Article
Food Science & Technology
Elena Cazzaniga, Nicola Cavallini, Alessandro Giraudo, Gentian Gavoci, Francesco Geobaldo, Mattia Pariani, Daniela Ghirardello, Giuseppe Zeppa, Francesco Savorani
Summary: This study evaluates the feasibility of using near-infrared spectroscopy to determine the lipid content in hazelnuts. The results show that the performance of predicting lipid content is better with the benchtop FT-NIR spectrometer (MPA) than with the portable molecular sensor (SCiO). Further research is needed to evaluate the performance of the SCiO portable spectrometer in this aspect.
Review
Chemistry, Applied
Adriano de Araujo Gomes, Silvana M. Azcarate, Paulo Henrique Gonsalves Dias Diniz, David Douglas de Sousa Fernandes, Germano Veras
Summary: Food analysis is crucial for ensuring the quality and integrity of food products, and selecting effective variables is key to improving the accuracy and robustness of models. By discarding non-informative and redundant signals, more accurate and interpretable models can be established.
Review
Food Science & Technology
Mourad Kharbach, Mohammed Alaoui Mansouri, Mohammed Taabouz, Huiwen Yu
Summary: In today's era of increased food consumption, consumers are demanding higher safety and quality standards for the food products they consume. Advanced spectroscopic techniques, such as hyperspectral and multispectral imaging, NMR, Raman, IR, UV, visible, fluorescence, and X-ray-based methods, offer a promising alternative to traditional analytical techniques for food analysis. These methods provide rapid, non-destructive, cost-effective, and environmentally friendly means of analyzing various aspects of food properties. However, interpreting spectroscopy data can be complex without the assistance of statistical and innovative chemometric approaches.
Article
Food Science & Technology
Raul Gonzalez-Dominguez, Ana Sayago, Angeles Fernandez-Recamales
Summary: This review article provides an overview of the use of advanced chemometrics tools in food authenticity research, emphasizing the importance of selecting and combining different statistical techniques to handle complex data matrices.
Review
Chemistry, Analytical
Hector Fernandez, Maria Alicia Zon, Sabrina Antonella Maccio, Ruben Dario Alaniz, Aylen Di Tocco, Roodney Alberto Carrillo Palomino, Jose Alberto Cabas Rodriguez, Adrian Marcelo Granero, Fernando J. Arevalo, Sebastian Noel Robledo, Gaston Dario Pierini
Summary: We summarize the application of multivariate optimization in the construction of electrochemical biosensors. The introduction provides an overview of electrochemical biosensing and discusses recent works in each category. We explore the relevance of electrochemical biosensors for food safety analysis and describe the chemometrics tools used in their construction. We also discuss the advantages, disadvantages, and future perspectives of using multivariate optimization.
Article
Engineering, Chemical
Sylwester Mazurek, Kamil Pichlak, Roman Szostak
Summary: This study conducted a quantitative analysis of vitamins A and E in commercial ointments using partial least squares models based on FT Raman spectra. The composition of samples was controlled through principal component analysis, and the Raman technique was found to allow for accurate analysis of semisolid formulations.
Article
Spectroscopy
Huan Zhang, Xiaoyun Hu, Limei Liu, Junfu Wei, Xihui Bian
Summary: This study successfully utilized near infrared spectroscopy combined with chemometrics to quantitatively analyze the corn oil content in binary to hexanary edible blend oils. By employing spectral preprocessing and variable selection techniques, accurate prediction models were developed to determine the pure oil content in the blend oils.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Food Science & Technology
Ewa Sikorska, Przemyslaw Nowak, Katarzyna Pawlak-Lemanska, Marek Sikorski
Summary: This study characterized the absorption and fluorescence spectra of different types of strawberry beverages and demonstrated the possibility of distinguishing between direct juices and pasteurized commercial products based on their spectral properties. The analysis of the obtained spectra revealed significant differences between the two groups of juices. By using chemometric methods, the study identified the key factors for differentiating commercial and direct juices as polyphenols and nonenzymatic browning products. This research is important as it can contribute to the development of rapid methods for testing the quality and authenticity of strawberry juices.
Article
Biochemistry & Molecular Biology
Giovanna Abrantes, Valber Almeida, Angelo Jamil Maia, Rennan Nascimento, Clistenes Nascimento, Ygor Silva, Yuri Silva, Germano Veras
Summary: Soil is an important natural resource, and the presence of excessive metals can decrease environmental quality. Analyzing soil metal contents can be costly and time consuming, but near-infrared spectroscopy coupled with chemometric tools can offer a cost-effective alternative. This study evaluated the performance of the Firefly algorithm in predicting metals in river basin soils and found that it outperformed deterministic algorithms in certain cases.
Article
Spectroscopy
Tong Wang, Qian Liu, Wan-Jun Long, An-Qi Chen, Hai-Long Wu, Ru-Qin Yu
Summary: This paper presents a method for simultaneous quantitative analysis of DABE and DAB in biological fluids, which is simple, rapid, low-cost, and has second-order advantage. The results show that the proposed method can effectively handle unknown interferences and spectral overlap, providing satisfactory quantitative results.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Review
Energy & Fuels
Mariana K. Moro, Francine D. dos Santos, Gabriely S. Folli, Wanderson Romao, Paulo R. Filgueiras
Summary: This paper provides an overview of using NMR and IR spectroscopy combined with chemometrics for crude oil characterization, emphasizing the advantages in cost reduction and efficiency improvement.
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
Engineering, Environmental
Selami Demir, Elif Burcu Atci
Summary: This study used activated sludge model no. 3 (ASM3) with biological phosphorus removal processes for simulation work and performed sensitivity analysis on 44 kinetic parameters, identifying 10 parameters suitable for calibration. Results showed negligible effects of the remaining parameters.
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING
(2021)
Article
Chemistry, Analytical
Xihui Bian, Zizhen Zhao, Jianwen Liu, Peng Liu, Huibing Shi, Xiaoyao Tan
Summary: A novel method combining the discretized butterfly optimization algorithm-partial least squares (BOA-PLS) and near-infrared (NIR) spectroscopy is proposed for the rapid determination of blood cholesterol concentration. The results show that the improved V-shaped (I-V) function is the best transfer function for discretization. Preprocessing and variable selection methods based on BOA can improve the prediction performance of PLS. The MSC-MMS can further enhance the predictive accuracy of I-V-BOA-PLS.
ANALYTICAL METHODS
(2023)
Article
Chemistry, Applied
Enya Silva de Oliveira, Luciano Morais Liao, Andressa Kuhnen Silva, Cristiano Sales Prado, Marcelo Martins Sena, Gerlon de Almeida Ribeiro Oliveira
Summary: Free-range chickens and barn-raised broilers have distinct metabolic profiles, and a univariate model based on t-test ranking was found to be simpler and more robust for classification. Barn-raised broilers had lower carnosine and anserine concentrations and higher free amino acid contents. This profiling method could be adapted to other measurement platforms.
Article
Biochemistry & Molecular Biology
Oscar Vidal-Casanella, Javier Moreno-Merchan, Merce Granados, Oscar Nunez, Javier Saurina, Sonia Sentellas
Summary: This study estimated the total polyphenol content and antioxidant capacity in various food and nutraceutical samples using antioxidant assays and chromatographic analysis. The results showed that HPLC fingerprints were suitable for classifying samples based on their nature, and the chromatographic data were correlated with antioxidant data. Regression models based on chromatographic data demonstrated good prediction capacities in estimating the antioxidant activity.
Article
Food Science & Technology
Victor Garcia-Seval, Claudia Martinez-Alfaro, Javier Saurina, Oscar Nunez, Sonia Sentellas
Summary: Two non-targeted fingerprinting approaches using high performance liquid chromatography with ultraviolet detection were evaluated to characterize, classify, and authenticate honey samples. The results showed that the off-line solid-phase extraction HPLC-UV polyphenolic fingerprints had superior performance in discriminating different types of honey samples.
Article
Biochemistry & Molecular Biology
Maria Fernanda Montenegro-Landivar, Paulina Tapia-Quiros, Xanel Vecino, Monica Reig, Merce Granados, Adriana Farran, Jose Luis Cortina, Javier Saurina, Cesar Valderrama
Summary: This study focuses on the recovery of polyphenols from spinach and orange waste using membrane technology. A treatment sequence using selective membranes was proposed to obtain polyphenol-rich streams for various applications and recover clean water streams.
Article
Chemistry, Applied
Guillem Campmajo, Javier Saurina, Oscar Nunez, Sonia Sentellas
Summary: In this study, the potential of using differential mobility spectrometry coupled to mass spectrometry (DMS-MS) for food classification and authentication was explored. By analyzing 70 Spanish paprika samples, complete classification based on geographical origin and excellent authentication of La Vera and Mallorca samples were achieved.
Article
Food Science & Technology
Ancuta Nartea, Benedetta Fanesi, Alessandra Giardinieri, Guillem Campmajo, Paolo Lucci, Javier Saurina, Deborah Pacetti, Dennis Fiorini, Natale Giuseppe Frega, Oscar Nunez
Summary: The impact of different cooking methods on the phytochemical profiles of orange and violet cauliflower was investigated. The study found that the cooking methods significantly influenced the distribution and content of various compounds in the cauliflower samples. Furthermore, the impact of the cooking techniques varied depending on the type of cauliflower.
Article
Food Science & Technology
Ainhoa Navarro-Abril, Javier Saurina, Sonia Sentellas
Summary: This study developed an analytical method for the determination of biogenic amines (BAs) and free amino acids (AAs) in musts, wines, and sparkling wines using liquid chromatography with tandem mass spectrometry. The results showed that high-quality wines generally have lower levels of BAs and free AAs. Differences between grape varieties and quality aspects were utilized to classify the samples with excellent accuracy.
Article
Environmental Sciences
Aina Mir-Cerda, Iris Carretero, Jose Ruben Coves, Alba Pedrouso, Celia Maria Castro-Barros, Teresa Alvarino, Jose Luis Cortina, Javier Saurina, Merce Granados, Sonia Sentellas
Summary: This study focuses on the recovery and purification of polyphenols from the malolactic fermentation lees of Albarino wines. Green liquid extraction using water as a solvent successfully extracted phenolic acids and flavonoids from winery wastes. The resulting extract solution was further treated by microfiltration and ultrafiltration, revealing that malolactic fermentation lees are a valuable source of phenolic compounds.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Biochemistry & Molecular Biology
Aina Mir-Cerda, Merce Granados, Javier Saurina, Sonia Sentellas
Summary: Agri-food industries produce a large amount of waste, which can be effectively reutilized within the circular economy. A study optimized the extraction of phenolic compounds from olive tree leaves using natural deep eutectic solvents (NADES), a more environmentally friendly alternative to conventional solvents. The NADES extraction showed improved efficiency compared to ethanol/water extraction, as confirmed by high-performance liquid chromatography coupled to tandem mass spectrometry (HPLC-MS/MS) analysis. The main polyphenols identified in the NADES extract were Luteolin-7-Oglucoside, Oleuropein, 3-Hydroxytyrosol, Rutin, and Luteolin.
Article
Biochemistry & Molecular Biology
Monica Fernandez-Estelle, Victor Hernandez-Gonzalez, Javier Saurina, Oscar Nunez, Sonia Sentellas
Summary: Honey is appreciated for its nutritional properties and health benefits, including antioxidant, anti-inflammatory, antifungal, and antibacterial activities. The composition of each honey variety, with botanical origin as a distinctive feature, determines these attributes. This study determined the antioxidant capacity, phenolic compound content, and flavonoid content of different honeys, finding that honeydew honeys had higher oxidizable species content and stronger antioxidant capacity. Using classification models, honeydew and blossom honeys were successfully discriminated.
Article
Food Science & Technology
Thom Romers, Javier Saurina, Sonia Sentellas, Oscar Nunez
Summary: In order to prevent tea fraud, a HPLC-UV method was proposed to classify and authenticate tea samples. By measuring the content of polyphenolic and phenolic acid compounds in tea and using principal component analysis and partial least squares-discriminant analysis, tea samples were effectively distinguished from adulterants like chicory. Furthermore, this method could be used to detect and quantify adulteration of different tea varieties, with high accuracy and stability.
Editorial Material
Chemistry, Analytical
Javier Saurina
Article
Biotechnology & Applied Microbiology
Eleonora Oliva, Aina Mir-Cerda, Manuel Sergi, Sonia Sentellas, Javier Saurina
Summary: Polyphenols, natural phytochemicals found in wines, have attracted significant interest in the scientific community due to their health benefits, as well as their role in identifying wine qualities, such as origin and grape variety. This study aims to obtain valuable chemical and oenological information by processing a large amount of data using appropriate chemometric methods. The concentrations of polyphenols in wines and related samples were determined using HPLC-UV-MS/MS, and the resulting data were used for characterization purposes. Principal component analysis revealed discrimination of samples based on variety and quality issues, and classification models were established to assign unknown samples to their respective classes, achieving an excellent classification rate.
FERMENTATION-BASEL
(2023)
Article
Food Science & Technology
Guillem Campmajo, Javier Saurina, Oscar Nunez
Summary: The study evaluated the metabolomic diversity of ten different nut types using non-targeted liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS). A multi-class model with a classification accuracy of 100% was developed using LC-HRMS fingerprints and partial least squares regression-discriminant analysis (PLS-DA). Discriminant compounds were selected based on variable importance in projection (VIP) scores obtained from specific nut type versus other samples models and were annotated/identified using HRMS data. Adulteration of almond-based products with hazelnut or peanut was successfully detected and quantified through a targeted LC-HRMS study using some of the identified markers and partial least squares (PLS) regression.
Review
Food Science & Technology
Sonia Sentellas, Javier Saurina
Summary: Cocoa and its derivative products, particularly chocolate, are highly valued for their qualities and considered as delicacies. However, there is a need for strategies to authenticate their attributes due to the risk of adulteration. Profiling and fingerprinting approaches using analytical techniques such as chromatography and mass spectrometry provide valuable information for authentication purposes. This review discusses the state of the art of cocoa and chocolate authentication, including the pros and cons of different approaches and the relevance of these methods in quality control and sample analysis.
Article
Agriculture, Multidisciplinary
Alexandra Junza, Javier Saurina, Cristina Minguillon, Dolores Barron
Summary: LC-HRMS techniques were used to study metabolomic profile changes in milk from cows with mastitis and treated with enrofloxacin. Principal component analysis was applied to identify changes in compounds unrelated to enrofloxacin. The majority of compounds affected by the pharmacological treatment and/or pathological status were amino acids and peptides. Potential biomarkers for disease or treatment were detected, and the impact of thermal processes on the identified metabolites was also considered.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2022)
Review
Chemistry, Analytical
Claudia Campanale, Silvia Galafassi, Francesca Di Pippo, Iulian Pojar, Carmine Massarelli, Vito Felice Uricchio
Summary: Biodegradable plastic mulches (BDMs) have the potential to be an eco-friendly alternative to conventional plastic mulches in agriculture. However, their long-term impacts on soil ecosystems are still uncertain, and further research is needed. Incorporating BDMs into the soil may stimulate microbial activity, but there is also a risk of incomplete degradation and release of residual microplastics and additives.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Xuechi Yin, Sijie Liu, Deepak Kukkar, Jianlong Wang, Daohong Zhang, Ki-Hyun Kim
Summary: The lateral flow immunoassay strip is a classic and dominant tool in point-of-care detection, known for its portability and simplicity. However, current colored nanomaterials used as signal labels in LFIA have limited sensing potential, leading to the recognition of composite nanoparticles as alternatives to enhance sensitivity, signal readout diversity, anti-matrix interference, and cost-effectiveness.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Yaxin Cao, Longyi Shao, Timothy P. Jones, Wenjing Deng, M. Santosh, Pengju Liu, Cheng-Xue Yang, Yaowei Li, Daizhou Zhang, Kelly Berube
Summary: The toxicity of fibrous particles in ambient air can be higher than other types of particles. Microfibers can be organic or inorganic and their presence in the atmosphere as a result of human activity raises concerns for environmental and public health. Accurate collection, identification, and understanding of the health hazards associated with these fibers are crucial for mitigation strategies and protection of public health.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Chenchen Xie, Chen Meng, Huilin Liu, Baoguo Sun
Summary: The development of food hazard factor (FHF) detection has been moving towards on-site inspection and mobile law enforcement, calling for simple, fast, and affordable analysis technology to ensure food safety and quality. This review comprehensively summarizes the progress in research on smartphone-assisted MIP optosensors, focusing on the key issues of accuracy and sensitivity.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Guillem Peris-Pastor, Cristian Azorin, Jose Grau, Juan L. Benede, Alberto Chisvert
Summary: Green Analytical Chemistry plays an important role in every stage of method development, including sample preparation. Extraction techniques have evolved from conventional ones to a variety of miniaturized techniques in order to enhance analytical performance and ensure safety for operators and the environment. Green metric tools are used to evaluate the impact and sustainability of methods, with AGREEprep selected as the most suitable tool for evaluating published methods in various applications. The miniaturization of sample preparation strategies has led to the use of less and safer solvents, reduced waste generation and energy consumption, and improved portability and throughput.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Helena Hruskova, Roman Reminek, Frantisek Foret
Summary: This review article summarizes the progress and recent studies in offline electromigration preparative techniques between 2018 and 2023. It covers various techniques including electrophoresis, free-flow electrophoresis, isoelectric focusing, and isotachophoresis, providing theoretical aspects, trends, and solutions to existing limitations in each technique.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Mayank Garg, Nicole Pamme
Summary: This review focuses on the removal strategies of templates from molecularly imprinted polymers (MIPs) used in diagnostic biosensors. Chemical-based and electrochemical-based template extraction approaches are summarized and evaluated, providing guidance for researchers in the fields of analytical chemistry, diagnostics, and materials science for the design of MIP-based sensors.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Ivneet Banga, Anirban Paul, Nathan Kodjo Mintah Churcher, Ruchita Mahesh Kumar, Sriram Muthukumar, Shalini Prasad
Summary: Breathomics is an emerging field that focuses on analyzing exhaled breath to diagnose and monitor respiratory diseases. Electrochemical sensors, with their high sensitivity, selectivity, and low cost, play a significant role in breathomics and can be integrated into portable devices for point-of-care diagnosis.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Fabjola Bilo, Paola Cirelli, Laura Borgese
Summary: This review explores the application of X-ray fluorescence (XRF) spectrometry for elemental analysis of particulate matter (PM) in air quality monitoring. It discusses the fundamentals of XRF, experimental configurations, PM sampling devices and substrate, sample preparation strategies, qualitative and quantitative analysis, as well as the challenges faced by XRF in becoming a reliable analytical technique for PM analysis.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Hakim Faraji
Summary: The dispersive liquid-liquid microextraction (DLLME) technique is widely popular in analytical chemistry due to its high efficiency, cost-effectiveness, and simplicity. Recent advancements have addressed the limitations of DLLME, incorporating greener solvents, innovative dispersion strategies, and simplified procedures. These changes have made DLLME a more sustainable and efficient technique.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Sherin F. Hammad, Inas A. Abdallah, Alaa Bedair, Reda M. Abdelhameed, Marcello Locatelli, Fotouh R. Mansour
Summary: Carbon nanomaterials (CNMs) have excellent capabilities in terms of adsorption, enhanced oxidation, and photocatalysis, attracting widespread attention in different fields. Metal-organic frameworks (MOFs) have been widely used due to their regular network structure, porous nature, and large specific surface area. However, the instability of MOFs in aqueous solutions limits their applications in chemical sensing. Recent studies have focused on increasing the stability of MOFs in water-based matrices through chemical modifications using CNMs.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Alexandra Pape, Oliver J. Schmitz
Summary: Low temperature plasmas based on dielectric barrier discharges have emerged as a recent development in ion source research. These ion sources are applicable to heat-sensitive analytes and can ionize a wide range of compounds. Despite intensive research on important parameters such as configuration, shape, size, and materials in the past two decades, the actual ionization mechanism for all plasma gases has not been fully elucidated. This review provides an overview of atmospheric pressure ion sources, with a focus on plasma and dielectric barrier discharge based ion sources, summarizing the reactions occurring in the plasma and discussing the applications developed by different research groups.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Hai Xiong, Fengli Li, Linyu Zeng, Qiyu Lei
Summary: This review provides an overview of the emerging trends in the use of functional COF nanomaterials as biosensors for DNA/RNA detection. It summarizes the construction of DNA/RNA hybridized COF nanoprobes and their potential applications in bioanalyte detection, biosensing, biomarker imaging, and clinical biomedicine.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Bing Yan
Summary: This article summarizes the recent progress in logic gate computing and operation based on multiple luminescence response and chemical sensing for lanthanide functionalized MOF hybrid systems. The article first describes multi-color luminescence and the subsequent multiple luminescence response. The basic concept of logic gate operation and the advantages of lanthanide-based hybrid materials are then introduced. Reports on logic gate operation using pure lanthanide MOFs are provided, followed by a detailed summary of logic gate operations using lanthanide functionalized MOF hybrid materials. Additionally, the article discusses the practical luminescent detection of analytes by correlating the luminescence responsive signals and the concentration of different analytes. Finally, the article concludes with a prospect for this topic.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)
Review
Chemistry, Analytical
Brij Mohan, Gurjaspreet Singh, Rakesh Kumar Gupta, Pawan Kumar Sharma, Alexander A. Solovev, Armando J. L. Pombeiro, Peng Ren
Summary: Porous materials, particularly hydrogen-bonded organic frameworks (HOFs), have gained significant attention due to their versatile applications and unique properties such as well-defined crystalline structure and easy regeneration processes. This article provides a comprehensive overview of HOFs, including synthesis methods, hydrogen bonding motifs, recent advancements, and potential applications, offering valuable guidance for further exploration in this dynamic field.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2024)