Article
Chemistry, Analytical
Junhui Li, Lei Li, Wenqing Gao, Shoudong Shi, Jiancheng Yu, Keqi Tang
Summary: A high-performance FAIMS-IMS-MS platform was developed for exploring the conformational diversity of bradykinin. The FAIMS-IMS technique can resolve multiple conformers of (BK + H+) ions, and the separations in FAIMS and IMS dimensions are largely orthogonal, resulting in a higher overall resolving power.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Applied
Veronique Bonnet, Gilles Clodic, Christian Sonnendecker, Wolfgang Zimmermann, Cedric Przybylski
Summary: In this study, it was demonstrated that ion mobility mass spectrometry (IM-MS) can effectively discriminate isomers of cyclic oligosaccharides and provide models through molecular modeling. These results are significant for the identification of carbohydrate conformers that cannot be easily reached by other approaches.
CARBOHYDRATE POLYMERS
(2023)
Article
Chemistry, Analytical
Lei Yang, Wenjing Zhang, Wei Xu
Summary: Protein structure dynamics in solution and from solution to gas phase are important but challenging topics. Great efforts and advances have been made especially since the wide application of ion mobility mass spectrometry (IM-MS), by which protein collision cross section (CCS) in gas phase could be measured.
ANALYTICA CHIMICA ACTA
(2023)
Article
Chemistry, Applied
Clemente Ortiz-Romero, Rocio Rios-Reina, Diego L. Garcia-Gonzalez, Maria Jose Cardador, Raquel M. Callejon, Lourdes Arce
Summary: This study aimed to evaluate the potential of analytical techniques for classifying and predicting different categories of olive oil. The results showed that infrared spectroscopy (MIR and NIR) and head-space gas chromatography coupled to an ion mobility spectrometer (HS-GC-IMS) had high classification success rates, with HS-GC-IMS showing greater potential.
Article
Chemistry, Applied
Tingting Zhang, Charfedinne Ayed, Ian D. Fisk, Tong Pan, Jianhua Wang, Ni Yang, Qun Sun
Summary: This study compared the VOCs of sweet corn seeds between artificial aging (AA) and natural aging (NA), and constructed an effective AS-PLS-R model based on 3 volatile markers, achieving the best performance for predicting seed vigour. Coupling Gas Chromatography-Ion Mobility Spectrometry (GC-IMS) with chemometrics can be an effective way to monitor and predict stored seeds vigour.
Article
Chemistry, Analytical
Elise Daems, Debbie Dewaele, Konstantin Barylyuk, Karolien De Wael, Frank Sobott
Summary: The applications of aptamers, small oligonucleotide-based receptors with high specificity and affinity for their targets, are expanding. However, our understanding of the mechanisms governing aptamer-ligand recognition and binding is lacking, hindering the rational design of new aptamers and optimization of known ones. Using native ion mobility-mass spectrometry, the capabilities and limitations for analyzing the higher-order structure and non-covalent interactions of aptamers were demonstrated.
Article
Biochemistry & Molecular Biology
Jingwen Li, Jingfei Chen, Yefei Wang, Lishan Yao
Summary: The hydrogen bond cooperativity in the beta-sheet of GB3 protein is investigated using a NMR hydrogen/deuterium exchange method. It is found that weakening one hydrogen bond perturbs other neighboring hydrogen bonds, with three being cooperative and one being anticooperative. This hydrogen bond cooperativity plays a significant role in the stability and conformational coupling of the beta-sheet.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2022)
Article
Chemistry, Analytical
Francis Berthias, Matthew A. Baird, Alexandre A. Shvartsburg
Summary: Since the 1980s, D-amino acid-containing peptides (DAACPs) have been discovered in animals, showing tremendous functional specificity at extremely low levels. The introduction of the new technique differential IMS (FAIMS) has successfully separated all 18 pairs of epimer species, showcasing a 2.5X resolution increase compared to trapped IMS.
ANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Analytical
Jake Breen, Mahin Hashemihedeshi, Roshanak Amiri, Frank L. Dorman, Karl J. Jobst
Summary: Gas chromatography multiplexed with cyclic ion mobility mass spectrometry is a comprehensive two-dimensional separation technique that can resolve compounds that would otherwise coelute in a single-dimension separation. The present study demonstrates a method to mitigate wrap-around in cyclic ion mobility, allowing for non-targeted interpretation of experiments while maintaining the benefits of peak capacities.
ANALYTICAL CHEMISTRY
(2022)
Article
Biochemical Research Methods
Didier Devaurs, Dinler A. Antunes, Antoni J. Borysik
Summary: Despite being used for several decades in structural studies of molecules, hydrogen-exchange monitoring data are often only qualitatively assessed in computational modeling. Various paradigms and prediction models have been proposed to link molecular structure and hydrogen exchange, but none have been widely accepted by the structural biology community. This paper aims to provide an exhaustive list of these models and hopes to guide research towards the development of better prediction models for improving synergies between hydrogen-exchange monitoring and molecular modeling.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemistry & Molecular Biology
Sylwia Studzinska, Szymon Bocian, Anna Kilanowska, Boguslaw Buszewski
Summary: This study aimed to develop a new method for separating oligonucleotides by using different mobile phases to improve separation selectivity. The number of anion-exchange layers, type of salt, and pH significantly impacted the analysis of oligonucleotides. The developed chromatographic method exhibited sufficient selectivity for different oligonucleotide lengths. Based on the results, dendrimer stationary phases can be used as alternatives to commonly applied packing materials in ion-exchange chromatography.
Article
Engineering, Chemical
Yuxuan Huang, Hanqing Fan, Ngai Yin Yip
Summary: This study investigates the impact of different electrolytes on the tradeoff between conductivity and permselectivity in ion-exchange membranes. The results show that the conductivity is determined by the valency and mobility of the counterion, while the permselectivity decreases with higher valency of the counterion and lower valency of the co-ion. The study reveals the factors governing the tradeoff and advances the understanding of achievable performance in practical applications.
JOURNAL OF MEMBRANE SCIENCE
(2023)
Article
Biochemical Research Methods
J. Michael Sutton, Noha M. El Zahar, Michael G. Bartlett
Summary: The study focuses on improving the mobile phase of electrospray oligonucleotides to reduce spectral complexity and increase sensitivity. By using different combinations of fluorinated alcohols and alkylamines, it is possible to selectively reduce the charge states of oligonucleotides. Additionally, anionic salts are used to stabilize complexes and provide unique structural information about the molecules.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Engineering, Chemical
Jose C. Diaz, Jovan Kamcev
Summary: Accurate measurements of membrane ionic conductivity are essential for understanding ion transport, but there is no standardized technique for such measurements. Discrepancies in reported ionic conductivity values for common commercial membranes are common. This study presents a non-invasive method based on electrochemical impedance spectroscopy to address external resistances in thin membranes equilibrated with dilute salt solutions.
JOURNAL OF MEMBRANE SCIENCE
(2021)
Review
Chemistry, Analytical
Natividad Jurado-Campos, Rocio Rodriguez-Gomez, Natalia Arroyo-Manzanares, Lourdes Arce
Summary: This review explores alternative techniques for classifying olive oils, complementing the current official methods, and provides a detailed description of their advantages and disadvantages. These new techniques can replace or supplement the conventional physicochemical analysis and sensory tasting methods.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Cedric Delvaux, Philippe Massonnet, Christopher Kune, Jean R. N. Haler, Gregory Upert, Gilles Mourier, Nicolas Gilles, Loic Quinton, Edwin De Pauw, Johann Far
ANALYTICAL CHEMISTRY
(2020)
Article
Biochemical Research Methods
Jean R. N. Haler, Vincent Lemaur, Johann Far, Christopher Kune, Pascal Gerbaux, Jerome Cornil, Edwin De Pauw
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2020)
Article
Biochemical Research Methods
Jean R. N. Haler, Philippe Massonnet, Johann Far, Gregory Upert, Nicolas Gilles, Gilles Mourier, Loic Quinton, Edwin De Pauw
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2020)
Article
Biochemical Research Methods
Denis Morsa, Emeline Hanozin, Gauthier Eppe, Edwin De Pauw
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2020)
Article
Biochemical Research Methods
Frederic Dewez, Janina Oejten, Corinna Henkel, Romano Hebeler, Heiko Neuweger, Edwin De Pauw, Ron M. A. Heeren, Benjamin Balluff
Article
Chemistry, Analytical
Cedric Delvaux, Marjorie Dauvin, Madeleine Boulanger, Loic Quinton, Dominique Mengin-Lecreulx, Bernard Joris, Edwin De Pauw, Johann Far
Summary: Peptidoglycan (PGN) is a crucial structure in bacterial cell walls, continuously synthesized and degraded during bacterial life cycle for growth and division. PGN fragments act as messenger molecules in bacterial cell wall stress response and triggering mammalian innate immune response. Bacteria modulate their PGN degradation or recognition by chemically modifying PGN, such as amidating the epsilon-carboxyl group of meso-diaminopimelic acid in the PGN peptide chain. The quantitation of PGN-derived peptides is challenging due to their hydrophilic nature, but capillary zone electrophoresis coupled with high-resolution mass spectrometry shows excellent repeatability in quantitation of PGN peptides and their derivatives in bacterial cytoplasmic extracts.
ANALYTICAL CHEMISTRY
(2021)
Editorial Material
Chemistry, Analytical
Denis Morsa, Emeline Hanozin, Valerie Gabelica, Edwin De Pauw
ANALYTICAL CHEMISTRY
(2020)
Article
Chemistry, Analytical
Frederic Dewez, Edwin De Pauw, Ron M. A. Heeren, Benjamin Balluff
Summary: The multilabel approach in quantitative mass spectrometry imaging provides more accurate quantitation compared to a single-label approach, particularly when the target compound is unevenly distributed at a wide concentration range in the tissue.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Jean R. N. Haler, Johann Far, Victor R. de la Rosa, Christopher Kune, Richard Hoogenboom, Edwin De Pauw
Summary: Researchers have developed an automatable method to fit IM data without the need for computational chemistry. By monitoring the relationship between collision cross sections and the degree of polymerization, they explored physicochemical properties of polymers and their monomer units and identified several remarkable points in the evolution of CCS with DP. These remarkable points can be extracted from raw IM data without accurate calibration, leading to predictions on fit parameters based on the nature of the monomer unit.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Chemistry, Analytical
Raphael La Rocca, Christopher Kune, Mathieu Tiquet, Lachlan Stuart, Gauthier Eppe, Theodore Alexandrov, Edwin De Pauw, Loic Quinton
Summary: Mass spectrometry imaging (MSI) is a powerful method for revealing the spatial chemical composition of different biological samples, but the accuracy of molecular annotation can be affected by mass shifts. Internal calibration is known to be the best solution to reduce mass shifts. This study introduces an algorithm that recalibrates each spectrum individually to mitigate the impact of mass shift and demonstrates its broad applicability in improving data analysis.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Jean R. N. Haler, Eric Bechet, Christopher Kune, Johann Far, Edwin De Pauw
Summary: This study investigates the extraction of structural information from experimental ion mobility-mass spectrometry (IM-MS) data sets using trends-based analyses. The modeled shape evolutions based on computer-aided design software show favorable comparison to experimental collision cross-section (CCS) trends, indicating the effective modeling of ion-drift gas interactions. The relationship between CCS and surface area holds not only for convex shapes but also for moderately concave shapes.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemical Research Methods
Elodie Grifnee, Christopher Kune, Cedric Delvaux, Loic Quinton, Johann Far, Gabriel Mazzucchelli, Edwin De Pauw
Summary: Protein structural analysis has been a focus for decades, with X-ray crystallography, nuclear magnetic resonance, and mass spectrometry being important methods for determining 3D structures. Mass spectrometry has become powerful due to its selectivity and sensitivity, requiring combination with computational chemistry and bioinformatics for full structure assignment. Temperature-dependent digestion experiments provide insights into secondary structures around cleavage sites.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemical Research Methods
Andrea McCann, Christopher Kune, Philippe Massonnet, Johann Far, Marc Ongena, Gauthier Eppe, Loic Quinton, Edwin De Pauw
Summary: With improved ion mobility resolution, it is now possible to separate small protomeric tautomers. This study observed the presence of protomers in the molecule surfactin, supporting the idea that protomeric tautomerism can still be observed in molecules above 1000 Da.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Biochemical Research Methods
Justine Hustin, Christopher Kune, Johann Far, Gauthier Eppe, Delphine Debois, Loic Quinton, Edwin De Pauw
Summary: Lipidomics has seen rapid development in the past decade. The analysis of non-targeted lipidomics from biological samples presents challenges due to the diverse structures, concentration ranges, and complexity of lipids. In this study, the authors introduce the use of differential Kendrick's plots as a rapid visualization tool for qualitative non-targeted lipid analysis. They demonstrate that this tool can be applied using liquid chromatography-mass spectrometry (LC-MS) or direct infusion (nESI-MS) data. The authors also provide a software tool, MSKendrickFilter, and utilize the LIPID MAPS database for lipid identification. The study shows that direct infusion is a fast qualitative screening method and can be used for chromatogram analysis.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Chemistry, Analytical
Hugo B. Muller, Georges Scholl, Johann Far, Edwin De Pauw, Gauthier Eppe
Summary: This paper introduces the concept of sliding windows in ion mobility (SWIM) for chromatography hyphenated TIMS applications and demonstrates that using SWIM mode can significantly improve ion mobility resolving power in complex sample analysis.
ANALYTICAL CHEMISTRY
(2023)