Article
Soil Science
Alla Nasonova, Guy J. Levy, Oshri Rinot, Gil Eshel, Mikhail Borisover
Summary: This study aimed to predict the dissolved organic C (DOC) concentration and water-extractable organic matter (WEOM) composition-related attributes of aqueous soil extracts using mid-infrared (IR) spectra of bulk soils and partial least square (PLS) regression. The results showed that the prediction of aromatic and fluorescent components in soil extracts was more successful than the prediction of DOC concentrations.
Article
Engineering, Multidisciplinary
Jin Li, Xinyuan Xing, Xiangdao Hou, Tao Wang, Jiayu Wang, Feipeng Xiao
Summary: This study proposes a rapid and accurate method for determining SARA fractions in petroleum asphalts using MIR spectra and PLSR modeling. It successfully prepares asphalt samples with different SARA fractions through blending and progressive aging process. By measuring and collecting the SARA fractions and MIR spectra of these samples, quantitative calibration models are developed using the MIR spectra and PLSR method. The results show high consistency between the measured and predicted values, indicating the method's reproducibility and repeatability. This MIR-PLSR method can provide faster SARA determination than standard test methods, making it applicable for real-time quality control and in-situ inspection of asphalt materials in road construction.
Article
Agricultural Engineering
M. I. S. Verissimo, C. Soares, C. F. Moreirinha, M. T. S. R. Gomes
Summary: In this study, a method based on NIR spectroscopy was used to predict the pour point and ethanol content of biodiesel mixtures. The results showed that this method has good prediction capability and is faster and more convenient compared to the traditional ASTM D97-08 procedure.
BIOMASS & BIOENERGY
(2023)
Article
Spectroscopy
Gerard Dumancas, Indra Adrianto
Summary: This study developed a stacked regression ensemble approach using near infrared spectroscopic method for accurate determination of biomass compositional analyses. The performance of various machine learning techniques was compared, and the stacked regression outperformed other methods, providing a more accurate prediction of biomass compositions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Automation & Control Systems
Fabio Fornari, Fabio Montisci, Federica Bianchi, Marina Cocchi, Claudia Carraro, Francesca Cavaliere, Pietro Cozzini, Francesca Peccati, Paolo P. Mazzeo, Nicolo Riboni, Maria Careri, Alessia Bacchi
Summary: This study explores the use of chemometrics to aid the discovery of cocrystals of active ingredients suitable for various applications. Partial Least Squares-Discriminant Analysis is used to discern cocrystals from binary mixtures based on the molecular features of the coformers. The proposed methodology resulted in a successful prediction rate of 85% for the test set in the model validation phase and of 74% for the external validation set.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Cell Biology
David Perez-Guaita, Guillermo Quintas, Zeineb Farhane, Roma Tauler, Hugh J. Byrne
Summary: Raman microspectroscopy is a label-free technique that is well-suited for studying drug uptake and cellular responses. This paper proposes the integration of kinetic equations into the modeling process to provide a more comprehensive understanding of the system. The results show that the choice of equations and the temporal resolution of the data are crucial factors, and the use of tailored kinetic constraints can improve the accuracy of the results.
Article
Food Science & Technology
Larissa K. R. Silva, Josane C. Jesus, Rebeca R. Onelli, Daniele G. Conceicao, Leandro S. Santos, Sibelli P. B. Ferrao
Summary: The study utilized spectroscopy and chemometric approaches to discriminate Coalho cheese from different mesoregions of the State of Bahia, Brazil, with near infrared spectroscopy showing great effectiveness in distinguishing the cheeses.
INTERNATIONAL JOURNAL OF DAIRY TECHNOLOGY
(2021)
Article
Chemistry, Analytical
Alejandro C. Olivieri
Summary: The present tutorial aims to demonstrate the importance of applying constraints when processing second-order analytical data with MCR-ALS, and show how these constraints can reduce or eliminate the impact of rotational ambiguity. Additionally, it provides details on a newly developed method for estimating uncertainty in predicted analyte concentrations.
MICROCHEMICAL JOURNAL
(2022)
Article
Food Science & Technology
Sonia Nieto-Ortega, Silvia Mas Garcia, Angela Melado-Herreros, Giuseppe Foti, Idoia Olabarrieta, Jean-Michel Roger
Summary: This study investigates the kinetics and mechanisms involved in the cooking process of b & eacute;chamel sauces using a hand-held near infrared spectroscopy (NIRS) sensor and multivariate curve resolution-alternating least-squares (MCR-ALS) approach. It was found that the kinetic constants of the sauces varied depending on the initial temperature of the cooking process. The results provide a new strategy for studying the manufacturing process of b & eacute;chamel sauces in a nondestructive way.
FOOD AND BIOPROCESS TECHNOLOGY
(2023)
Article
Chemistry, Applied
Annelisa Arruda de Brito, Fernanda Campos, Abadia dos Reis Nascimento, Clarissa Damiani, Flavio Alves da Silva, Gustavo Henrique de Almeida Teixeira, Luis Carlos Cunha Junior
Summary: This study used a portable Vis-NIR spectrometer to collect the spectra of fresh tomatoes from five tomato cropping regions in Brazil and developed models to predict the color and dry matter content of tomatoes. The results showed good prediction results for color and dry matter, but poor prediction results for titratable acidity.
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
(2022)
Article
Food Science & Technology
Gayatri Mishra, Brajesh Kumar Panda, Wilmer Ariza Ramirez, Hyewon Jung, Chandra B. Singh, Sang-Heon Lee, Ivan Lee
Summary: This study used hyperspectral imaging in the NIR range to rapidly and non-destructively detect AFB1 content in almonds. Through the development of MLR models, good prediction capabilities were achieved.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Automation & Control Systems
Yinran Xiong, Wuye Yang, Huiyun Liao, Zhenlin Gong, Zhenzhen Xu, Yiping Du, Wei Li
Summary: In this study, a new variable selection method called 'Attention-PLS' was proposed, which combines PLS with the attention mechanism in a neural network to build a linear model between chemical properties and multivariables. The results show that Attention-PLS has better prediction performances.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Engineering, Multidisciplinary
Jinfu Wang, Shunyi Zhao, Fei Liu, Zhenyi Ma
Summary: Process monitoring plays a significant role in improving the quality of process conduct in modern industry. This paper proposes a method that integrates Variational AutoEncoders (VAE) and partial least squares (PLS) and compares it with other methods. The superiority of this proposed method will be verified through simulation and application in the Trimethylchlorosilane purification process, specifically in terms of multivariate control charts.
CMES-COMPUTER MODELING IN ENGINEERING & SCIENCES
(2022)
Review
Chemistry, Analytical
Maria B. Anzardi, Juan A. Arancibia, Alejandro C. Olivieri
Summary: This review focuses on recent research works on multi-way chromatographic data for analytical calibration, classification, and discrimination, discussing the chemometric models typically used to process these data and the advantages in both quantitative and qualitative analyses. The processing of multi-way chromatographic data provides compressed information for classification and discrimination purposes, allowing for more efficient analysis without the need for complete resolution and quantitation of individual analytes.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Nikolas Mateus Pereira de Souza, Brenda Hunter Machado, Licerio Vicente Padoin, Daniel Pra, Andre Poisl Fay, Valeriano Antonio Corbellini, Alexandre Rieger
Summary: Breast cancer is the most common cancer worldwide, and the prognosis and survival of patients depend on the diagnostic stage. The traditional screening method, mammography, has limitations such as long waiting periods and high false positive rates. In contrast, Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy is a noninvasive, low-cost, and rapid technique that can accurately assess the molecular subtypes of breast cancer through the analysis of blood plasma samples. This technology has the potential to improve early screening, clinical management, and overall prognosis.
Article
Biochemical Research Methods
Nerea Munoz-Almagro, Fabian Rico-Rodriguez, Peter J. Wilde, Antonia Montilla, Mar Villamiel
Article
Food Science & Technology
Lorenzo Strani, Silvia Grassi, Ernestina Casiraghi, Cristina Alamprese, Federico Marini
FOOD AND BIOPROCESS TECHNOLOGY
(2019)
Article
Food Science & Technology
Silvia Grassi, Lorenzo Strani, Ernestina Casiraghi, Cristina Alamprese
Article
Acoustics
Fabian Rico-Rodriguez, Mar Villamiel, Laura Ruiz-Aceituno, Juan Carlos Serrato, Antonia Montilla
ULTRASONICS SONOCHEMISTRY
(2020)
Article
Biochemistry & Molecular Biology
Alessandro D'Alessandro, Daniele Ballestrieri, Lorenzo Strani, Marina Cocchi, Caterina Durante
Summary: Research conducted over three years on twelve basil varieties and four different cuts revealed that variety and year had significant effects on the aroma profiles of basil, with variety showing a more pronounced impact.
Article
Chemistry, Analytical
Lorenzo Strani, Raffaele Vitale, Daniele Tanzilli, Francesco Bonacini, Andrea Perolo, Erik Mantovani, Angelo Ferrando, Marina Cocchi
Summary: Petrochemical companies aim to assess final product quality in real time to reduce chemical wastes and staff effort. This study explores the feasibility of using multiblock regression methods to build real-time monitoring models for predicting the quality properties of ABS by fusing NIR and process sensors data. The results show that good prediction models can be constructed using measurements from sensors at different stages of the ABS production process, allowing real-time estimation of final product quality before the process is completed.
Article
Chemistry, Physical
Andres Cordova, Paola Henriquez, Helena Nunez, Fabian Rico-Rodriguez, Cecilia Guerrero, Carolina Astudillo-Castro, Andres Illanes
Summary: Ultrasound-assisted enzyme catalysis has wide applications in the agri-food sector. Current research is focused on enzyme extraction, hydrolysis, and synthesis reactions, with promising results. However, further studies are needed to understand the effect of ultrasound intensity on enzyme activity.
Article
Chemistry, Multidisciplinary
Lorenzo Strani, Erik Mantovani, Francesco Bonacini, Federico Marini, Marina Cocchi
Summary: Process analytical technology and multivariate process monitoring are effective methods to achieve real-time quality monitoring/control in production. Building predictive models based on online sensors, integrating spectroscopic and process data through multivariate analysis, enhances the evaluation of product quality early on. The fusion of spectra and process data improves real-time monitoring, allowing easier visualization of the ongoing process, faster fault identification, and real-time assessment of final product quality.
FRONTIERS IN CHEMISTRY
(2021)
Article
Food Science & Technology
Silvia Grassi, Lorenzo Strani, Cristina Alamprese, Nicolo Pricca, Ernestina Casiraghi, Giovanni Cabassi
Summary: This study proposes a process analytical technology approach using near infrared spectroscopy and multivariate statistical process control charts for the control of milk coagulation. The results demonstrate the effectiveness of this method in monitoring coagulation times and detecting possible failures.
Article
Chemistry, Analytical
Lorenzo Strani, Alessandro D'Alessandro, Daniele Ballestrieri, Caterina Durante, Marina Cocchi
Summary: This study aims to assess the potential of combining ultra-fast chromatography-based electronic nose with multivariate data analysis in food quality control, and investigate the impact of factors such as basil variety, cut, and year of crop on the aroma of samples. The analysis of chromatographic signals using a low-level data fusion approach combined with Principal Component Analysis and ANOVA-Simultaneous Component Analysis revealed that variety and year are the most relevant effects on the aroma.
Article
Education, Scientific Disciplines
Gabriel Elias Chanchi-Golondrino, Manuel Alejandro Ospina-Alarcon, Fabian Rico-Rodriguez
Summary: This article proposes a set of accessibility recommendations to improve the positioning of corporate web portals, and develops an automated tool for conducting accessibility inspections. The relevance of these recommendations is verified through inspections on a sample portal.
REVISTA CIENTIFICA
(2022)
Review
Food Science & Technology
Silvia Grassi, Maria Tarapoulouzi, Alessandro D'Alessandro, Sofia Agriopoulou, Lorenzo Strani, Theodoros Varzakas
Summary: Adulteration and fraud have become common practices due to the greed of some individuals and their desire to deceive consumers. The industry has implemented strict controls and invested in technologies, such as chemometric techniques, to detect and quantify adulterants in food products. However, proper training is also crucial to effectively combat fraud and promote the authentic origin of food and drinks. This paper provides an overview of various chemometric techniques and detection devices used in the fight against adulteration, as well as the steps to develop a chemometric model.
Article
Food Science & Technology
Laura Maletti, Veronica D'Eusanio, Lisa Lancellotti, Andrea Marchetti, Luca Pincelli, Lorenzo Strani, Lorenzo Tassi
Summary: This study investigates two alternative laboratory methods for candying fresh watermelon rinds. The results show that the candying methods, as well as the watermelon cultivars, have significant effects on the volatile organic compounds in the candied fruit.
Article
Biotechnology & Applied Microbiology
Mohamad Rais Hasan, Che Azurahanim Che Abdullah, Mustapha Nor Afizah, Mohd Sabri Mohd Ghazali, Mohd Adzahan Noranizan
Summary: This study evaluates the efficacy of ultrasound in the extraction process of calcium hydroxyapatite (HAp). The findings show that low-intensity and moderate-intensity ultrasonication reduce the whiteness index and yield of HAp, while high-intensity ultrasonication reduces particle size and improves crystallinity.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Barbara Flaibam, Rosana Goldbeck
Summary: This study evaluated the possibility of extracting proteins and obtaining hydrolysates from non-animal agro-industrial waste using enzymes for the production of cultured meat inputs. Results showed that the application of enzymes can maximize the use of protein from these wastes, providing a low-cost and environmentally friendly route with nutritional potential for cultured meat.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Robson Costa de Sousa, Ariany Binda Silva Costa, Marcos Daniel Martins Freitas, Maisa Tonon Bitti Perazzini, Hugo Perazzini
Summary: This study investigated the drying kinetics of black pepper through experimental and mathematical modeling approaches. The models developed provided valuable insights into the coupling between heat and mass transfers during the drying process, and accurately described the drying behavior of black pepper.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Ali Nikkhah, Hasan Nikkhah, Amir Shahbazi, Mona Kamelan Zargar Zarin, Duygu Beykal Iz, Mohammad-Taghi Ebadi, Mohammad Fakhroleslam, Burcu Beykal
Summary: Cumin and eucalyptus essential oils were enriched to meet ISO standards using a dynamic fractional distillation process. The optimization results showed low operating costs and potential for improving process efficiency.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Sakshi Gupta, Gargi Ghoshal
Summary: A study was conducted to prepare green gram protein hydrogel enriched with curcumin and evaluate its physicochemical properties. The results showed that the hydrogel had high encapsulation efficiency, swelling capacity, and antioxidant property. Furthermore, applying the hydrogel as a coating on tomatoes and apples proved to be effective.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Calvin Lo, Rene H. Wijffels, Michel H. M. Eppink
Summary: This study developed a novel strategy to separate dissolved oils from imidazole/hexanoic acid mixture and regenerate the solvent using polar antisolvents. By adding small amounts of water and methanol, high recovery of lipids was achieved, while ethanol required a large amount and caused solvent dilution.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
Article
Biotechnology & Applied Microbiology
Manoj Sawale, Patnarin Benyathiar, Pablo Coronel, Ajay Rawat, Josip Simunovic, Ferhan Ozadali, Dharmendra K. Mishra
Summary: Microwave and ohmic heating are popular choices for aseptic processing due to their rapid heating capabilities and better product quality. This study aims to find an alternative approach to simulate processing conditions by modeling and validating the process using surrogate particles and microorganisms. A mathematical model was used to simulate heat transfer in fluid and solid particles. The process was validated using simulated particles and surrogate microorganisms, with magnetic implants in spherical particles to measure residence time distribution. The microwave aseptic system was successfully validated for producing shelf-stable particulate food products.
FOOD AND BIOPRODUCTS PROCESSING
(2024)
