Article
Environmental Sciences
Fernando Ricardo, Renato Mamede, Alicia L. Bruzos, Seila Diaz, Julien Thebault, Eduardo Ferreira da Silva, Carla Patinha, Ricardo Calado
Summary: The geographic origin of bivalves is closely linked to their quality and commercial value. A study has shown that analyzing the elemental fingerprints of bivalve shells can accurately determine their harvesting location at different spatial scales, providing a fast and low-cost tool for tracing the origin of bivalves.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Multidisciplinary Sciences
Sathya Bangaru, Govindammal Madhu, M. Srinivasan, Prasath Manivannan
Summary: Isorhapontigenin (IRPG) is a potential efficient inhibitor for H1N1 and H3N2 subtypes of influenza A virus. The molecule exhibits strong biological activity and has a high binding affinity for the viruses.
Article
Chemistry, Applied
Hui-Wen Gu, Hui-Hui Zhou, Yi Lv, Qiao Wu, Yuan Pan, Zhi-Xin Peng, Xiao-Hua Zhang, Xiao-Li Yin
Summary: This study evaluates the feasibility of UV-Vis spectroscopy for the classification of Chinese red wine samples according to their geographical origins. The results show that UV-Vis spectroscopy combined with principal component analysis, orthogonal partial least squares-discriminant analysis, and support vector machine can accurately discriminate red wine samples from different origins. The study demonstrates that UV-Vis spectroscopy combined with machine learning-based modeling can be a simple, fast, and low-cost tool for routine identification of geographical origins of Chinese red wines.
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
(2023)
Article
Chemistry, Physical
Antonio Raiol, Mayra Pinheiro, Ezequiel Belo, Antonio R. da Cunha, Andrey M. R. Marinho, Simone Y. S. Silva, Sebastiao C. Silva, Tarciso Andrade-Filho, Rodrigo Gester
Summary: The study found that Spilanthol is the most abundant pharmacologic agent in Acmella oleracea and investigated its molecular structure and optical properties, suggesting its potential as a pharmacological agent. Additionally, the analysis showed that the UV-vis spectra are strongly affected by the number of C = C bonds, and undergo an uncommon blue shift from S1 to the S3 structure.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Agriculture, Dairy & Animal Science
Ana Elisa Cabral, Fernando Ricardo, Carla Patinha, Eduardo Ferreira da Silva, Miguel Correia, Jorge Palma, Miquel Planas, Ricardo Calado
Summary: Seahorses are facing numerous anthropogenic pressures worldwide, and a forensic tool to identify their geographic origin can contribute to combating illegal capture and trade. The elemental fingerprints of seahorse bony structures can successfully confirm their geographic origin, enhancing traceability in the trade of these endangered fish.
Article
Food Science & Technology
J. M. Munoz-Redondo, D. Bertoldi, A. Tonon, L. Ziller, F. Camin, J. M. Moreno-Rojas
Summary: This study successfully differentiated avocados from different origins by analyzing stable isotope and elemental composition profiles, revealing the potential of these features in tracing the geographical origin of avocados.
Article
Materials Science, Multidisciplinary
A. A. Al-Shamari, A. M. Abdelghany, Hany Alnattar, A. H. Oraby
Summary: In this study, an eco-friendly and cost-effective route using water was employed for the synthesis of gold nanoparticles via laser ablation technique, and various characterization techniques were used to study the composite thin film structure formed by the gold nanoparticles and polymer matrix. The results showed that the addition of gold nanoparticles significantly affected the optical properties of the composite thin film.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Multidisciplinary Sciences
Pauline Colinet, Hannah Byron, Sami Vuori, Juha-Pekka Lehtio, Pekka Laukkanen, Ludo Van Goethem, Mika Lastusaari, Tangui Le Bahers
Summary: This study reports and compares the photochromic properties of three aluminosilicate natural minerals. An innovative experimental and computational approach is used to understand the origin of these properties. The stability of the colored form is found to be related to the motion of sodium atoms.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Chemistry, Physical
E. Dhanalakshmi, P. Rajesh, S. Suresh, M. Priyadharshini, M. Prabhaharan
Summary: The present study synthesized MIP compound from carbinol extract of Hybanthus Enneaspermus using a green synthesis method. Various analysis techniques were used to characterize the molecular structure and properties of MIP, and the results were validated through calculations and experiments. Molecular docking studies were also conducted to evaluate the compound's interaction with lung and kidney cancer-related receptors.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Physical
Oleksii M. Dykun, Viktor M. Anishchenko, Andrii M. Redko, Volodymyr Rybachenko
Summary: The sulfonylation of gossypol was conducted with stepwise increase of tosyl chloride content in the presence of 4-methoxypyridine N-oxide and triethylamine. It was found that 4-methoxypyridine N-oxide is a more effective catalyst compared to triethylamine, allowing selective tosylation of gossypol to 7,7'-ditosyloxygossypol. The study also investigated the structure and tautomeric equilibria of the obtained product in dichloromethane, showing that a dilactol tautomeric form is more preferable for 7,7'-ditosyloxygossypol.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Materials Science, Multidisciplinary
Kh S. Shaaban, Ateyyah M. Al-Baradi, Atif Mossad Ali
Summary: The 65Na(2)B(4)O(7)-25SiO(2)-(10 - x) CaO-x Cr2O3 glass system was synthesized and investigated for its optical, structural, and radiation shielding characteristics. The addition of Cr2O3 increased the density and decreased the molar volume of the glass. The study also found that the optical properties and radiation shielding ability of the glass were influenced by the presence of Cr2O3. These findings provide valuable insights for the development of glass materials with neutron attenuation applications.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Review
Food Science & Technology
Eleni C. Mazarakioti, Anastasios Zotos, Anna-Akrivi Thomatou, Achilleas Kontogeorgos, Angelos Patakas, Athanasios Ladavos
Summary: Food fraud is a major concern in the food industry, and ICP-MS technique is increasingly used to authenticate the geographical origin of food products.
Review
Chemistry, Organic
K. Parimala
Summary: In this study, the TF5CP compound was extensively investigated both theoretically and experimentally, including vibrational assignments, structural benchmarks, and spectroscopic investigations. Molecular docking research was also conducted to predict the binding interactions between the compound and a receptor.
POLYCYCLIC AROMATIC COMPOUNDS
(2023)
Article
Biochemistry & Molecular Biology
C. Vidya, I. Ragavan, A. Arunkumar, P. M. Anbarasan, Mohd Shkir
Summary: In this study, the 4-dimethylaminopyridinium-2,4-dinitrophenolate (4DMAP + 2,4DNP) was prepared using the slow evaporation solution growth method. The experimental and computational results showed that the 4DMAP + 2,4DNP molecule exhibits excellent nonlinear optical properties, making it a potential candidate for optical limiting, frequency doubling, and optical switching applications.
JOURNAL OF MOLECULAR MODELING
(2023)
Article
Polymer Science
Antonio D'Angelo, Luigi Vertuccio, Cristina Leonelli, Mohammad I. M. Alzeer, Michelina Catauro
Summary: The feasibility of encapsulating the potentially toxic acridine orange (AO) dye in a metakaolin based geopolymer while maintaining its structural integrity was investigated. Various analytical techniques were used to determine the structural, chemical, and mechanical stabilities of the final products, as well as the integrity and stability of the dye inside the geopolymer. The results showed that the addition of AO did not affect the thermal and mechanical properties of the geopolymer, and the dye remained stable within the matrix.
Article
Agriculture, Multidisciplinary
Li Wang, Honggao Liu, Tao Li, Jieqing Li, Yuanzhong Wang
Summary: The study shows that deep learning based on FT-NIR spectroscopy is the most effective method to identify the edible safety of porcini mushrooms, with a recognition accuracy of 100%. By comparing deep learning with partial least square discriminant analysis (PLS-DA), it was found that while the accuracy of PLS-DA test set is 96.10%, poisonous porcini cannot be wrongly judged. Additionally, deep learning can trace the geographic origin of Leccinum rugosiceps in the Midu area with 100% accuracy.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2022)
Article
Biochemical Research Methods
Jia Qi Yue, Heng Yu Huang, Yuan Zhong Wang
Summary: This study proposed a method combining deep learning and 2DCOS for rapid identification of medicinal plants, achieving 100% accuracy in origin identification for Paris polyphylla var. yunnanensis. The ResNet models are stable, reliable, and robust, expanding the application field of deep learning and providing practical reference for related research of other medicinal plants.
PHYTOCHEMICAL ANALYSIS
(2022)
Article
Automation & Control Systems
Lu Liu, Wan-Yi Li, Zhi-Tian Zuo, Yuan-Zhong Wang
Summary: Based on different complementary analysis techniques, a data fusion strategy was studied for quality evaluation of Vietnamese ginseng, showing effective differentiation of age and parts. Low-level and mid-level fusion methods achieved optimal results in different models for classification.
JOURNAL OF CHEMOMETRICS
(2021)
Article
Biochemical Research Methods
Lian Li, Zhi-Tian Zuo, Yuan-Zhong Wang
Summary: This study successfully identified the geographical traceability of different parts of Wolfiporia cocos using two-dimensional correlation spectroscopy and multivariate statistical analysis methods such as residual convolutional neural network and partial least square discriminant analysis. The results showed that synchronous SD 2DCOS was more suitable for identifying complex mixed systems. These methods can provide technical support for the identification and quality evaluation of herbal geographical origins.
PHYTOCHEMICAL ANALYSIS
(2022)
Article
Food Science & Technology
Jian Chen, Jie qing Li, Tao Li, Hong gao Liu, Yuan zhong Wang
Summary: This study developed a rapid method using near-infrared spectroscopy to identify the storage duration and species of sliced boletes. A strategy based on two-dimensional correlation spectroscopy images and residual convolutional neural network model showed superior classification performance, providing a promising way for authenticity testing in the supply chain of boletes.
JOURNAL OF FOOD SCIENCE
(2022)
Article
Biochemical Research Methods
Zhi-Ying Cui, Chun-Lu Liu, Dan-Dan Li, Yuan-Zhong Wang, Fu-Rong Xu
Summary: This study aimed to analyze the correlation of components and activities of P. notoginseng from different origins and develop a rapid identification method. Pharmacological experiments, HPLC, and spectroscopy combined with chemometrics methods were conducted to analyze the main roots of P. notoginseng from four different origins in Yunnan Province. The results showed that the saponin content of P. notoginseng main roots was not significantly different, but the anticoagulant activity was positively correlated with the contents of the three saponins. The variable selection method improved the performance of the model, and the variable importance in projection had the best ability to identify the origins of P. notoginseng.
PHYTOCHEMICAL ANALYSIS
(2022)
Article
Environmental Sciences
Ji Zhang, Jerzy Falandysz, Anetta Hanc, Wiktor Lorenc, Yuanzhong Wang, Danuta Baralkiewicz
Summary: This study investigated the occurrence, distribution, and associations of various elements in the inner and outer parts of Pachyma hoelen sclerotia in Southern China. The quality of forest and agricultural soil was found to be the main factor determining the occurrence of minerals in sclerotia. The concentration of elements was generally higher in the outer part compared to the inner part, except for silver. Additionally, there were different association patterns of elements in different morphological parts of the sclerotia. Further research should be conducted to assess the relationship between minerals and bioactive organic compounds produced by P. hoelen.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Automation & Control Systems
Xiong Chen, Hong Gao Liu, Jie Qing Li, Yuan Zhong Wang
Summary: This study developed a method to simultaneously identify the species and geographical origins of boletes. By combining Fourier transform near-infrared data and residual neural network image analysis model, reliable identification of boletes can be achieved. In addition, the important environmental factors affecting the distribution of boletes were identified using the maximum entropy model, highlighting the crucial role of precipitation factors in the distribution and chemical composition differences of boletes.
JOURNAL OF CHEMOMETRICS
(2022)
Review
Microbiology
Shuai Liu, Honggao Liu, Jieqing Li, Yuanzhong Wang
Summary: Wild edible mushrooms are delicious seasonal foods that are rich in nutrients but may also contain harmful heavy metals. This paper reviews the content of essential trace elements and harmful heavy metals in nearly 400 species of wild edible mushrooms, and analyzes the internal and external factors that affect elemental content.
Article
Biochemical Research Methods
Chunlu Liu, Furong Xu, Zhitian Zuo, Yuanzhong Wang
Summary: This study conducted a comprehensive analysis on the action mechanism, component content, origin identification, and content prediction of Panax notoginseng. Four saponins were identified as Q-markers, and exerted pharmacological effects on signaling pathways through 24 core targets. HPLC analysis revealed differences among groups and different origins. 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 Panax notoginseng from different origins.
PHYTOCHEMICAL ANALYSIS
(2023)
Article
Food Science & Technology
Yulin Xu, Weize Yang, Xuewei Wu, Yuanzhong Wang, Jinyu Zhang
Summary: This study compares traditional models with a deep learning model called ResNet and finds that ResNet has significant advantages in feature extraction and recognition. Preprocessing plays a crucial role in feature extraction and model performance, and VIP features yield the best results in traditional modelling. This research is practically significant for the application development of ResNet model in foods, spices, and medicinal plants.
Article
Chemistry, Analytical
Yuangui Yang, Fan Li, Hongbo Xu, Zhishu Tang, Yuanzhong Wang
Summary: In this study, UHPLC-QTOF-MS and FT-IR combined with multivariable analysis were used to discriminate different species of Paris. The midlevel data fusion showed good performance in classification. A total of 47 compounds were identified using UHPLC-QTOF-MS. The results suggested that PM could be a substitute for PPY.
INTERNATIONAL JOURNAL OF ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hong Liu, Honggao Liu, Jieqing Li, Yuanzhong Wang
Summary: This research collected Fourier transform near-infrared (FT-NIR) spectral information of different species of porcini mushroom stipe and cap and used chemometric methods and machine learning for accurate evaluation and identification. The results showed high accuracies of the models based on support vector machine and partial least-squares discriminant analysis (PLS-DA), reaching 98.73-99.04% and 98.73-99.68%, respectively. The models based on low-level data fusion and residual neural network achieved the highest accuracies of 99.68% and 100%, respectively. The study suggests that different models should be selected for different spectral data matrices of porcini mushrooms, and FT-NIR spectra are promising in food safety control.
Article
Food Science & Technology
Shuai Liu, Honggao Liu, Jieqing Li, Yuanzhong Wang
Summary: This study combines three-dimensional correlation spectroscopy (3DCOS) images with deep learning models to quickly and accurately identify wild and cultivated Gastrodia elata. The spectral data used for model building do not require preprocessing and are converted into three-dimensional spectral images. A partial least squares discriminant analysis (PLS-DA) model and a support vector machine (SVM) model are also built for comparison. The deep learning model outperforms the traditional chemometric models, achieving 100% accuracy in multiple sets without preprocessing.
FOOD SCIENCE & NUTRITION
(2023)
Article
Food Science & Technology
Hui Wen, Tianmei Yang, Weize Yang, Meiquan Yang, Yuanzhong Wang, Jinyu Zhang
Summary: In this study, the differences in metabolites in thirteen Zingiberaceae spices were explored using GC-MS and combined spectroscopy. A total of 81 metabolites were identified by GC-MS, with 37 differential metabolites screened using VIP >= 1. However, the OPLS-DA model established with GC-MS data only explained about 30% of the variation. On the other hand, the PLS-DA models with three spectral data fusion strategies achieved a classification accuracy of 100%. The mid-level data fusion model based on latent variables performed the best. This study provides a powerful tool for distinguishing different Zingiberaceae spices and helps reduce the occurrence of substitution and adulteration phenomena.
