification study of large volume samples. SIGNIFICANCE: This study characterizes the differences between the three species in a visual way and also provides a reliable technique for their identification, while demonstrating the ability of FT-NIR spectroscopy for fast, easy and accurate species identification. The results of this study lay the foundation for quality evaluation studies of genus Amomum and provide new ideas for the development of new drugs for the treatment of diabetes mellitus.

Building deep learning and traditional chemometric models based on Fourier transform mid-infrared spectroscopy: Identification of wild and cultivated Gastrodia elata.

To identify wild and cultivated Gastrodia elata quickly and accurately, this study is the first to apply three-dimensional correlation spectroscopy (3DCOS) images combined with deep learning models to the identification of G. elata. The spectral data used for model building do not require any preprocessing, and the spectral data are converted into three-dimensional spectral images for model building. For large sample studies, the time cost is minimized. In addition, a partial least squares discriminant analysis (PLS-DA) model and a support vector machine (SVM) model are built for comparison with the deep learning model. The overall effect of the deep learning model is significantly better than that of the traditional chemometric models. The results show that the model achieves 100% accuracy in the training set, test set, and external validation set of the model built after 46 iterations without preprocessing the original spectral data. The sensitivity, specificity, and the effectiveness of the model are all 1. The results concluded that the deep learning model is more effective than the traditional chemometric model and has greater potential for application in the identification of wild and cultivated G. elata.

Rapid and Accurate Authentication of Porcini Mushroom Species Using Fourier Transform Near-Infrared Spectra Combined with Machine Learning and Chemometrics.

Porcini mushrooms have high nutritional value and great potential, but different species are easily confused, so it is essential to identify them rapidly and precisely. The diversity of nutrients in stipe and cap will lead to differences in spectral information. In this research, Fourier transform near-infrared (FT-NIR) spectral information about imparity species of porcini mushroom stipe and cap was collected and combined into four data matrices. FT-NIR spectra of four data sets were combined with chemometric methods and machine learning for accurate evaluation and identification of different porcini mushroom species. From the results: (1) improved visualization level of t-distributed stochastic neighbor embedding (t-SNE) results after the second derivative preprocessing compared with raw spectra; (2) after using multiple pretreatment combinations to process the four data matrices, the model accuracies based on support vector machine and partial least-square discriminant analysis (PLS-DA) under the best preprocessing method were 98.73-99.04% and 98.73-99.68%, respectively; (3) by comparing the modeling results of FT-NIR spectra with different data matrices, it was found that the PLS-DA model based on low-level data fusion has the highest accuracy (99.68%), but residual neural network (ResNet) model based on the stipe, cap, and average spectral data matrix worked better (100% accuracy). The above results suggest that distinct models should be selected for dissimilar spectral data matrices of porcini mushrooms. Additionally, FT-NIR spectra have the advantages of being nondevastate and fast; this method is expected to be a promising analytical tool in food safety control.

Discrimination and Evaluation of Wild Paris Using UHPLC-QTOF-MS and FT-IR Spectroscopy in Combination with Multivariable Analysis.

Genus Paris has numerous bioactive constituents such as steroid saponins, flavonoids, and polysaccharose which are responsible for antitumor, hemostatic, and anthelmintic, etc. In this study, ultrahigh performance liquid chromatography coupled to time-of-flight mass spectrometer (UHPLC-QTOF-MS) and Fourier transform infrared (FT-IR) spectroscopy in combination with multivariable analysis were employed to discriminate the different species of Paris including P. polyphylla var. yunnanensis (PPY), P. polyphylla var. alba, P. mairei (PM), P. vietnamensis, and P. polyphylla var. stenophylla. Partial least square discriminate analysis based on UHPLC, FT-IR, and midlevel data fusion was used to distinguish 43 batches of Paris. Chemical constituents of different species Paris were determined by UHPLC-QTOF-MS. The result indicated that midlevel data fusion had a good performance in the classification compared to a single analytical technology. A total of 47 compounds were identified in different species Paris. The similar results indicated that PM could be treated as a proposal substitute of PPY.

Untargeted GC-MS and FT-NIR study of the effect of 14 processing methods on the volatile components of Polygonatum kingianum.

Introduction: Polygonatum kingianum is a traditional medicinal plant, and processing has significantly impacts its quality. Methods: Therefore, untargeted gas chromatography-mass spectrometry (GC-MS) and Fourier transform-near-infrared spectroscopy (FT-NIR) were used to analyze the 14 processing methods commonly used in the Chinese market.It is dedicated to analyzing the causes of major volatile metabolite changes and identifying signature volatile components for each processing method. Results: The untargeted GC-MS technique identified a total of 333 metabolites. The relative content accounted for sugars (43%), acids (20%), amino acids (18%), nucleotides (6%), and esters (3%). The multiple steaming and roasting samples contained more sugars, nucleotides, esters and flavonoids but fewer amino acids. The sugars are predominantly monosaccharides or small molecular sugars, mainly due to polysaccharides depolymerization. The heat treatment reduces the amino acid content significantly, and the multiple steaming and roasting methods are not conducive to accumulating amino acids. The multiple steaming and roasting samples showed significant differences, as seen from principal component analysis (PCA) and hierarchical cluster analysis (HCA) based on GC-MS and FT-NIR. The partial least squares discriminant analysis (PLS-DA) based on FT-NIR can achieve 96.43% identification rate for the processed samples. Discussion: This study can provide some references and options for consumers, producers, and researchers.

Machine learning and deep learning based on the small FT-MIR dataset for fine-grained sampling site recognition of boletus tomentipes.

This study proposed the necessity of identifying the sampling sites for Boletus tomentipes (B.tomentipes) in combination with cadmium content and environmental factors. Based on fourier transform mid-infrared spectroscopy (FT-MIR) preprocessing by 1st, 2nd, MSC, SNV and SG, five machine learning (ML) algorithms (NB, DT, KNN, RF, SVM) and three Gradient Boosting Machine (GBM) algorithms (XGBoost, LightGBM, CatBoost) were built. To avoid complex preprocessing, we construct BoletusResnet model, propose the concepts of 3DCOS, 3DCOS projected images, index images in addition to 2DCOS, and combine them with deep learning (DL) for classification for the first time. It shows that GBM has higher accuracy than ML and DL has better accuracy than GBM. The four DL models presented in this paper achieve fine-grained sampling sites recognition based on small samples with 100 % accuracy, and a computer application system was developed on them. Therefore, spectral image processing combined with DL is a rapid and efficient classification method which can be widely used in food identification.

Traditional uses, chemical compositions and pharmacological activities of Dendrobium: A review.

ETHNOPHARMACOLOGICAL RELEVANCE: Dendrobium is a kind of medicine food homology plant. Dendrobium has long been used to strengthen "Yin" and tonify five viscera. AIM OF THIS REVIEW: This paper presents a systematic review of the folk usage, chemical composition and pharmacological activity of Dendrobium, aiming to provide a reference for subsequent in-depth understanding and better exploitation of health food, medicine, and natural products. MATERIALS AND METHODS: Available information about the genus Dendrobium was collected via Web of Science, PubMed, Science Direct, Scopus, APA-Psy Articles, Google Scholar, Connected Papers, Springer Search, and KNCI. The keywords for this article are Dendrobium, traditional use, chemical diversity and pharmacological activity. Use the "Dictionary of Chinese Ethnic Medicine" to provide 23 kinds of Dendrobium with medicinal value, the Latin name of Dendrobium is verified by the Flora of China (www.iplant.cn), and its species distribution and related information are collected. RESULTS: There are 78 species of Dendrobium in China, 14 of which are endemic to China. At present, 450 compounds including sesquiterpenoids, lignans compounds, phenolic compounds, phenanthrene compounds, bibenzyls, polysaccharides and flavonoids have been isolated and identified from at least 50 species of Dendrobium. Among them, bibenzyls and polysaccharides are the main active components, phenolics and lignans are widely distributed, sesquiterpenes are the most common chemical constituents in genus Dendrobium plants. The most popular research objects are Dendrobium officinale and Dendrobium huoshanense. CONCLUSIONS: Based on traditional folk uses, chemical composition and pharmacological studies, Dendrobium is considered a promising medicinal and edible plant with multiple pharmacological activities. In addition, a large number of clinical applications and further studies on single chemical components based on the diversity of chemical structures should be conducted, which will lay the foundation for the scientific utilization of genus Dendrobium.

Network pharmacology and fingerprint for the integrated analysis of mechanism, identification and prediction in Panax notoginseng.

INTRODUCTION: Panax notoginseng (Burkill) F. H. Chen ex C. H. Chow, is a well-known herb with multitudinous efficacy. In this study, a series of overall analyses on the action mechanism, component content, origin identification, and content prediction of P. notoginseng are conducted. OBJECTIVES: The purpose was to analyse the mechanism of pharmacological efficacy, differences between contents and groups of P. notoginseng from different origins, and to identify the origin and predict the content. MATERIALS AND METHODS: The P. notoginseng samples from four different origins were used for analysis by the database, network pharmacology (Q-marker) and fingerprint analysis [high-performance liquid chromatography (HPLC), attenuated total reflectance Fourier-transform infrared (ATR-FTIR) and near-infrared (NIR)] combined with data fusion strategy (low- and feature-level). RESULTS: Four saponins were identified as Q-markers, and exerted pharmacological effects on signalling pathways through 24 core targets. The qualitative and quantitative analysis of HPLC showed that there were differences among groups and different origins. Therefore, considering the need to treat diseases, combined with network database and network pharmacology, the suitable producing areas were determined through the mechanism of action and the required saponin content. The low-level data fusion successfully identified the origin and predicted the content of P. notoginseng from different origins. The accuracy rate of each evaluation index of the partial least squares discriminant analysis (PLS-DA) model was 1, and the t-SNE (t-distributed stochastic neighbor embedding) visualisation results were good. The coefficient of determination (R2 ) of the partial least squares regression (PLSR) model ranged from 0.9235-0.9996, and the root mean square error of cross-validation (RMSECV) and root mean square error of prediction (RMSEP) range is 0.301-1.519. CONCLUSION: This study was designed to provide a sufficient theoretical basis for the quality control of P. notoginseng.

Application of Identification and Evaluation Techniques for Edible Mushrooms: A Review.

Edible mushrooms are healthy food with high nutritional value, which is popular with consumers. With the increase of the problem of mushrooms being confused with the real and pollution in the market, people pay more and more attention to food safety. More than 167 articles of edible mushroom published in the past 20 years were reviewed in this paper. The analysis tools and data analysis methods of identification and quality evaluation of edible mushroom species, origin, mineral elements were reviewed. Five techniques for identification and evaluation of edible mushrooms were introduced and summarized. The macroscopic, microscopic and molecular identification techniques can be used to identify species. Chromatography, spectroscopy technology combined with chemometrics can be used for qualitative and quantitative study of mushroom and evaluation of mushroom quality. In addition, multiple supervised pattern-recognition techniques have good classification ability. Deep learning is more and more widely used in edible mushroom, which shows its advantages in image recognition and prediction. These techniques and analytical methods can provide strong support and guarantee for the identification and evaluation of mushroom, which is of great significance to the development and utilization of edible mushroom.

Application of UV-Vis and Infrared Spectroscopy on Wild Edible Bolete Mushrooms Discrimination and Evaluation: A Review.

Nowadays, wild edible bolete mushrooms are more and more attractive among consumers due to their natural health, nutrition, and delicious characteristics. Appropriate analytical techniques together with multivariate statistics analysis are required for the quality control and evaluation of these edible mushrooms. Ultraviolet-visible (UV-Vis) and infrared (IR) technologies have the advantages of time-saving, low-cost, and environmentally friendly, are now prominent among major analytical technologies for quality evaluation of bolete mushrooms. Chemometrics methods have been developed to solve classification and regression issues of bolete mushrooms in combination with spectrum. This paper reviewed the most recent applications of UV-Vis and IR technology coupled with chemometrics in wild edible bolete mushrooms, including the identification of species, origin, and storage duration, fraud detection, and antioxidant properties evaluation, and discussed the limitations and prospects of spectroscopy technologies in the researches of bolete mushrooms, excepting to provide a reference for further research and practical application of wild edible bolete mushrooms.

Authentication of Herbal Medicines Based on Modern Analytical Technology Combined with Chemometrics Approach: A Review.

Since ancient times, herbal medicines (HMs) have been widely popular with consumers as a "natural" drug for health care and disease treatment. With the emergence of problems, such as increasing demand for HMs and shortage of resources, it often occurs the phenomenon of shoddy exceed and mixing the false with the genuine in the market. There is an urgent need to evaluate the quality of HMs to ensure their important role in health care and disease treatment, and to reduce the possibility of threat to human health. Modern analytical technology is can be analyzed for analyzing chemical components of HMs or their preparations. Reflecting complex chemical components' characteristic curves in the analysis sample, and the comprehensive effect of active ingredients of HMs. In this review, modern analytical technology (chromatography, spectroscopy, mass spectrometry), chemometrics methods (unsupervised, supervised) and their advantages, disadvantages, and applicability were introduced and summarized. In addition, the authentication application of modern analytical technology combined with chemometrics methods in four aspects, including origin, processing methods, cultivation methods, and adulteration of HMs have also been discussed and illustrated by a few typical studies. This article offers a general workflow of analytical methods that have been applied for HMs authentication and explains that the accuracy of authentication in favor of the quality assurance of HMs. It was provided reference value for the development and application of modern HMs.