Article
Agriculture, Multidisciplinary
Osman Taylan, Nur Cebi, Mustafa Tahsin Yilmaz, Osman Sagdic, Durmus Ozdemir, Mohammed Balubaid
Summary: A new method was developed to detect green pea adulteration in pistachio nuts using a Raman spectrometer and chemometrics. Differentiation between authentic pistachio nuts and adulterated samples was achieved through hierarchical cluster analysis, principal component analysis, partial least squares regression, and genetic algorithm-based inverse least squares. The detection range of green pea adulteration was successfully identified using these techniques.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2021)
Article
Chemistry, Analytical
Zain Ali, Haq Nawaz, Muhammad Irfan Majeed, Nosheen Rashid, Mashkoor Mohsin, Ali Raza, Muhammad Shakeel, Muhammad Zeeshan Ali, Amina Sabir, Muhammad Shahbaz, Usama Ehsan, Hafiz Mahmood ul Hasan
Summary: In this study, Raman spectroscopy was used to qualitatively and quantitatively analyze different concentrations of the antibiotic drug florfenicol. The analysis showed changes in characteristic peaks of the drug and excipients. Principal component analysis and partial least square regression model were used to establish an effective and reliable method for verifying the content of florfenicol in pharmaceutical samples.
ANALYTICAL LETTERS
(2023)
Article
Food Science & Technology
Giuseppe Bonifazi, Giuseppe Capobianco, Riccardo Gasbarrone, Silvia Serranti
Summary: The study evaluated different multivariate classification methods for hyperspectral images in the SWIR range for quality control of pistachio nuts and detection of contaminants. Six material classes were investigated, and PCA was used to explore the acquired images. Various classification methods were employed, with PCA-kNN showing the best discrimination ability. The results demonstrate the potential of SWIR-HSI technology and multivariate analysis for contaminant detection in pistachios.
Article
Automation & Control Systems
Benjamin Mahieu, El Mostafa Qannari, Benoit Jaillais
Summary: This paper introduces how to evaluate the relative importance of variables in predicting the response using the VIP index in partial least squares (PLS) regression, and proposes a permutation test to assess the significance of the VIP values of a given subset of variables. A fast variable selection procedure is also presented.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2023)
Article
Food Science & Technology
Huseyin Efe Genis, Sahin Durna, Ismail Hakki Boyaci
Summary: This study successfully developed a technique for detecting green pea and spinach adulteration in pistachio nuts using NIR spectroscopy and chemometric analysis. The results demonstrated that NIR spectroscopy is a non-destructive, fast, and straightforward method for classification and determination of pistachio adulteration with green pea and spinach.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Article
Spectroscopy
Ali S. Abdelhameed, Mohamed W. Attwa, Mohamed I. Attia, Amer M. Alanazi, Obaid S. Alruqi, Haitham AlRabiah
Summary: New precise, responsive, and selective univariate and multivariate chemometric spectrophotometric methods were developed for determination of vandetanib, dasatinib, and sorafenib in various samples, showing promising results for pharmaceutical analysis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
Xuhui Gao, Desheng Fan, Wangfang Li, Xian Zhang, Zhijiang Ye, Yaoyong Meng, Timon Cheng-yi Liu
Summary: This study aimed to quantitatively detect adulterated concentrations of apple juice or grape juice in pomegranate juice using Raman spectroscopy combined with chemometrics. Two supervised learning algorithms, partial least squares regression (PLSR) and support vector machine regression (SVR), were used to analyze the Raman spectra of 114 samples. The results showed that Raman spectroscopy combined with chemometrics has great potential as a rapid quantitative method to detect adulterated concentrations of pomegranate juice.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Pharmacology & Pharmacy
Agnieszka Wiesner, Pawel Zagrodzki, Marek Jamrozik, Jacek Korchowiec, Monika Marcinkowska, Pawel Pasko
Summary: Chemometric analysis was used to investigate interactions between antiretroviral drugs and food. The study found that the chemical structures of the drugs may contribute to the variable food effect. Correlations between different features of the drugs and food were also revealed. This study is of great importance in understanding interactions between antiretroviral drugs and food.
BRITISH JOURNAL OF CLINICAL PHARMACOLOGY
(2023)
Article
Chemistry, Applied
Xiaofang Sheng, Mingzheng Huang, Tingting Li, Xin Li, Shunyou Cen, Qinyang Li, Qun Huang, Weiyuan Tang
Summary: In this study, volatile compounds were extracted from RRT using HS-SPME and SAFE methods, with 143 compounds identified by GC-MS. Different origins of RRT were well distinguished based on PCA analysis. GC-O analysis identified 45 odor-active components, and QDA revealed prominent grassy and tea-like attributes in RRT. PLSR analysis showed that Longli RRT was closely related to tea-like and woody attributes. Among the identified volatiles, alcohols and esters were considered the dominant compounds, with 4-methoxy-2,5-dimethyl-3(2H)furanone being the most prominent. This study enriches the flavor chemistry theory of RRT and provides a scientific basis for optimizing its aroma and processed products.
Article
Spectroscopy
Xijun Wu, Baoran Xu, Renqi Ma, Yudong Niu, Shibo Gao, Hailong Liu, Yungang Zhang
Summary: This study utilized Raman spectroscopy in combination with convolutional neural network (CNN) and chemometrics to identify and quantify adulterated honey samples. The shallow CNNs accurately classified honey samples adulterated with single-variety syrup into four categories with over 97% accuracy, while the general CNN model achieved an accuracy of 94.79% for detecting honey adulterated with any type of syrup. Additionally, partial least square regression (PLS) successfully predicted the purity of honey mixed with single syrup. The proposed methods based on Raman spectra have significant practical importance for ensuring food safety and quality control of honey products.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Food Science & Technology
Annelisa Arruda de Brito, Fernanda Campos, Abadia dos Reis Nascimento, Gilmarcos de Carvalho Correa, Flavio Alves da Silva, Gustavo Henrique de Almeida Teixeira, Luis Carlos Cunha Junior
Summary: This study utilized partial least square models and near-infrared spectroscopy to analyze tomatoes from different regions, resulting in accurate prediction models for solid content in tomatoes.
Article
Chemistry, Analytical
Piao Su, Shu Liu, Hong Min, Yarui An, Chenglin Yan, Chen Li
Summary: The study proposed a DBP-ANN method to construct a multivariate model for rapid and accurate analysis of the TFe content in branded iron ores. Compared with common multivariate methods, the DBP-ANN method showed better analytical performance.
ANALYTICAL METHODS
(2022)
Article
Biochemical Research Methods
Ruoyu Tang, Xinyu He, Ruiqi Wang
Summary: The study presents a general computational method for constructing maps between different cell fates and parametric conditions by systematic perturbations. The method does not require accurate parameter measurements or bifurcations. The maps obtained can help in understanding how systematic perturbations drive cell fate decisions and transitions, providing valuable information for predicting and controlling cell states.
Article
Neurosciences
Vanessa Valiquette, Elisa Guma, Lani Cupo, Daniel Gallino, Chloe Anastassiadis, Emily Snook, Gabriel A. Devenyi, M. Mallar Chakravarty
Summary: Our understanding of litter variability in neurodevelopmental studies using mice may limit translation of findings. This study assessed the effects of litter on behavioral assessments and brain anatomy in mice, finding litter-specific developmental effects and suggesting to increase the number of litters in experimental designs. Power simulations demonstrated the importance of considering litter effects in neurodevelopmental studies and optimizing the sample size.
Article
Food Science & Technology
Martin Kaufmann, Liane Wagner, Frank Lange, Meike Bergmann
Summary: In this study, a quick and easy procedure based on MALDI-TOF-MS was developed to identify and differentiate between fermented tea varieties from Assam and Darjeeling. The protein-rich extracts of 37 tea samples were analyzed using multivariate statistical methods, and a reliable classification model was established.
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2022)
