Article
Chemistry, Analytical
Gloria Rovira, Itziar Ruisanchez, M. Pilar Callao
Summary: This study proposes a standardization strategy for dealing with seasonal variability in the authentication of extra virgin oils from the PDOs Les Garrigues and Siurana. A PLS-DA two-class model was developed and validated using fluorescence spectroscopy measurements. The results show that standardization is a good strategy for extending the usefulness of the models when predicting samples subject to seasonal variability.
MICROCHEMICAL JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Elisabeta-Irina Geana, Corina Teodora Ciucure, Irina Mirela Apetrei, Maria Lisa Clodoveo, Constantin Apetrei
Summary: This study presents a methodology for distinguishing olive oil and extra-virgin olive oil from other vegetable oils using targeted and untargeted high-resolution mass spectrometry (HRMS) analysis of phenolic and triterpenic compounds, coupled with multivariate statistical analysis. Certain phenolic compounds, coumaric acids, apigenin, pinocembrin, hydroxytyrosol, and maslinic acid, were found to be potential biomarkers of olive oil, with higher levels present in extra-virgin olive oil compared to other vegetable oils. Principal component analysis (PCA) and heat map profiles based on the HRMS data were able to discriminate olive oils from other vegetable oils. This methodology could be applied for authenticity and classification purposes, considering factors such as variety, geographical origin, and adulteration practices.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Analytical
Itziar Ruisanchez, Gloria Rovira, M. Pilar Callao
Summary: This paper proposes a strategy to assess the performance of a multivariate screening method for semi quantitative purposes. The adulteration of olive oil with sunflower oil was considered as a case study. The study involves building a proper screening methodology, calculating quality parameters and semi-quantitative parameters, and analyzing the performance characteristics of the classification models.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Analytical
Somaye Vali Zade, Hamid Abdollahi
Summary: Pattern recognition models establish the relationship between variables and object classes. Different algorithms are needed to account for variations in measured variables, object patterns, and relationship models. MCR-ALS method, which incorporates physical and chemical information, simplifies result interpretation. The efficiency of MCR-DA and PLS-DA methods were evaluated and compared for discriminating olive oil samples.
MICROCHEMICAL JOURNAL
(2023)
Review
Food Science & Technology
Eleni Kakouri, Panagiota-Kyriaki Revelou, Charalabos Kanakis, Dimitra Daferera, Christos S. Pappas, Petros A. Tarantilis
Summary: Olive oil, with its high nutritional value, is prone to adulteration for economic reasons, raising concerns about authenticity. Various analytical techniques have been developed to detect and identify adulterated olive oils, ensuring their quality and authenticity. Infrared and Raman spectroscopy are discussed as candidate tools for examining authenticity, along with the use of volatile fractions as markers to distinguish between different varieties and adulterated oils.
Article
Chemistry, Applied
Rosa Maria Alonso-Salces, Luis Angel Berrueta, Beatriz Quintanilla-Casas, Stefania Vichi, Alba Tres, Maria Isabel Collado, Carlos Asensio-Regalado, Gabriela Elena Viacava, Aimara Ayelen Poliero, Enrico Valli, Alessandra Bendini, Tullia Gallina Toschi, Jose Manuel Martinez-Rivas, Wenceslao Moreda, Blanca Gallo
Summary: This study utilized H-1 NMR fingerprinting of edible oils and multivariate classification and regression models to accurately identify olive oils and their blends with other vegetable oils, providing support for regulations and control bodies. The models showed stable binary classification for olive oil type and precise determination of percentage of vegetable oil in the mixture. The approach demonstrated satisfactory performance with blind samples, confirming its potential for authenticity and traceability assurance.
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
Jokin Ezenarro, Angel Garcia-Pizarro, Olga Busto, Anna de Juan, Ricard Boque
Summary: This study proposes a methodology based on a color histogram-based analytical system to evaluate the ripeness of olives. Digital images can be used to analyze the color information of olives objectively and accurately, allowing for the prediction of their maturity index.
ANALYTICA CHIMICA ACTA
(2023)
Article
Food Science & Technology
Christian H. Perez-Beltran, Ana M. Jimenez-Carvelo, Sandra Martin-Torres, Fidel Ortega-Gavilan, Luis Cuadros-Rodriguez
Summary: This research aims to develop multivariate models independent of both instrument state and signal acquisition time for the field of food authentication/food quality. By using instrument-agnostic methods, multivariate classification models can be built and transferred among different laboratories.
Article
Biochemical Research Methods
Fateme Tajabadi, Majid Ghorbani-Nohooji, Ahmad Gholami, Mona Ghiasi Yekta, Seyed Vahid Ghasemi, Farzaneh Nabati, Seyede Hadis Sadri
Summary: The conventional method of fatty acid analysis using gas chromatography (GC) with polar capillary columns is not ideal due to high cost and sensitivity to water and oxygen. This study developed a method using GC/mass spectrometry (MS) with a nonpolar column and chemometric methods to accurately identify and quantify fatty acids. The fatty acid profiles of various seed oils were successfully identified and the resolution of overlapping peaks led to an increase in the total percentages of identified fatty acids. The obtained percentages of saturated and unsaturated fatty acids were confirmed by reference reports.
BIOMEDICAL CHROMATOGRAPHY
(2023)
Article
Biochemical Research Methods
Xiaqiong Fan, Pan Ma, Minghui Hou, Yiping Ni, Zhi Fang, Hongmei Lu, Zhimin Zhang
Summary: Gas chromatography-mass spectrometry (GC-MS) is a major platform for analyzing volatile compounds in complex samples. DeepResolution, a method proposed in this study, utilizes deep learning to extract compound information from GC-MS data, showing superior compound identification capability and better quantitative performances. The method is automatic and adaptive, allowing for efficient resolution of overlapped components.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Article
Engineering, Multidisciplinary
Mohamed W. Abo El-Soud, Tarek Gaber, Fayez AlFayez, Mohamed Meselhy Eltoukhy
Summary: Smartphone users currently authenticate using mechanisms like passwords or security patterns, which are vulnerable to attacks. This study proposes an implicit authentication method based on user behavior (such as touch behavior) with feature selection to enhance performance, achieving high accuracy and low error rates in experiments.
ALEXANDRIA ENGINEERING JOURNAL
(2021)
Article
Chemistry, Analytical
Zuzanna Malyjurek, Dalene de Beer, Helene van Schoor, Janine Colling, Elizabeth Joubert, Beata Walczak
Summary: This study analyzes three species of honeybush tea using hyperspectral imaging and proposes a two-step authentication method to improve accuracy and effectiveness. The results show significant improvement compared to individual class-models.
ANALYTICA CHIMICA ACTA
(2022)
Article
Environmental Sciences
Yihui Ge, Zhenchun Yang, Yan Lin, Philip K. Hopke, Albert A. Presto, Meng Wang, David Q. Rich, Junfeng Zhang
Summary: This study developed and evaluated two approaches to enhance the extrapolating ability of random forest models in areas with sparse monitoring data. By incorporating low-cost sensor data and using the regression-enhanced random forest method, the models showed improved accuracy and predictive capabilities.
ATMOSPHERIC ENVIRONMENT
(2023)
Article
Agronomy
Ayse Yavuz Ozalp, Halil Akinci
Summary: This research uses the random forest algorithm to create a land suitability map for olive cultivation in Artvin Province, Turkey. By considering 10 parameters including temperature, precipitation, slope, aspect, land use capability, soil properties, solar radiation, and land cover, an area of 53,994.57 hectares suitable for olive production was identified. The validation of the model indicates that the random forest method can successfully determine suitable lands for olive cultivation.
Article
Food Science & Technology
Christian H. Perez-Beltran, Ana M. Jimenez-Carvelo, Anabel Torrente-Lopez, Natalia A. Navas, Luis Cuadros-Rodriguez
Summary: This review explores the current status and historical development of quality by design and process analytical technology, discusses the application of multivariate tools in the food industry, and offers future perspectives on the topic.
FOOD ENGINEERING REVIEWS
(2023)
Article
Chemistry, Physical
M. Reale, A. Sciortino, C. M. Cruz, M. Cannas, E. Macoas, A. G. Campana, F. Messina
Summary: By comparing two distorted nanographenes, we find interesting photophysical features, including triplet-triplet annihilation delayed fluorescence, ultra-slow excited state dynamics, and excitation-wavelength memory effects. These behaviors, deviating from typical optical dyes, are believed to be caused by the distortion of the carbon network due to a non-hexagonal ring and a helicene unit.
Article
Chemistry, Applied
Fidel Ortega-Gavilan, Simone Squara, Chiara Cordero, Luis Cuadros-Rodriguez, Ma Gracia Bagur-Gonzalez
Summary: This study used fingerprint analysis to evaluate the differences among hazelnut samples from different regions and developed classification models to distinguish the samples. The results showed that the differences in the instrument-agnostic fingerprint were related to the country of origin, growing region, storage time, and conditions of the samples.
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
(2023)
Article
Chemistry, Physical
Marco Reale, Alice Sciortino, Marco Cannas, Ermelinda Macoas, Arthur H. G. David, Carlos M. Cruz, Araceli G. Campana, Fabrizio Messina
Summary: Nanographenes (NGs) have unique properties that combine the characteristics of graphene and molecular features, such as bright visible photoluminescence. However, the heterogeneity of most NGs hinders our understanding of their fundamental properties. This study investigates the optical response of three curved hexa-peri-hexabenzocoronene (HBC) derivatives obtained by atomically precise synthesis routes, allowing for a direct comparison of their spectroscopic features and the role played by different edge chemistry.
Article
Materials Science, Multidisciplinary
Juan-Ramon Jimenez, Sandra Miguez-Lago, Maxime Poncet, Yating Ye, Cesar Lopez Ruiz, Carlos M. M. Cruz, Araceli G. G. Campana, Enrique Colacio, Claude Piguet, Juan Manuel Herrera
Summary: In this study, chiral luminescent (CrN6)-N-III complex doped silica nanoparticles (Cr@SiO(2)NPs) and highly luminescent Eu(tta)(3)(phen-Si) post-functionalized silica nanoparticles (EuCr@SiO(2)NPs) were synthesized and characterized. The hybrid materials displayed efficient and bright long-lived dual simultaneous non-polarized red and polarized NIR-I luminescence. The encapsulated Cr-III complex showed enhanced CPL brightness compared to the non-encapsulated complex.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Food Science & Technology
Sandra Martin-Torres, Antonio Gonzalez-Casado, Miriam Medina-Garcia, Maria Soledad Medina-Vazquez, Luis Cuadros-Rodriguez
Summary: The stability of highly consumed vegetable refined oils after discontinuous frying of potatoes was compared. Both those vegetable oils containing additives and those that did not were considered. Chemical changes caused over the frying time were monitored and multivariate modelling of the data was carried out. A new gas chromatographic-mass spectroscopy method was intended to record a fingerprint of both polar and non-polar compound fractions, and the results obtained from both approaches were verified to be statistically similar.
Article
Food Science & Technology
Ana M. Jimenez-Carvelo, Pengfei Li, Sara W. Erasmus, Hui Wang, Saskia M. van Ruth
Summary: One of the key components of food traceability systems is the unique identification and recording of products and batches along the supply chain, which can provide valuable information on emerging food frauds. The scanning of codes on food packaging by users generates spatial-temporal datasets that, when analyzed using artificial intelligence, can enhance current food fraud detection approaches. Spatial-temporal patterns of scanned codes can uncover emerging anomalies in supply chains caused by food fraud, and similar approaches from other fields have been discussed as potential transferable solutions for early warning of emerging food frauds in this paper.
Article
Chemistry, Multidisciplinary
Juan P. Mora-Fuentes, Marcos D. Codesal, Marco Reale, Carlos M. Cruz, Vicente G. Jimenez, Alice Sciortino, Marco Cannas, Fabrizio Messina, Victor Blanco, Araceli G. Campana
Summary: We synthesized and characterized a new type of nanohoop that contains a curved heptagon-containing pi-extended polycyclic aromatic hydrocarbon (PAH) unit. This nanohoop showed strong binding abilities with curved pi-systems such as fullerenes C-60 and C-70. The host-guest complexes formed between the nanohoop and fullerenes displayed rapid charge separation upon photoexcitation, indicating promising electron-donor properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Food Science & Technology
Alejandra Arroyo-Cerezo, Ana M. Jimenez-Carvelo, Antonio Gonzalez-Casado, Itziar Ruisanchez, Luis Cuadros-Rodriguez
Summary: The key points for food authentication include verifying labeling, checking nature, and detecting fraud. Portable spatially offset Raman spectroscopy (SORS) allows rapid and non-invasive analysis of packaged foods, making it suitable for in-situ controls on grocery shelves. This study focuses on authenticating plastic-packaged sliced cheeses based on the animal origin of the milk used. Analytical methods using spectroscopy and chemometrics showed high accuracy in distinguishing milk origin and predicting nutrient content. These findings demonstrate the potential of SORS for rapid and non-invasive food authentication.
Article
Biochemical Research Methods
Ana M. Jimenez-Carvelo, Rosalia Lopez-Ruiz, Roberto Romero-Gonzalez, Antonia Garrido-Frenich
Summary: The study shows that employing an experimental design tool facilitates rapid optimization of critical parameters in mass spectrometry. It also highlights the disadvantage of using commercial databases in compound identification and the superiority of home-made databases.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Review
Chemistry, Analytical
Rosalia Lopez-Ruiz, Ana M. Jimenez-Carvelo, Luis Cuadros-Rodriguez
Summary: Phospholipids are essential components of cell membranes and play various roles in food. There is limited research on their analysis and potential for assessing food quality and authenticity.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2023)
Article
Agriculture, Multidisciplinary
Miriam Medina-Garcia, Ana M. Jimenez-Carvelo, Maria G. Bagur-Gonzalez, Antonio Gonzalez-Casado
Summary: A new multivariate analytical method was developed to authenticate the PDO quality seal of tigernut samples, achieving 100% accuracy using fingerprinting methodology and chemometric tools. The study demonstrates the effectiveness of tigernut fat fraction in verifying the PDO quality seal.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2023)
Article
Chemistry, Organic
Carlos M. Cruz, Araceli G. Campana
Summary: The combination of different distortion motifs in nanographenes and polycyclic conjugated hydrocarbons has been the focus of significant attention. Research groups are developing methods for preparing graphene or fullerene fragments and new carbon allotropes to understand the structure-property relationships in these systems.
Article
Chemistry, Analytical
Qian Wu, Li Tian, Xiangyu Shan, Huiling Li, Chao Li, Juan Lu
Summary: A novel ECL sensor was developed by modifying Fe3CuO4-Ru(bpy)3+ and GO-CdS@ZnS on the electrode for the detection of permethrin. The sensor exhibited high sensitivity and a wide detection range.
Article
Chemistry, Analytical
Tingting Gong, Lei Liao, Bingying Jiang, Ruo Yuan, Yun Xiang
Summary: In this study, a fluorescent biosensing system for high sensitivity detection of MT was established using a new Ag+-stabilized DNA triplex probe (Ag+-SDTP) combined with catalytic hairpin assembly (CHA) and CRISPR/Cas12a signal enhancements. The sensing method is able to selectively detect MT from other non-specific molecules and can achieve low level detection of MT in diluted human serums, demonstrating its potential for monitoring disease-specific MT biomarker at trace levels.
Article
Chemistry, Analytical
Estrella Sanz Rodriguez, Kyra Wood, Paul R. Haddad, Brett Paull
Summary: This study presents a simple, rapid, and reliable method for determining boron in aqueous solutions using suppressed ion chromatography coupled to electrospray ionisation-triple quadrupole mass spectrometry. The method achieved a low limit of detection and demonstrated excellent analytical performance.
Article
Chemistry, Analytical
Aline Cournut, Paul Moustiez, Yannick Coffinier, Christine Enjalbal, Claudia Bich
Summary: Alzheimer's disease is a major cause of senile dementia and is characterized by the aggregation of neurofibrillary tangles and amyloid plaques in the brain. The A beta 1-42 peptide is considered the primary cause of neurotoxicity due to its insolubility and subsequent aggregation. A beta 1-42 and A beta 1-40 have been identified as relevant biomarkers for AD diagnosis, and SurfaceAssisted Laser Desorption/Ionization Mass Spectrometry (SALDI-MS) was used to monitor the A beta 1-42/A beta 1-40 ratio without prior sample treatment.
Article
Chemistry, Analytical
Dotse Selali Chormey, Buse Tugba Zaman, Tulay Borahan Kustanto, Sezin Erarpat Bodur, Suleyman Bodur, Elif Ozturk Er, Sezgin Bakirdere
Summary: This review provides an overview of the harmful effects of endocrine disrupting chemicals (EDCs) on human health and introduces the methods for analyzing EDCs. Recent research has focused on using green chemicals, such as deep eutectic solvents (DESs), for microextraction to ensure environmental safety.
Article
Chemistry, Analytical
Yan Zhang, Renfeng Xu, Jingjing Wu, Zhenghong Zhang, Yuhuang Wang, Hongqin Yang, Sheng Zhang
Summary: This study visualized the pore-like structures in prostate cancer cell membranes after treatment with the anticancer drug paclitaxel, demonstrating its mechanism of action related to oxidative damage.
Article
Chemistry, Analytical
Chihong Ma, Qin Zhou, Jinjin Shi, Hua Gao, Di Huang, Huimin Xue, Han Wang, Zhenzhong Zhang, Sen Yang, Junli Zhang, Kaixiang Zhang
Summary: We developed a CRISPR-empowered electrochemical biosensor, named PER-E-CRISPR, for amplification-free and sensitive detection of miR-21. The biosensor combines the advantages of CRISPR/Cas13a and primer exchange reaction (PER) for target amplification. Under optimized conditions, the PER-E-CRISPR assay exhibits a linear range from 10-13 to 10-7 M and a limit of detection of 30.2 fM. The biosensor shows excellent performance in actual plasma, indicating promising prospects for miRNA detection in molecular diagnosis.
Article
Chemistry, Analytical
Gang Liang, Jie Zhao, Yufei Gao, Tao Xie, Jianhui Zhen, Ligang Pan, Wenwen Gong
Summary: Molecular docking (MD) analysis is widely used for studying the interaction between aptamers and small molecules. This study established steady-state aptamers of tertiary structures (SATS) using specific aptamers of tetracycline antibiotics as docking models. Molecular docking results revealed multiple binding sites in the SATS of aptamers, with significant variations in binding free energy (BFE) and docking score (DS). The study also proposed a method for MD analysis based on SATS, providing insights into binding mode and predicting binding sites.
Article
Chemistry, Analytical
Yixuan Xu, Changchang Teng, Huiping Dang, Dalong Yin, Lifeng Yan
Summary: Stable organic radical molecules with high NIR fluorescence quantum efficiency have been synthesized and encapsulated into nanoparticles, which show great potential for both photodynamic therapy (PDT) and photothermal therapy (PTT) of tumors.
Article
Chemistry, Analytical
Yu Su, Dandan Yang, Yanjie Wang, Jie Ding, Lan Ding, Daqian Song
Summary: In this study, a highly selective molecularly imprinted polymer Cu-MIPs@CS was designed and synthesized for bisphenol A (BPA). Cu-MIPs@CS showed significantly enhanced imprinting factor and selective factor towards BPA compared to MIPs@CS. It also exhibited superior discrimination ability between BPA and its structural analogue. Additionally, Cu-MIPs@CS were successfully applied as a solid phase extraction adsorbent for the determination of BPA in drinking water samples.
Article
Chemistry, Analytical
Yi Qiao, Qiongdan Zhang, Yukun He, Tianguang Cheng, Jing Tu
Summary: Single cell heterogeneity plays an important role in many biological phenomena, and distinguishing cells with specific mutations is beneficial for clinical diagnosis and drug screening. This study introduces a gel plate platform that can distinguish cell types based on their phenotypes, with low equipment requirement. The gel platform has potential in point-of-care circumstances and single-cell stimulation responses that prioritize efficiency and simplicity.
Article
Chemistry, Analytical
Chengke Wang, Shuyang Sun, Ping Wang, Huawei Zhao, Wenling Li
Summary: The food safety of aquatic products is a global concern. Nanotechnology-based analyses have advantages in the detection of bacteria, metal ions, and small molecule contaminants. This review summarizes the recent advances in biosensing strategies for aquatic products and highlights the application of nanomaterials, lateral flow-based biosensors, surface-enhanced Raman scattering, microfluidic chips, and molecular imprinting technologies.
Article
Chemistry, Analytical
Liping Zhu, Zeng Tang, Xuemei Zhang, Li Zhu, Tian Meng, Linying Yu, Ting Xiao, Shasha Lu, Xiaoli Xiong, Xiurong Yang
Summary: A sensitive off-on electrochemiluminescence DNA sensor was developed using Exo III-assisted cascade amplification system. The sensor achieved high selectivity and ultra-high sensitivity in detecting target DNA by utilizing ECL and SPR effects. This study provides a new perspective for designing highly sensitive and programmable ECL biosensors.
Article
Chemistry, Analytical
Tong Li, Mengxu Sun, Suping Xia, Ting Huang, Rong-Tian Li, Chunrong Li, Zong Dai, Jin-Xiang Chen, Jun Chen, Nuan Jia
Summary: Here, we developed a binary system based on DNA tetrahedron and fluorogenic RNA aptamers for highly specific and label-free mRNA imaging in living cells. This system achieved high specificity label-free detection of nucleic acids with a detection limit of 1.34 nM. The method has potential applications in early disease diagnosis and new drug development.
Article
Chemistry, Analytical
Yao Zhao, Shu Zhang, Wang Yao, Yuxuan Zhu, Jing Qian, Juan Yang, Nianjun Yang
Summary: A new hierarchical nanostructured composite with high conductivity and catalytic activity is synthesized. The sensor exhibits significant catalytic effect and high sensitivity for monitoring the environmental endocrine disruptor bisphenol A (BPA).