Article
Materials Science, Multidisciplinary
Jean-Arthur Amalian, Tathagata Mondal, Evgeniia Konishcheva, Gianni Cavallo, Benoit Eric Petit, Jean-Francois Lutz, Laurence Charles
Summary: Sequence-defined synthetic polymers are being used as a medium to store information at the molecular level, with low storage capacity of readable chains being a current limitation. Ordering short oligomers on surfaces to compose long messages is an attractive alternative, and desorption electrospray ionization (DESI) is shown to be suitable for bidimensional data storage.
ADVANCED MATERIALS TECHNOLOGIES
(2021)
Article
Biochemical Research Methods
Herbert J. Dias, Eduardo J. Crevelin, Vinicius Palaretti, Ricardo Vessecchi, Antonio E. M. Crotti
Summary: Through negative ion ESI accurate-mass tandem and sequential mass spectrometry, it was found that deprotonated DBNs produced more diagnostic product ions than protonated molecules, providing more information and avoiding the use of additives.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2021)
Article
Chemistry, Analytical
Fong-Fu Hsu
Summary: This study utilized HCD MS2 spectra to investigate the fragmentation processes of ceramide molecules, allowing for accurate definition of ceramide structures based on observed sets of fragment ions reflecting the fatty acyl chain and LCB. The approach permits differentiation of isomeric structures and detailed characterization of ceramide species in biological samples.
ANALYTICA CHIMICA ACTA
(2021)
Article
Biochemical Research Methods
Felix-Levin Hormann, Simon Sommer, Sven Heiles
Summary: Phospholipids are crucial components of eukaryotic cell membranes and undergo structural changes during metabolic states. These structural variations are associated with disease states and specific organisms. This study demonstrates that all analyzed phospholipid classes form doubly charged lipid-metal ion complexes during electrospray ionization, which can be utilized for lipid class assignment and fatty acid identification. The use of water free methanol and divalent metal salts greatly enhances the abundance of these complexes. This method allows for the differentiation of fatty acid isomers and relative quantitation of these isomeric compounds.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Review
Pharmacology & Pharmacy
Manman Qin, Yuqing Qian, Lu Huang, Chao Zhong, Mingdong Li, Jun Yu, Huanwen Chen
Summary: Extraction electrospray ionization mass spectrometry (EESI-MS) enables effective ionization of trace molecules in complex samples without sample pretreatment, providing high sensitivity, selectivity, and response speed. It also allows for advanced functionalization of high-energy molecular species. This article systematically reviews the effects of operating conditions on the analytical performance of EESI-MS for various pharmaceutical compounds and introduces its potential application in molecular functionalization for drug discovery.
FRONTIERS IN PHARMACOLOGY
(2023)
Article
Polymer Science
Tomos E. Morgan, Thomas G. Floyd, Bryan P. Marzullo, Christopher A. Wootton, Mark P. Barrow, Anthony W. T. Bristow, Sebastien Perrier, Peter B. O'Connor
Summary: Understanding the modification of synthetic polymer structures is crucial for accurate synthesis and applications. In this study, partially hydrolyzed poly(2-oxazoline) species were produced to form poly[(2-polyoxazoline)-co-(ethylenimine)] (P(EtOx-co-EI)) copolymers. Mass spectrometry analysis revealed that the distribution of the hydrolyzed product (EI) within the copolymer was influenced by the choice of terminus, with permanent hydrolysis observed at an OH terminus.
Article
Chemistry, Physical
Neville J. A. Coughlan, Weiqiang Fu, Mircea Guna, Bradley B. Schneider, J. C. Yves Le Blanc, J. Larry Campbell, W. Scott Hopkins
Summary: PABA was electrosprayed from mixtures of protic and aprotic solvents, resulting in the formation of two prototropic isomers in the gas phase, with their relative populations depending on the composition of the electrospray solvent. Differential mobility spectrometry (DMS) was used to separate the two ion populations in the gas phase, showing that the N-protonated isomer had a more negative CV shift than the O-protonated isomer. The study also demonstrated that CCSD vertical excitation energies and vertical gradient Franck-Condon simulations provided near-quantitative agreement with the measured spectral features, supporting the spectral assignments.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Review
Chemistry, Analytical
Bin Hu, Zhong-Ping Yao
Summary: This article reviews the technical aspects and important applications of wooden-tip ESI-MS in various fields. Wooden-tip ESI-MS has shown significant achievements in the past 10 years and has the potential for further development and application.
ANALYTICA CHIMICA ACTA
(2022)
Article
Biochemical Research Methods
Michael Goetze, Lukasz Polewski, Leila Bechtella, Kevin Pagel
Summary: This article introduces a 3D-printable nano-electrospray ionization (nano-ESI) source for Bruker instruments, which can be assembled by anyone with access to a 3D printer. The source can be fitted to any Bruker mass spectrometer with an ionBooster ESI source and only requires minor, reversible changes to the original Bruker hardware. The general utility of the source was demonstrated by recording high-resolution MS spectra of small molecules, intact proteins, as well as complex biological samples in negative and positive ion mode on two different Bruker instruments.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Chemistry, Applied
Mary Angela Favaro Perez, Daniela Daniel, Marisa Padula, Claudimir Lucio do Lago, Carla Beatriz Grespan Bottoli
Summary: This study developed an efficient method for the rapid detection of primary aromatic amines in cooking utensils, revealing that some of the samples did not meet the standards.
Article
Biochemical Research Methods
Dilip Kumar Singh, Siddheshwar Kisan Chauthe, Prakash Anjanappa, Sumit Kumar, Ruba A. Arulraj, Raju Gajjela, Noor Mohammed, Venkatesh T. Kanthappa, Ananta Karmakar, Arun Kumar Gupta, Lakshmikant Bajpai, Muralidhararao Bagadi, Arvind Mathur
Summary: The study successfully differentiated pairs of N,N'-substituted urea positional isomers using electrospray ionization tandem mass spectrometry, demonstrating the method's potential for characterizing a series of derivatives.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2021)
Article
Multidisciplinary Sciences
Amanda Gisler, Kapil Dev Singh, Jiafa Zeng, Martin Osswald, Mo Awchi, Fabienne Decrue, Felix Schmidt, Noriane A. Sievi, Xing Chen, Jakob Usemann, Urs Frey, Malcolm Kohler, Xue Li, Pablo Sinues
Summary: Exhaled breath analysis provides valuable molecular-level information and has promising potential for precision medicine. However, the lack of validation in multicenter trials hinders the transition of breath tests into routine clinical practice. In this study, an interoperability framework was developed and applied, revealing a technical variability of approximately 20% and identifying a core signature of the human exhaled metabolome. The results showed high inter-subject variability for certain metabolic classes but relative stability in other regions, such as the TCA cycle. This framework and the overview of metabolic coverage will pave the way for future large-scale multicenter trials.
Article
Biochemical Research Methods
Teresa Kwok, She Lin Chan, Matthew Courtney, Mike Zhou, Tiemin Huang, Tao Bo, Victor Li, Tong Chen
Summary: Recombinant monoclonal antibodies have driven the growth of commercial biotherapeutics. In this study, a nano-ESI apparatus was constructed to combine icIEF with HRMS, allowing for a comprehensive understanding of protein charge heterogeneity. The system demonstrated excellent sensitivity and repeatability, making it a valuable tool for assessing the structural modifications impacting protein charge heterogeneity.
ANALYTICAL BIOCHEMISTRY
(2023)
Article
Chemistry, Analytical
Hua-Ming Xiao, Xing Yang, Feng Zheng, Sofja Tshepelevitsh, Xian Wang, Xiao-Jun Yao, Ivo Leito, Yu-Qi Feng
Summary: Chemical derivatization-assisted electrospray ionization-triple quadrupole mass spectrometry (ESI-QqQMS) is an efficient tool for quantifying low-molecular-weight molecules. This study utilized quantitative structure-activity relationship (QSAR) modeling to investigate the relationship between modifying group structures in derivatization reagents and the detection sensitivity of their derivatives during ESI-MS detection. The study found that several molecular descriptors related to hydrophobicity, electronegativity, and molecular shape were correlated with the detection sensitivity of derivatives induced by different modifying groups.
ANALYTICA CHIMICA ACTA
(2021)
Article
Food Science & Technology
Yi-Tzu Cho, Hung Su, Ching-Ying Wu, Jingyueh Jeng, Chi-Wei Lee, Deng-Chyang Wu, Tiao-Lai Huang, Jentaie Shiea
Summary: This study aimed to develop an efficient and non-invasive method for monitoring drugs and their metabolites through human skin. By combining probe sampling with thermal desorption-electrospray ionization tandem mass spectrometry, trace amounts of terbinafine secreted on patients' skin after ingestion could be characterized and monitored for 8 weeks. The detection and location of terbinafine through the skin suggest that this method is useful for rapidly and noninvasively collecting molecular information of ingested drugs for pharmacokinetic studies.
JOURNAL OF FOOD AND DRUG ANALYSIS
(2022)