Article
Chemistry, Analytical
L. D. Rusu, I. Bratu, C. Maruioiu, Z. Moldovan, M. Rada
Summary: A rapid analytical method for detecting meldonium and other beta blockers in urine samples was reported using FTIR, TLC plates coated with SiO2, and mass spectrometry. Surface hydroxyl groups were used for indirect detection, and quantification was confirmed by mass spectrometry using EI and ESP ionization systems.
ANALYTICAL LETTERS
(2021)
Article
Chemistry, Analytical
Magnus Palmblad, Enahoro Asein, Nina P. Bergman, Arina Ivanova, Lukas Ramasauskas, Hazzar Mohammed Reyes, Stefan Ruchti, Leonardo Soto-Jacome, Jonas Bergquist
Summary: Finding the most relevant data in a given context is a major obstacle to reusing and integrating existing data. To stimulate the development of natural language processing methods for extracting information from articles, researchers manually annotated 100 recent open access publications in Analytical Chemistry, creating semantic graphs.
ANALYTICAL CHEMISTRY
(2022)
Review
Chemistry, Analytical
Stanislava Rakusanova, Tomas Cajka
Summary: This article reviews the current analytical methods for analyzing type 2 diabetes (T2D) medication in human and animal samples. The advantages and limitations of sample preparation, separation, and detection of these drugs are discussed. The importance of multi-targeted analytical methods and assessing T2D medication adherence is emphasized.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(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
Multidisciplinary Sciences
Dongxue Zhang, Fan Yin, Qin Qin, Liang Qiao
Summary: Bacterial antimicrobial resistance (AMR) is a major challenge to current society, and understanding the molecular changes during bacterial self-saving responses can lead to new inhibition methods. This study used microfluidics mass spectrometry to identify metabolic changes in extended-spectrum beta-lactamase-producing Escherichia coli (ESBL-E. coli) during filamentation. The up-regulation of cyclic dinucleotide c-di-GMP, which is related to bacterial resistance and tolerance, was observed. By inhibiting the synthesis of c-di-GMP through a chemical inhibitor, the minimum inhibitory concentration of ceftriaxone against ESBL-E. coli was significantly decreased. This study uncovers molecular changes during bacterial filamentation and proposes a method to inhibit antibiotic-resistant bacteria.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Analytical
Alexander Pevzner, Gil Feldheim, Amalia Zaltsman, Shmuel Elisha, Vered Heleg-Shabtai, Izhar Ron
Summary: The need for sampling hazardous compounds in the form of solids and liquids is increasing in the fields of homeland security and forensics. The approach presented in this work utilizes sonic spray and hand-held ion mobility spectrometry for rapid, continuous vapor generation and analysis of liquid samples, providing competitive performance to common thermal desorption techniques. The technique is simple, cost-effective, and suitable for field use.
Review
Chemistry, Analytical
Shaojie Qin, Daiyu Miao, Xue Zhang, Yi Zhang, Yu Bai
Summary: Metabolomics at the single-cell level using mass spectrometry has great importance in revealing phenotypic heterogeneity and contributing to precision diagnosis of diseases. This review categorizes and summarizes the developments of mass spectrometry-based single-cell metabolomics according to different ionization methods, systematically introducing key parameters such as cell throughput, metabolite coverage, and imaging capability. Challenges and perspectives for further development of techniques, data integration, and biological applications in mass spectrometry-based single-cell metabolomics are proposed.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Applied
Haeran Moon, Ae-ji Nam, Kimberly Etombi Muambo, Jeong-Eun Oh
Summary: A method for simultaneous detection of 27 regulated and unregulated anesthetics and sedatives in seafood using LC-ESI/MSMS was developed and validated. The most efficient pretreatment methods involved extraction using acetonitrile only or 0.1% ammonium acetate in acetonitrile. The method meets the requirements of both international and domestic guidelines.
Review
Biochemistry & Molecular Biology
Michal Kaleta, Jana Oklestkova, Ondrej Novak, Miroslav Strnad
Summary: Neuroactive steroids are a family of compounds that can affect nervous system functions, synthesized in either the nervous system or peripheral endocrine tissues. Monitoring the production and levels of neuroactive steroids can be beneficial for the prevention, diagnosis, monitoring, and treatment of neurodegenerative and psychiatric diseases. Immunoanalytical methods and chromatography combined with mass spectrometry are highlighted as relevant techniques for analyzing neuroactive steroids.
Article
Chemistry, Analytical
Vincen Wu, Jocelyn Tillner, Emrys Jones, James S. McKenzie, Dipa Gurung, Anna Mroz, Liam Poynter, Daniel Simon, Cristina Grau, Xavier Altafaj, Marc-Emmanuel Dumas, Ian Gilmore, Josephine Bunch, Zoltan Takats
Summary: This study examines the suitability of desorption electro-flow focusing ionization (DEFFI) for mass spectrometry imaging (MSI) of biological tissue, comparing its performance to the traditional desorption electrospray ionization (DESI). The flow focusing mechanism in DESI offers advantages such as a rotationally symmetric electrospray jet, higher intensity, controllable parameters, and better portability. The optimized parameters for DEFFI result in similar images to DESI but with better sensitivity.
ANALYTICAL CHEMISTRY
(2022)
Article
Environmental Sciences
Ricardo Alves Bernardo, Jean Carlos Pereira Sousa, Matheus Gallimberti, Fernando Barbosa Junior, Boniek Gontijo Vaz, Andrea Rodrigues Chaves
Summary: Concerns over human health risks due to the use of bisphenol A in thermal papers have led to its replacement by bisphenol S. Analyzing bisphenols typically involves laborious and time-consuming steps, but a new paper spray ionization mass spectrometry (PSI-MS) method offers a faster and efficient alternative. The study found that bisphenol S concentrations in BPA-free thermal papers ranged from 1.36 to 6.77 mu g g(-1), while BPA concentrations in all samples of thermal paper ranged from 6.56 to 16.4 mu g g(-1).
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2021)
Review
Chemistry, Analytical
Tianyu Zhou, Hongji Li, Mengxiang Shang, Dongshu Sun, Chunbo Liu, Guangbo Che
Summary: This review comprehensively summarizes recent detection methods for riboflavin in food, biological and pharmaceutical fields, including mass spectrometry, fluorescent detection, electrochemical detection, immunoassay, etc. Customized detection mechanisms for riboflavin structure/physicochemical-property and the development of new functional materials have led to excellent detection performances with high sensitivity, precision, and accuracy.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2021)
Review
Chemistry, Analytical
Isabel Barbosa, Fernando Ramos, Rui M. Barbosa, Catia Domingues
Summary: This review provides a comprehensive overview of the determination of amatoxins, focusing on sample preparation and the importance of liquid chromatography coupled to mass spectrometry.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2023)
Review
Chemistry, Analytical
A. Fernez Asensio, E. Alvarez-Gonzalez, A. Rodriguez, L. M. Sierra, E. Blanco-Gonzalez
Summary: Dysregulation of TCA cycle enzymes leads to abnormal accumulation of oncometabolites, which contribute to cancer formation and progression. GC-MS and LC-MS are powerful analytical tools for accurate identification and determination of these metabolites.
ANALYTICA CHIMICA ACTA
(2021)
Article
Plant Sciences
Chantal D. Bader, Patrick A. Haack, Fabian Panter, Daniel Krug, Rolf Mueller
Summary: Recent advances in genome sequencing have revealed a significant gap between the potential capacity of microorganisms to produce secondary metabolites and the number actually detected. By utilizing two different mass spectrometry platforms, this study identified complementary methods for detecting known and unknown metabolites in myxobacterial strains, ultimately increasing the chances of discovering new secondary metabolites. Additionally, analyzing both liquid and plate cultures of the strains led to the detection of a higher number of molecular features, highlighting the importance of diverse cultivation conditions in metabolomics studies.
JOURNAL OF NATURAL PRODUCTS
(2021)
Article
Chemistry, Analytical
Lucas J. Szalwinski, L. Edwin Gonzalez, Nicolas M. Morato, Brett M. Marsh, R. Graham Cooks
Summary: In this study, the growth of E. coli was monitored using desorption electrospray ionization mass spectrometry, and changes in lipids were observed. The study also demonstrated the potential of desorption electrospray ionization mass spectrometry for rapid sampling of complex mixtures.
Article
Chemistry, Medicinal
Samadhi C. Kulathunga, Nicolas M. Morato, Qing Zhou, R. Graham Cooks, Andrew D. Mesecar
Summary: A novel label-free assay based on high-throughput DESI-MS and a fluorometric coupled-enzyme method were developed for quantitation and kinetic analysis of the sulfonation reaction catalyzed by SULT2B1b. Both methods provided consistent kinetic data and indicated the affinity trend of SULT2B1b with its substrates. The DESI-MS assay has promising potential for identifying SULT2B1b inhibitors as prostate cancer therapeutics and can be applied to other drug discovery efforts.
Article
Chemistry, Multidisciplinary
Kai-Hung Huang, Jyotirmoy Ghosh, Shiqing Xu, R. Graham Cooks
Summary: Late-stage functionalization is an approach to generate modified molecules that retain functional groups present in the active drugs. This study characterizes the potential value of high-throughput desorption electrospray ionization mass spectrometry (HT DESI-MS) for small-scale rapid late-stage functionalization.
Article
Chemistry, Multidisciplinary
Xingshuo Chen, Zhenwei Wei, Kai-Hung Huang, Mycah Uehling, Michael Wleklinski, Shane Krska, Alexey A. Makarov, Timothy Nowak, R. Graham Cooks
Summary: In this study, nanoelectrospray ionization mass spectrometry (nanoESI-MS) was used to monitor the precatalysts, catalytic intermediates, reagents, and products of the Suzuki-Miyaura cross-coupling reaction. Pd cluster ions related to the active catalyst and an oxidized catalyst were detected, with the latter increasing as the reaction proceeds. Further experiments confirmed the presence of the oxidized catalyst. Monitoring the formation and conversion of the oxidative addition intermediate provided insights into the progress of the transmetalation step in the catalytic cycle.
Article
Biochemical Research Methods
Lingqi Qiu, Michael D. Psimos, R. Graham Cooks
Summary: This study reports the accelerated oxidation of aromatic sulfones in microdroplets, which shows a high reaction rate and regioselectivity. Experimental data suggest that the water radical cation derived from traces of water in the solvent acts as the oxidant.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2022)
Article
Oncology
Manu Prasad, Jonathan Zorea, Sankar Jagadeeshan, Avital B. Shnerb, Sooraj Mathukkada, Jebrane Bouaoud, Lucas Michon, Ofra Novoplansky, Mai Badarni, Limor Cohen, Ksenia M. Yegodayev, Sapir Tzadok, Barak Rotblat, Libor Brezina, Andreas Mock, Andy Karabajakian, Jerome Fayette, Idan Cohen, Tomer Cooks, Irit Allon, Orr Dimitstein, Benzion Joshua, Dexin Kong, Elena Voronov, Maurizio Scaltriti, Yaron Carmi, Cristina Conde-Lopez, Jochen Hess, Ina Kurth, Luc G. T. Morris, Pierre Saintigny, Moshe Elkabets
Summary: In head and neck cancer, treatment with MEK1/2 inhibitor delays tumor progression and enhances antitumor immunity of CD8(+) T cells. Sensitizing tumors to immunotherapy during MEK1/2 inhibition can eliminate tumors and induce immune memory. Prolonged treatment with MEK1/2 inhibitor may lead to immunosuppressive tumor microenvironment due to epithelial to mesenchymal transition.
JOURNAL FOR IMMUNOTHERAPY OF CANCER
(2022)
Article
Chemistry, Multidisciplinary
Lingqi Qiu, R. Graham Cooks
Summary: Microdroplets exhibit unique chemistry, including simultaneous oxidation and reduction reactions. The active reagent is identified as the water radical cation/anion pair. The coexistence of oxidative and reductive species supports the existence of a double-layer structure at the microdroplet surface.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Kai-Hung Huang, Nicolas M. Morato, Yunfei Feng, R. Graham Cooks
Summary: Late-stage diversification of drug molecules is facilitated by reaction screening using high-throughput experimentation. In this study, a rapid method for functionalizing bioactive molecules based on accelerated reactions in microdroplets is presented. Using this method, an opioid agonist and an antagonist were diversified and characterized by tandem mass spectrometry after screening over 500 reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Atomic, Molecular & Chemical
Eric T. Dziekonski, Thomas C. Sams, Lucas J. Szalwinski, L. Edwin Gonzalez, R. Graham Cooks
Summary: Two-dimensional tandem mass spectrometry (2D-MS/MS) is employed to characterize each sample in an array by creating ion populations from complex mixtures using desorption electrospray ionization. Automated high-throughput examination of each sample in the array is achieved through integrated movement of the sample array and automated data acquisition. Position control is accomplished using an Arduino microprocessor, a RAMPS control board, two stepper motors, and a custom MATLAB graphical user interface. Data processing improvements are made to enhance visual discrimination of peaks from the background in local regions of the 2D spectrum.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2023)
Article
Chemistry, Multidisciplinary
R. Graham Cooks, Yunfei Feng, Kai-Hung Huang, Nicolas M. Morato, Lingqi Qiu
Summary: The article argues that mass spectrometry (MS) can be used sequentially for the three key steps in drug discovery: reaction screening, synthesis scale-up, and bioactivity assessment. The chosen ionization method, desorption electrospray ionization (DESI), is both an analytical technique and a procedure for small-scale synthesis. DESI is highly compatible with automation, allowing for high throughput in both synthesis and analysis.
ISRAEL JOURNAL OF CHEMISTRY
(2023)
Review
Chemistry, Analytical
Jyotirmoy Ghosh, R. Graham Cooks
Summary: Mass spectrometry (MS), a century-old analytical technique, is now being used as a preparative method. Electrospray deposition (ESD) of charged droplets generated by electrospray ionization (ESI) is an efficient way to form nanomaterials, including catalysts. By using mass-analyzed ions and performing ion soft landing (SL), higher chemical specificity in surface modification can be achieved, although this vacuum-based method is slow due to low ion currents. MS-based synthesis by ESD or SL provides advantages over traditional approaches, allowing control over material properties and surface patterning without the need for additives or reducing agents.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2023)
Review
Chemistry, Multidisciplinary
Nicolas M. Morato, R. Graham Cooks
Summary: Mass spectrometry (MS) is widely used in the chemical sciences for various applications such as monitoring reaction products, identifying disease biomarkers, and measuring thermodynamic parameters. Electrospray ionization (ESI) is a commonly used method to ionize polar compounds from solution. Desorption electrospray ionization (DESI) is a technique that directly generates ions from objects in the ambient environment. The simplicity and wide applicability of DESI revolutionized the analysis of complex materials for their organic components, particularly for in situ applications.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Lingqi Qiu, Mousumi Saha, Stefan Kraft, Eric T. Dziekonski, Christopher J. Welch, Yumin Dai, Andreas Kaerner, R. Graham Cooks
Summary: This study employs a rapid tandem mass-spectrometry method for determining water content in complex organic solutions, with a focus on trace-water analysis. Water is captured using a charge-labeled molecular probe, which selectively binds to the strongly electrophilic aldehyde site. This method allows for quantitative determinations over a wide concentration range with high accuracy and short analysis times.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Physics, Atomic, Molecular & Chemical
Eric T. Dziekonski, Gregory S. Eakins, R. Graham Cooks
Summary: In this study, an Arduino Uno microcontroller is used to control several electrical/electromechanical switches and the timing of all experimental subsystems in response to the instrument trigger output and a user selected operating mode. By calibrating and measuring the RF amplitude control signal in 1D mode, it is possible to calculate the applied RF amplitude in 2D mode, thereby allowing the user to determine relevant quadrupole operating parameters for a particular sample.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY
(2023)
Article
Chemistry, Analytical
Sangeeta Pandey, Yanyang Hu, Peter L. Anderson, Jennifer J. Kiser, R. Graham Cooks
Summary: We validate the concept of point-of-care assessment of long-term alcohol consumption by measuring phosphatidylethanol in blood/dried blood spots using nano-electrospray ionization and MS/MS with a miniature mass spectrometer. The levels of "abstinence", "moderate", and "chronic" consumption can be rapidly distinguished for both sample types, and quantitative analysis is achieved with blood samples (LoQ-100 ng mL(-1)).
