Article
Food Science & Technology
Vanessa Jorge dos Santos, Michel Rocha Baqueta, Vanessa Javera Castanheira Neia, Patricia Magalhaes de Souza, Paulo Henrique Marco, Patricia Valderrama, Jesui Vergilio Visentainer
Summary: This research aimed to develop predictive models for the direct determination of proximal composition in human milk samples. By utilizing a portable near-infrared spectrometer and partial least squares regression, the method successfully predicted moisture, ash, protein, lipids, carbohydrates, and energetic value.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2021)
Review
Automation & Control Systems
Maria Frizzarin, Antonio Bevilacqua, Bhaskar Dhariyal, Katarina Domijan, Federico Ferraccioli, Elena Hayes, Georgiana Ifrim, Agnieszka Konkolewska, Thach Le Nguyen, Uche Mbaka, Giovanna Ranzato, Ashish Singh, Marco Stefanucci, Alessandro Casa
Summary: This paper discusses a chemometric data analysis challenge held during the first edition of the International Workshop on Spectroscopy and Chemometrics, where participants aimed to build a calibration model for predicting milk quality traits using mid-infrared spectra. The approaches adopted by participants and the insights obtained from the analyses are outlined and critically discussed.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Chemistry, Analytical
Candela Melendreras, Sergio Forcada, Maria Luisa Fernandez-Sanchez, Belen Fernandez-Colomer, Jose M. Costa-Fernandez, Alberto Lopez, Francisco Ferrero, Ana Soldado
Summary: Breast milk is an optimal food for newborns, meeting all their nutritional needs. Human milk banks in hospitals provide donated milk for feeding premature infants or infants whose mothers are unable to feed them. The development of Near-Infrared Spectroscopy (NIRS) measures for breast milk analysis showed promising results in quality control of macronutrients.
Article
Chemistry, Applied
Vanessa Jorge dos Santos, Michel Rocha Baqueta, Paulo Henrique Marco, Patricia Valderrama, Jesui Vergilio Visentainer
Summary: This study evaluated changes in human milk during one-year storage, focusing on total lipids degradation and NIR spectrometer combined with chemometrics. Results showed changes in mature stages after 75 days and alterations in protein, triacylglycerol, and free fatty acids contents after around 5-6 months. Chemometrics played a crucial role in understanding the biochemical changes in human milk during storage.
Article
Spectroscopy
Karlis Berzins, Samuel D. L. Harrison, Claudia Leong, Sara J. Fraser-Miller, Michelle J. Harper, Aly Diana, Rosalind S. Gibson, Lisa A. Houghton, Keith C. Gordon
Summary: Raman and ATR-FTIR spectroscopy were used to analyze 208 breast milk samples as part of a larger research study. Comprehensive qualitative and quantitative analysis was carried out using chemometric methods, revealing the relationship between macronutrients and sample metadata. The study location and primary food sources were found to have a stronger impact on fat composition than its absolute content, highlighting the limitations and challenges of using spectroscopic techniques for this type of analysis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Review
Food Science & Technology
Mohamed A. Farag, Mohamed Sheashea, Chao Zhao, Amal A. Maamoun
Summary: UV-Vis spectroscopy plays a crucial role in quality control of food and dietary supplements, as well as in various other applications. With the aid of chemometric tools, it can effectively handle large UV-Vis datasets to provide spectral information on complex conjugated systems.
Article
Food Science & Technology
Vanessa Jorge dos Santos, Michel Rocha Baqueta, Paulo Henrique Marco, Patricia Valderrama, Jesui Vergilio Visentainer
Summary: The study developed models based on handheld near-infrared spectroscopy coupled with PLS-DA to classify different phases of human milk effectively. Using VIP scores and preprocessing techniques, classification was most successful in colostrum and mature phases, while the transition phase had poorer results.
FOOD ANALYTICAL METHODS
(2021)
Article
Environmental Sciences
Stefan Platikanov, Marta Terrado, Maria Teresa Pay, Albert Soret, Roma Tauler
Summary: The study applied multivariate curve resolution method to analyze hourly O-3 and NO2 concentrations measured at nineteen air quality monitoring stations in Catalonia, Spain in 2015. Results showed the impacts of various factors on concentration changes. Evaluation of predicted concentrations by the CALIOPE system revealed differences at different spatial resolutions, with NO2 showing better performance, especially at urban stations.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Chemistry, Analytical
Wenqing Zhang, Liang Yin, Ming Zhao, Zhaoyuan Tan, Guiyang Li
Summary: A novel method using ATR-FTIR spectroscopy for rapid quality verification of epoxy resin prepolymers is proposed. The SIMCA method successfully screens out abnormal products, providing a fast and effective quality detection approach for industrial production.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Analytical
Wei Huang, Desheng Fan, Wangfang Li, Yaoyong Meng, Timon Cheng-yi Liu
Summary: This study proposes a rapid and non-destructive method for evaluating milk acidity based on Raman spectroscopy and chemometrics. It utilizes nonlinear modeling to predict the acidity and can detect illegal neutralization of milk acidity.
VIBRATIONAL SPECTROSCOPY
(2022)
Article
Agriculture, Dairy & Animal Science
Pablo Rodriguez-Hernandez, Cipriano Diaz-Gaona, Carolina Reyes-Palomo, Santos Sanz-Fernandez, Manuel Sanchez-Rodriguez, Vicente Rodriguez-Estevez, Nieves Nunez-Sanchez
Summary: Nowadays, there is an increasing demand in society for certification and authentication methodologies to clarify the origin of livestock products. This study aimed to establish a methodology to authenticate the grazing activity of dairy goats using Near-Infrared Spectroscopy (NIRS) analysis of milk and faeces samples. Good discrimination rates were obtained in both milk and faeces samples, demonstrating differences between the two feeding regimes. This methodology has the potential to be used not only in dairy goat systems but also in other animal species and systems.
Article
Automation & Control Systems
Maria Frizzarin, Giulio Visentin, Alessandro Ferragina, Elena Hayes, Antonio Bevilacqua, Bhaskar Dhariyal, Katarina Domijan, Hussain Khan, Georgiana Ifrim, Thach Le Nguyen, Joe Meagher, Laura Menchetti, Ashish Singh, Suzy Whoriskey, Robert Williamson, Martina Zappaterra, Alessandro Casa
Summary: In April 2022, the Vistamilk SFI Research Centre organized the second edition of the International Workshop on Spectroscopy and Chemometrics - Applications in Food and Agriculture. During the workshop, a data challenge was conducted to develop a prediction model for distinguishing dairy cows' diet based on milk spectral information. The accurate and reliable discriminant model is essential for ensuring product origin for dairy food manufacturers. Various statistical and machine learning approaches were used, along with different pre-processing steps and levels of complexity. This paper aims to describe the statistical methods employed by participants in developing the classification model.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2023)
Review
Agriculture, Multidisciplinary
Mahsa Motshakeri, Manisha Sharma, Anthony R. J. Phillips, Paul A. Kilmartin
Summary: This review summarizes the application of electrochemical methods in quantifying various analytes in milk over the past 10-15 years. It covers a wide range of analytes and their corresponding detection tools, discusses pretreatment procedures and the use of novel sensor materials, and provides perspectives on future development.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Article
Agriculture, Multidisciplinary
Alexandre G. M. de Freitas, Barbara E. A. de Magalhaes, Lucas A. C. Minho, Danilo J. Leao, Leandro S. Santos, Sergio Augusto de Albuquerque Fernandes
Summary: The study demonstrates that the combination of ATR-FTIR spectroscopy with MLP and PLS algorithms is effective in identifying milk samples contaminated with tylosin and predicting very low concentrations of tylosin residues in milk. The FTIR with chemometrics proves to be a non-destructive, efficient, and low-cost method for analyzing tylosin residues in fluid milk.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2021)
Article
Spectroscopy
Oumayma Boukria, Sofiane Boudalia, Zuhaib F. Bhat, Abdo Hassoun, Abderrahmane Ait-Kaddour
Summary: This study assessed the potential of three spectroscopic techniques (MIR, fluorescence, and MSI) to detect the adulteration level in camel milk with goat, cow, and ewe milks. The results showed that fluorescence spectroscopy was the most accurate technique, with R2p ranging from 0.63 to 0.96 and an accuracy ranging from 67% to 83%. However, no technique allowed the construction of robust PLSR and PLSDA models for the simultaneous prediction of contamination of camel milk by the three milks.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Medicine, General & Internal
Roberta Risoluti, Giuseppina Gullifa, Vittorio Fineschi, Paola Frati, Stefano Materazzi
Summary: This study uses a novel approach based on thermogravimetry and chemometrics to estimate the time since death in vitreous humor and collect a databank of samples from postmortem examinations. Results demonstrate the ability to predict time of death even in contaminated samples with an accuracy not lower than 70%. The correlation coefficient of the measured versus predicted outcomes was found to be 0.9978, indicating the model's feasibility even in situations involving contaminated vitreous humor.
Article
Polymer Science
Michelina Catauro, Pavel Siler, Jiri Masilko, Roberta Risoluti, Stefano Vecchio Ciprioti
Summary: The present study investigated the structure, morphology, thermal behavior, and bacterial growth analysis of novel three-component hybrid materials synthesized by the sol-gel method. The materials were found to be amorphous and homogeneous regardless of the content of PEG or CGA. The PEG-rich materials retained a lower content of water, while the materials containing CGA had a higher water content due to a larger number of H-bonds with water.
Editorial Material
Biochemistry & Molecular Biology
Roberta Risoluti, Roshan Colah, Stefano Materazzi
FRONTIERS IN MOLECULAR BIOSCIENCES
(2021)
Review
Biochemistry & Molecular Biology
Roberta Risoluti, Giuseppina Gullifa, Laura Barone, Elena Papa, Stefano Materazzi
Summary: This review presents the latest advancements in on-line thermally induced evolved gas analysis (OLTI-EGA) and provides starting references for their applications. On-line coupling of heating devices and mass spectrometry (EGA-MS) allows for the accurate interpretation of thermally-induced reaction mechanisms and the characterization of evolved products. Selected references from 2019, 2020, and 2021 are collected and briefly described in this review.
Review
Biochemistry & Molecular Biology
Giuseppina Gullifa, Laura Barone, Elena Papa, Stefano Materazzi, Roberta Risoluti
Summary: This article introduces the wide application of on-line thermally induced evolved gas analysis (OLTI-EGA) in various fields and reviews the latest applications of Evolved Gas Analysis coupled with infrared spectrometers (EGA-FTIR) online. The collected references from 2019, 2020, 2021, and early 2022 are briefly described, providing researchers with easy access to sometimes hard-to-locate applications.
Article
Biochemistry & Molecular Biology
Giuseppina Gullifa, Roberta Risoluti, Cristina Mazzoni, Laura Barone, Elena Papa, Alfredo Battistini, Rodrigo Martin Fraguas, Stefano Materazzi
Summary: Recently, there has been an increasing interest in developing functional foods with encapsulated probiotic bacteria due to their positive impact on human health. Incorporating probiotics into dairy products has been a major challenge, especially for non-refrigerated products. This study utilized spray drying technology to produce a novel nutraceutical formulation using lactic acid bacteria (LAB) and demonstrated that it can maintain a good storage stability of probiotics at room temperature. The optimized formulation showed promising characteristics in terms of providing a sufficient amount of viable cells after digestion and protecting the probiotics during the microencapsulation process by spray drying.
Article
Biochemistry & Molecular Biology
Patrizia Caprari, Elisabetta Profumo, Sara Massimi, Brigitta Buttari, Rachele Rigano, Vincenza Regine, Marco Gabbianelli, Stefania Rossi, Roberta Risoluti, Stefano Materazzi, Giuseppina Gullifa, Laura Maffei, Francesco Sorrentino
Summary: The rheological properties of blood, including increased aggregation and reduced deformability of red blood cells, as well as increased adherence to vascular endothelial cells, play a crucial role in the regulation of blood flow in microcirculation and macrocirculation. Thalassemia patients, both transfusion-dependent and non-transfusion-dependent, exhibit altered hemorheological profiles that may indicate vascular impairment and disease severity. Evaluation of hemorheological profiles, along with the levels of inflammation biomarkers, can provide new indicators for preventing thromboembolic events in thalassemia.
FRONTIERS IN MOLECULAR BIOSCIENCES
(2023)
Article
Thermodynamics
Michelina Catauro, Antonio D'Angelo, Marika Fiorentino, Giuseppina Gullifa, Roberta Risoluti, Stefano Vecchio Ciprioti
Summary: The sol-gel process was used to synthesize organic/inorganic hybrid materials by entrapping different amounts of quercetin in a silica matrix. FTIR spectroscopy was used to reveal the nature of bonds between inorganic and organic components. The hybrid materials showed increased mass loss percentages and antibacterial properties against various bacterial strains.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2022)
Article
Chemistry, Multidisciplinary
Roberta Risoluti, Giuseppina Gullifa, Alfredo Battistini, Stefano Materazzi
