Article
Biochemical Research Methods
Joon-Yong Lee, Aivett Bilbao, Christopher R. Conant, Kent J. Bloodsworth, Daniel J. Orton, Mowei Zhou, Jesse W. Wilson, Xueyun Zheng, Ian K. Webb, Ailin Li, Kim K. Hixson, John C. Fjeldsted, Yehia M. Ibrahim, Samuel H. Payne, Christer Jansson, Richard D. Smith, Thomas O. Metz
Summary: AutoCCS is an open-source software for rapid determination of CCS values from IMS-MS measurements, demonstrating accuracy and reproducibility for standard and unknown analyte ions under various conditions.
Article
Chemistry, Analytical
Anais C. George, Isabelle Schmitz-Afonso, Vincent Marie, Benoit Colsch, Francois Fenaille, Carlos Afonso, Corinne Loutelier-Bourhis
Summary: Collision cross sections (CCS) are important molecular descriptors in metabolomics and lipidomics analyses. Ion mobility spectrometry (IMS) can determine CCS, but different techniques require calibration and lead to varying results. This study evaluates 11 different CCS calibrants and proposes a method to recalibrate CCS values using Tune Mix solution for more accurate and comparable results.
ANALYTICA CHIMICA ACTA
(2022)
Article
Agriculture, Multidisciplinary
Xue-Chao Song, Elena Canellas, Nicola Dreolin, Cristina Nerin, Jeff Goshawk
Summary: The study characterized and quantified phenolic compounds in bearberry leaves using IMS and a mass spectrometer, identifying 88 compounds including arbutin, tannins, flavanols, and flavonols. Arbutin, 1,2,3,4,6-pentagalloylglucose, and quercetin were the most abundant phenolic components in the leaves.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Agriculture, Multidisciplinary
Serena Indelicato, Karim Houmanat, David Bongiorno, Assia Ejjilani, Lahcen Hssaini, Rachid Razouk, Jamal Charafi, Said Ennahli, Hafida Hanine
Summary: This study aimed to investigate the phenolic components of freeze-dried and reconstituted pomegranate juices from 13 genotypes grown in Morocco. The analysis identified and quantified twenty-seven bio-phenols belonging to four different classes. The freeze-drying and reconstitution processes introduced some degradation of the polyphenol content, but the overall polyphenolic pattern remained stable within the same cultivar.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2023)
Article
Chemistry, Analytical
Claudia Bressan, Alberto Celma, Elida Alechaga, Nuria Monfort, Rosa Ventura, Juan Vicente Sancho
Summary: The collision cross section (CCS) value of 103 steroids was determined by LC-TWIMS. High reproducibility was observed in urine and standard solutions. CCS determination in matrix was in accordance with the CCS measured in standards solution. CCS values were directly correlated with the ion mass and allowed differentiating between glucuronides, sulfates, and free steroids. Specific information was obtained for phase II metabolites, which could be useful in the structural elucidation of new steroid metabolites in the anti-doping field. The potential of IMS reducing interferences from the sample matrix was also tested.
ANALYTICA CHIMICA ACTA
(2023)
Review
Biochemistry & Molecular Biology
Xiaohang Li, Hongda Wang, Meiting Jiang, Mengxiang Ding, Xiaoyan Xu, Bei Xu, Yadan Zou, Yuetong Yu, Wenzhi Yang
Summary: Ion mobility-mass spectrometry (IM-MS) is a powerful separation technique that enhances the separation and characterization of complex components. The integration of machine learning (ML) with IM-MS overcomes the lack of reference standards and helps in rapid, comprehensive, and accurate characterization of chemical components.
Article
Chemistry, Multidisciplinary
Yao Qian, Xiangyu Guo, Yunfang Wang, Zheng Ouyang, Xiaoxiao Ma
Summary: A mobility-modulated sequential dissociation (MMSD) strategy was developed for mass spectrometry imaging, enabling spatial lipidomics capable of multiplexed MS/MS imaging of 24 structurally distinct lipids. The method revealed a potential biomarker in a human hepatocellular carcinoma tissue.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Food Science & Technology
Rodrigo Hoff, Heitor Daguer, Carolina Turnes Pasini Deolindo, Ana Paula Zapelini de Melo, Jaqueline Durigon
Summary: Non-conventional edible plants in Brazil, such as Ora-pro-n'obis and taruma fruits, are rich in phenolic compounds and other bioactive substances. Increased knowledge about these plants can enhance their utilization, cultivation, and propagation.
FOOD RESEARCH INTERNATIONAL
(2022)
Article
Chemistry, Analytical
Jia-Hui Wen, An-Qi Guo, Meng-Ning Li, Hua Yang
Summary: In this study, we developed a structural similarity networking assisted collision cross-section prediction interval filtering strategy for ion mobility coupled with mass spectrometry (IM-MS) analysis of complex matrix. This strategy utilizes automatic regression prediction statistics and filtering intervals to filter potential compounds and characterize their chemical structures. Experimental validation with Ginkgo biloba extract and dripping pills showed that this strategy performed better than other similar strategies, enabling efficient analysis of complex IM-MS data and comprehensive chemical profiling of complex matrix.
ANALYTICA CHIMICA ACTA
(2023)
Article
Agriculture, Multidisciplinary
Maria Mar Aparicio-Muriana, Renato Bruni, Francisco J. Lara, Monsalud del Olmo-Iruela, Maykel Hernandez-Mesa, Ana M. Garcia-Campana, Chiara Dall'Asta, Laura Righetti
Summary: The increased consumption of blue-green algae (BGA)-based dietary supplements has raised concerns about food safety due to cyanotoxin presence. A study employed ultrahigh-performance liquid chromatography coupled to traveling wave ion mobility spectrometry/quadrupole time-of-flight mass spectrometry (UHPLC-TWIMS-QTOF) to establish a comprehensive database for phycotoxins. Cyanotoxins were confidently identified in commercial BGA dietary supplements based on retention time, m/z, and collision cross section values.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemical Research Methods
Valentina Calabrese, Isabelle Schmitz-Afonso, Candice Prevost, Carlos Afonso, Abdelhakim Elomri
Summary: This study conducted a large-scale analysis of metabolites in different organs of the Gabonese plant Zhanthoxylum heitzii using mass spectrometry. The complementarity of collision cross section (CCS) measurements and calculations was demonstrated for metabolite annotation and isomer identification. The results highlight the potential of modern mass spectrometry strategies in the identification of medicinal plant phytochemical components.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Review
Chemistry, Analytical
Daniel G. Delafield, Gaoyuan Lu, Cameron J. Kaminsky, Lingjun Li
Summary: Mass spectrometry-based biomolecular analyses have become popular in research settings. Gas phase ion separation techniques provide a fourth dimension of analysis, enabling rapid characterization and high throughput profiling. This review highlights the latest developments and applications of high-end ion-mobility enabled instruments and their advantages for biomolecular research.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Chih-Hsiang Chang, Darien Yeung, Victor Spicer, Kosuke Ogata, Oleg Krokhin, Yasushi Ishihama
Summary: The study investigates the impact of peptide amino acid sequence on collision cross section values (CCS); ion mobility is mainly affected by the peptide's ability to solvate positively charged sites; the positioning of amino acid residues, as well as helical propensity and hydrophobicity, play important roles in the formation of extended structures.
JOURNAL OF PROTEOME RESEARCH
(2021)
Article
Chemistry, Analytical
Ludwig R. Sinn, Sven H. Giese, Marchel Stuiver, Juri Rappsilber
Summary: Ion-mobility spectrometry has the potential to solve analytically challenging research questions by adding an extra separation dimension to liquid chromatography-mass spectrometry. By using machine learning, the understanding of field asymmetric waveform ion-mobility spectrometry for the analysis of cross-linked peptides has been deepened and ideal compensation voltages correlating with chromatography fraction number have been identified.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Brandon T. Ruotolo
Summary: Recent advancements have made it possible to comprehensively understand protein structure, oligomeric state, sequence, and modification status, providing new possibilities for treating human diseases. Mass spectrometry (MS) tools, especially those associated with ion mobility (IM) separation, have played a crucial role in this progress. However, the application of collision cross section (CCS) values in native proteomics still has limitations.
JOURNAL OF PROTEOME RESEARCH
(2022)
Article
Food Science & Technology
Maria Ramirez-Ambrosi, Diana M. Lopez-Marquez, Beatriz Abad-Garcia, Enrique Dapena, Luis A. Berrueta, Blanca Gallo
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2015)
Article
Food Science & Technology
Z. Rasines-Perea, N. Prieto-Perea, M. Romera-Fernandez, L. A. Berrueta, B. Gallo
EUROPEAN FOOD RESEARCH AND TECHNOLOGY
(2015)
Article
Biochemical Research Methods
Gabriela E. Viacava, Sara I. Roura, Luis A. Berrueta, Carmen Iriondo, Blanca Gallo, Rosa M. Alonso-Salces
JOURNAL OF MASS SPECTROMETRY
(2017)
Article
Biochemistry & Molecular Biology
Cindy Quaglieri, Noelia Prieto-Perea, Luis Angel Berrueta, Blanca Gallo, Zurine Rasines-Perea, Michael Jourdes, Pierre-Louis Teissedre
Article
Chemistry, Analytical
Cristina Garcia-Florentino, Maite Maguregui, Miriam Romera-Fernandez, Ignasi Queralt, Eva Margui, Juan Manuel Madariaga
ANALYTICAL CHEMISTRY
(2018)
Article
Chemistry, Analytical
Luis A. Berrueta, Andrea Sasia-Arriba, Marcos Minarro, Maria J. Anton, Rosa M. Alonso-Salces, Diego Micheletti, Blanca Gallo, Enrique Dapena
Article
Biochemical Research Methods
Thiago Wolff, Luis A. Berrueta, Ligia M. M. Valente, Rodolfo S. Barboza, Romulo L. S. Neris, Iris P. Guimaraes-Andrade, Iranaia Assuncao-Miranda, Adriana C. Nascimento, Mario Gomes, Blanca Gallo, Carmen Iriondo
PHYTOCHEMICAL ANALYSIS
(2019)
Letter
Dermatology
Jone Garate, Sergio Lage, Roberto Fernandez, Veronica Velasco, Beatriz Abad, Aintzane Asumendi, Jesus Gardeazabal, Yoana Arroyo-Berdugo, Maria Angeles Rodriguez, Juan Luis Artola, Ignacio Zabalza, Begona Ochoa, Jose A. Fernandez, Maria Dolores Boyano
JOURNAL OF INVESTIGATIVE DERMATOLOGY
(2019)
Article
Food Science & Technology
Rosa Maria Alonso-Salces, Blanca Gallo, Maria Isabel Collado, Andrea Sasia-Arriba, Gabriela Elena Viacava, Diego Luis Garcia-Gonzalez, Tullia Gallina Toschi, Maurizio Servili, Luis Angel Berrueta
Summary: Metabolomic fingerprinting of virgin olive oil by H-1 NMR spectroscopy revealed that light exposure and increasing temperature enhance the oxidative degradation process in VOO. Analysis of chemical compounds and signal changes provided insights into VOO freshness evaluation and storage time determination.
Article
Biochemistry & Molecular Biology
Arantza Perez-Valle, Beatriz Abad-Garcia, Olatz Fresnedo, Gabriel Barreda-Gomez, Patricia Aspichueta, Aintzane Asumendi, Egoitz Astigarraga, Jose A. Fernandez, Maria Dolores Boyano, Begona Ochoa
Summary: By studying the lipidomes of normal human epidermal and nevus melanocytes, as well as primary and metastatic melanoma cell lines, significant and highly specific changes in over 30 lipid species were identified in the initiation of melanoma. Notably, malignancy lipid signatures showed marked drops in pivotal membrane lipids like sphingomyelins, suggesting a previously undefined remodeling of sphingolipid and glycerophospholipid metabolism. These different lipid profiles may aid in clinical diagnosis/prognosis and therapeutic interventions for cutaneous melanoma.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Applied
Ariel M. M. Araujo, Lucas M. M. Cruz, Mario Gomes, Blanca Gallo, Ligia M. M. Valente, Luis A. A. Berrueta
Summary: This study reports for the first time the phytochemical and biological evaluation of Bathysa gymnocarpa, an endemic tree species in Brazil. Through HPLC-DAD-ESI-MS/MS analysis, fourteen compounds were identified, including two cinnamic acid derivatives and several glycosylated derivatives of the flavonols quercetin and kaempferol. These compounds are reported for the first time in Bathysa spp.
NATURAL PRODUCT RESEARCH
(2023)
Article
Plant Sciences
Sarah Neves do Nascimento, Jose Luiz Mazzei, Joao Batista de Freitas Tostes, Batista de Freitas Tostes, Marcos Jun Nakamura, Ligia Maria Marino Valente, Raquel Curtinhas de Lima, Priscila Conrado Guerra Nunes, Elzinandes Leal de Azeredo, Luis Angel Berrueta, Blanca Gallo, Antonio Carlos Siani
Summary: Miconia albicans is widely used in Brazil as a remedy for rheumatoid arthritis and to alleviate symptoms caused by Chikungunya virus. This study found that certain components of this plant have inhibitory effects on CHIKV.
JOURNAL OF ETHNOPHARMACOLOGY
(2024)
Article
Chemistry, Multidisciplinary
Djavan da Paixao, Rodolfo S. Barboza, Ligia M. M. Valente, Matheus O. Souza, Antonio C. Siani, Rita C. A. Pereira, Blanca Gallo, Luis A. Berrueta
Summary: This study quantitatively evaluated the kaempferitrin content in leaves and branches of cultivated and wild UG specimens from the Brazilian Amazon rainforest, revealing its high concentration in leaves and its potential as a chemical marker for UG products. The analysis also identified quercetin-3,7-O-(alpha)-L-dirhamnoside in UG for the first time, highlighting the importance of kaempferitrin as a marker for this species.
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Jessica O. Costa, Rodolfo S. Barboza, Ligia M. M. Valente, Thiago Wolff, Mario Gomes, Blanca Gallo, Luis A. Berrueta, Iris P. Guimaraes-Andrade, Daniel Gavino-Leopoldino, Iranaia Assuncao-Miranda
JOURNAL OF THE BRAZILIAN CHEMICAL SOCIETY
(2020)
Article
Chemistry, Analytical
Yujia Ying, Huilin Li
Summary: Enzymes play a crucial role as biological catalysts in accelerating biochemical reactions in living organisms. This study proposes a convenient method for monitoring enzymatic catalytic processes using native top-down mass spectrometry. By exploring the heterogeneity of the chymotrypsin sample and using tandem mass spectrometry, the researchers were able to monitor covalent and noncovalent enzymatic complexes, substrates, and products during catalysis. The results demonstrate that this method has the potential to be a promising tool for characterizing biocatalysts.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Kang Yang, Shuaibo Shi, Jinyu Wu, Shaolong Han, Shengdi Tai, Shishen Zhang, Kun Zhang
Summary: H2O and D2O are important analogues closely related to various industries and monitoring fields. This study successfully distinguishes and detects H2O and D2O by designing a novel eu(III)-macrocycle with dual emitters, Eu-2a, and conducting fluorescence titration experiments.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Julia Kuligowski, Alvaro Perez-Rubio, Marta Moreno-Torres, Polina Soluyanova, Judith Perez-Rojas, Ivan Rienda, David Perez-Guaita, Eugenia Pareja, Ramon Trullenque-Juan, Jose Castell, Marcha Verheijen, Florian Caiment, Ramiro Jover, Guillermo Quintas
Summary: This study introduces a novel variable selection approach called cluster PLS (c-PLS) to assess the joint impact of variable groups selected based on biological characteristics on the predictive performance of a multivariate model. The usefulness of c-PLS is shown using miRNomic and metabolomic datasets obtained from the analysis of liver tissue biopsies.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Meixue Lai, Lijie Zhong, Siyi Liu, Yitian Tang, Tingting Han, Huali Deng, Yu Bao, Yingming Ma, Wei Wang, Li Niu, Shiyu Gan
Summary: This study presents a method for constructing wearable sweat electrolyte sensors using carbon fiber-based solid-contact ion-selective electrodes (SC-ISEs). By using carbon fibers extracted from commercial cloth as electrode material, the cost and reproducibility issues of flexible SC-ISEs were addressed. The results showed that the carbon fiber-based SC-ISEs exhibited reversible voltammetric and stable impedance performances, and had high reproducibility of standard potentials between normal and bending states.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Yang, Ying Liu, Min Deng, Peipei Wang, Dan Cheng, Songjiao Li, Longwei He
Summary: A near-infrared fluorescent probe has been developed to accurately measure the levels of peroxynitrite (ONOO-) in the endoplasmic reticulum (ER) in acute lung injury (ALI). The probe demonstrated rapid response, high selectivity, good sensitivity, and enhanced fluorescence intensity in response to ONOO-. It was successfully used to detect changes in ONOO- levels and showed significant increases in an ALI cell model and an ALI mouse model.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yanping Wang, Yuemei Chen, Kejun Li, Jinrong Zhou, Xin Yuan, Mei Zhang, Ke Huang
Summary: In this work, a portable analytical system based on point discharge chemical vapor generation atomic emission spectrometry (PD-CVG-AES) coupling with gold filament enrichment was designed. The highly sensitive analysis of Hg2+ indirectly realized the detection of ascorbic acid (AA). The measurement is based on the fact that Ag+ can decrease the concentration of Hg2+ by forming Ag-Hg amalgam in the presence of the reductant SnCl2, while AA can pre-reduce Ag+ to Ag0, leading to the generation of silver nanoparticles (Ag NPs). The developed novel analytical strategy broadens the application of microplasma-based AES and offers a higher level of sensitivity compared to current AA detection techniques.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yundi Huang, Bo Song, Kaiwen Chen, Deshu Kong, Jingli Yuan
Summary: This study developed two lysosome-targetable background-free TGL probes for efficient and accurate detection of 1O2, which can be used for monitoring endogenous 1O2 concentrations in lysosomes and discriminating variability induced by different photosensitizers. Furthermore, a smart luminescent sensor film was successfully prepared for on-site 1O2 production detection during PDT processes, offering a promising clinical monitoring tool for skin diseases.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Wei Lang, Jia-Mei Qin, Qian-Yong Cao
Summary: A novel polymer-based probe P1 was successfully synthesized for fluorescently ratiometric sensing of H2S with high selectivity and sensitivity. A smartphone sensing platform was constructed to conduct visual quantitative detection of H2S. P1 can be employed in evaluating the level fluctuations of H2S in living cells, testing water samples/wine samples, and monitoring food freshness.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yuanyuan Qin, Shuda Liu, Shuyun Meng, Dong Liu, Tianyan You
Summary: The study developed a split aptamer-based sandwich-type ratiometric biosensor for the detection of 17 beta-estradiol (E2) using photoelectrochemical and electrochemical assays. The biosensor utilized split aptamer fragments to recognize E2 and trigger a hybridization chain reaction, resulting in the production of double-stranded DNA labeled with CdTe quantum dots. This DNA complex was able to sensitize CdTe quantum dots and generate response signals for E2 detection. The developed biosensor demonstrated high sensitivity and accuracy with two linear ranges and low detection limits.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Siriwan Teepoo, Jongjit Jantra, Khaunnapa Panapong, David Taiwo Ajayi
Summary: A novel immunochromatographic assay based on hyperbranched Au plasmonic blackbodies with a smartphone readout was developed for rapid and sensitive detection of leucomalachite green residues in fish and shrimp products.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Andrea L. Larraga-Urdaz, Borja Moreira-Alvarez, Jorge Ruiz Encinar, Jose M. Costa-Fernandez, Maria Luisa Fernandez-Sanchez
Summary: A major challenge in the 21st century is the development of point-of-care diagnostic tools. In this study, a highly sensitive and simple bioassay using AuNPs and MNAzymes was developed for rapid detection and quantification of miRNA-4739. The proposed strategy shows potential for breast cancer diagnosis.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Xiaohan Zhao, Anyu Wang, Lingzi Zhai, Jiuhe Gao, Sizhe Lyu, Yingshan Jiang, Tian Zhong, Ying Xiao, Xi Yu
Summary: A novel method using polystyrene-coated magnetic nanoparticles for extracting monohydroxy polycyclic aromatic hydrocarbons from urine samples was investigated. The proposed method is simple, sensitive, and efficient, with desirable sensitivity for analyzing low-abundance metabolites in large volumes of complex urine samples.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Quan, Yuqing Zeng, Wenke Zhang, Fengfeng Li, Mengjiao Li, Zhihe Qing, Linlin Wu
Summary: In this study, a visual and reusable biosensor was developed for detecting substrates that are closely associated with human physiological health. The immobilized oxidase showed higher stability and sensitivity under harsh conditions, enabling reliable detection of substrates in complex fluids.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Dongjuan Wang, Xiuqian Ding, Jinling Xie, Juan Wang, Guanhao Li, Xin Zhou
Summary: In this study, a three-in-one sensor was developed for real-time detection of biogenic amines (BAs) with high sensitivity and selectivity. The sensor showed multimodal responses and could be used to fabricate portable devices for on-site non-destructive assessment of food spoilage indicators.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Jinting Meng, Zihao Xu, Shasha Zheng, Hongqun Yang, Tianfu Wang, Hong Wang, Yingwei Zhang
Summary: This study demonstrates the development of a cascade signal amplification system using a multi-pedal DNA walker and strand displacement reactions for the electrochemical detection of miRNA-155. The biosensor exhibited high sensitivity, selectivity, and the potential for clinical applications.
ANALYTICA CHIMICA ACTA
(2024)