Review
Chemistry, Analytical
Roman S. Borisov, Mariya D. Matveeva, Vladimir G. Zaikin
Summary: In recent years, there has been a special focus on the use of reactive matrices in MALDI-MS, which have dual properties and have been applied in bioanalysis to reduce sample treatment time and improve sensitivity. True reactive matrices interact with molecules through exchange or addition reactions, enhancing molecular identification and profiling.
CRITICAL REVIEWS IN ANALYTICAL CHEMISTRY
(2021)
Article
Multidisciplinary Sciences
Nicholas J. J. Morehouse, Trevor N. N. Clark, Emily J. J. McMann, Jeffrey A. A. van Santen, F. P. Jake Haeckl, Christopher A. A. Gray, Roger G. G. Linington
Summary: Spectral matching of MS2 fragmentation spectra has limitations due to instrument differences and limited spectral reference libraries. To overcome this challenge, SNAP-MS uses structural similarity network annotation to assign compound families to molecular networking subnetworks without using experimental or calculated reference spectra. SNAP-MS accurately annotates subnetworks built from both reference spectra and an in-house microbial extract library, and predicts compound families from published molecular networks acquired using different MS instruments.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Analytical
Fatema Bhinderwala, Thao Vu, Thomas G. Smith, Julian Kosacki, Darrell D. Marshall, Yuhang Xu, Martha Morton, Robert Powers
Summary: This article discusses the importance of using multispectral approaches to improve the accuracy and convenience of metabolite assignments, as well as the common experiments used in metabolite assignments. It also explores the impact of 13C-labeled feedstocks like glucose on experimental results and the corresponding improvement methods.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Siyuan Qin, Yuxin Zhang, Yuan Tian, Fengguo Xu, Pei Zhang
Summary: Metabolomics, a technique profiling global small molecules in biological samples, has become crucial for disease diagnosis and mechanism research. Organelles in cells, where diverse metabolic activities happen orderly, play a significant role in various pathological conditions. Characterizing the metabolic pool in compartmentalized system is important for understanding the role of organelles in physiological functions and diseases.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2022)
Article
Biochemistry & Molecular Biology
Maria Pilar Giner, Stefan Christen, Simona Bartova, Mikhail Makarov, Marie E. Migaud, Carles Canto, Sofia Moco
Summary: NAD(+) and its reduced form NADH are essential coenzymes in hundreds of metabolic reactions, serving as substrates for key enzymes. Analyzing the NAD(+) metabolome using liquid chromatography-tandem mass spectrometry can provide insights into NAD(+) biology and its implications for health and disease.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Biochemical Research Methods
Michael J. Taylor, Andrey Liyu, Akos Vertes, Christopher R. Anderton
Summary: LAESI-MS is an emerging method with the potential to revolutionize metabolomics, offering the advantages of minimal sample preparation and in situ analysis with high spatial resolution for cells and tissues.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2021)
Article
Environmental Sciences
Daojie Liu, Yumin Liu, Ruibing Wang, Lei Feng, Li Xu, Chengyu Jin
Summary: In this study, the impact of PM2.5 on human lung epithelial cells was investigated using Raman spectroscopy and mass spectrometry. The results showed that exposure to PM2.5 reduced the levels of phenylalanine, tyrosine, and nucleotides, which play important roles in cellular growth. Furthermore, PM2.5 treatment affected phenylalanine, tyrosine metabolism, purine and pyrimidine metabolism, and energy metabolism, influencing cellular proliferation and other activities.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Review
Biochemistry & Molecular Biology
Jinap Selamat, Nur Amalyn Alyaa Rozani, Suganya Murugesu
Summary: Food product authentication is crucial for consumer protection, with metabolomics playing a key role in detecting deliberate adulterants or ingredients to ensure food authenticity. The review emphasizes the significance of metabolomics in successful food authentication processes and highlights areas for further exploration and improvement in research.
Article
Chemistry, Analytical
Laura Kronlachner, Johannes Frank, Erwin Rosenberg, Andreas Limbeck
Summary: Polymeric composite materials are increasingly important due to their versatility and adaptability. Current analysis methods cannot provide the necessary information on both organic and elemental constituents. This study presents a novel approach using laser ablation and concurrent measurements with EI-MS and ICP-OES to directly characterize the main components of solid polymer samples.
ANALYTICA CHIMICA ACTA
(2023)
Article
Chemistry, Analytical
Chiara Maria Vitale, Arjen Lommen, Carolin Huber, Kevin Wagner, Borja Garlito Molina, Rosalie Nijssen, Elliott James Price, Marco Blokland, Frederike van Tricht, Hans G. J. Mol, Martin Krauss, Laurent Debrauwer, Olga Pardo, Nuria Leon, Jana Klanova, Jean-Philippe Antignac
Summary: A set of QA/QC criteria for nontargeted measurement of pesticide exposure markers in human urine has been proposed and applied in the HBM4EU project. The criteria include monitoring signal intensities, mass accuracy, and retention times of selected markers. The results show high repeatability and accuracy of the data. This is the first time that harmonized QA/QC criteria have been used to assess the quality of nontargeted analysis of human samples across multiple laboratories.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Daniel Eilertz, Michael Mitterer, Joerg M. Buescher
Summary: This study presents an automated tool automRm for preprocessing of liquid chromatography-mass spectrometry data, which includes features such as using machine learning for chromatographic peak detection and quality control of results. The tool is generally applicable to a wide range of analytical methods and outperforms other software solutions when applied to a HILIC-MS data set.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Teresa S. McMillen, Andrew Leslie, Kenneth Chisholm, Susanne Penny, Jeffrey Gallant, Alejandro Cohen, Arik Drucker, James P. Fawcett, Devanand M. Pinto
Summary: This study presents a comprehensive and quantitatively robust method for metabolomic analysis, using HILIC and RP stationary phases combined with positive and negative electrospray ionization. The method allows for complete analysis of a single sample in as little as 40 minutes and has been validated with clinical samples.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biochemical Research Methods
John B. Coulton, James L. Edwards
Summary: The sample preparation technique described in the study involves online filter-assisted electroporation-based cell lysis and chilled organic solvent extraction for rapid preparation of metabolomic samples from suspended cells. By using isotopically labeled internal standards and C-13-glucose labeling experiments, the method ensures enzymatic quenching and successful incorporation of C-13 into organic acid metabolites. Analysis by nano-reverse-phase liquid chromatography-mass spectrometry (nano-RP-LC-MS) demonstrates the effectiveness of the technique in studying metabolites such as itaconate.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
Tusharkanti Ghosh, Daisy Philtron, Weiming Zhang, Katerina Kechris, Debashis Ghosh
Summary: The MaRR procedure was introduced to examine reproducibility in mass spectrometry-based metabolomics experiments, showing higher reproducibility for technical replicates compared to biological replicates across different datasets. The MaRR procedure tends to have high power for detecting reproducible metabolites in most situations, while in some cases it may perform less well.
BMC BIOINFORMATICS
(2021)
Article
Chemistry, Analytical
Yanwen Chen, Dejun Hu, Lisha Zhao, Weiwei Tang, Bin Li
Summary: This study developed a novel MALDI matrix for improved evaluation of metabolic alterations in the brain and serum of an AD mouse model. The research found that 93 metabolites in the brain and 81 metabolites in the serum exhibited changes in AD mice compared to the control group. The application of this method can enhance our understanding of the etiopathogenesis of AD.
ANALYTICA CHIMICA ACTA
(2022)
Article
Biochemical Research Methods
Veronika Solinova, Sille Stepanova, Andrej Jancarik, Jiri Klivar, Michal Samal, Irena G. Stara, Jana Vacek Chocholousova, Jaroslav Vacek, Ivo Stary, Vaclav Kasicka
Summary: Nonaqueous capillary electrophoresis combined with density functional theory has been used to determine the thermodynamic acidity constants of mono- and diaza[5]helicenes in methanol and water. The experimental results were found to be in good agreement with the theoretical calculations.
Article
Chemistry, Multidisciplinary
Ondrej Palata, Angelina Andronova, Michal Samal, Jindrich Nejedly, Jiri Rybacek, Milos Budesinsky, Lucie Bednarova, Lubomir Pospisil, Ivana Cisarova, Ivo Stary, Irena G. Stara
Summary: A series of inherently chiral di- and tetrathiahelicenes/dithiophenohelicenes were synthesized and their structural and physicochemical properties were studied and compared with other related compounds.
HELVETICA CHIMICA ACTA
(2022)
Article
Chemistry, Analytical
Petra Sazelova, Veronika Solinova, Tereza Schimperkova, Jiri Jiracek, Vaclav Kasicka
Summary: Chiral CE methods were used to separate and identify the configuration of the tyrosine residue in β-Ala-Tyr, and to evaluate the enantiopurity of its synthetic isomers and derivatives. The results showed that the isolated β-Ala-Tyr was pure L-enantiomer.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Multidisciplinary Sciences
Bhawana Israni, Katrin Luck, Samantha C. W. Roemhild, Bettina Raguschke, Natalie Wielsch, Yvonne Hupfer, Michael Reichelt, Ales Svatos, Jonathan Gershenzon, Daniel Giddings Vassao
Summary: Herbivorous insects possess the ability to detoxify chemical defenses from host plants. This study reveals that the fall armyworm regulates its response to DIMBOA through alternative splicing of the SfUGT33F28 transcript, which is mediated by an insect aryl hydrocarbon receptor. The splice variants of SfUGT33F28 interact with the full-length enzyme to modulate its UGT activity towards DIMBOA. Thus, the formation of splice variants induces or represses the DIMBOA-conjugating UGT activity in the presence or absence of DIMBOA, respectively.
SCIENTIFIC REPORTS
(2022)
Correction
Multidisciplinary Sciences
Bhawana Israni, Katrin Luck, Samantha C. W. Romhild, Bettina Raguschke, Natalie Wielsch, Yvonne Hupfer, Michael Reichelt, Ales Svatos, Jonathan Gershenzon, Daniel Giddings Vassao
SCIENTIFIC REPORTS
(2022)
Article
Biochemical Research Methods
Veronika Solinova, Petr Tuma, Maria Butnariu, Vaclav Kasicka, Dusan Koval
Summary: We present a method for finely adjustable electroosmotic flow (EOF) velocity in cathodic direction for the optimization of separations in capillary electrophoresis. The method involves surface modification of the separation fused silica capillary using a covalently attached copolymer to control the charge density and achieve adjustable EOF. The properties of EOF in the treated capillaries are observed and the importance of adjustable EOF in separations is demonstrated.
Article
Ecology
Rebekka S. Janke, Filip Kaftan, Sarah P. Niehs, Kirstin Scherlach, Andre Rodrigues, Ales Svatos, Christian Hertweck, Martin Kaltenpoth, Laura V. Florez
Summary: The cuticle is the first line of defense against predators and pathogens in invertebrates. In this study, it was found that the beetle Lagria villosa harbors bacterial symbionts in unique dorsal invaginations of its cuticle, which release protective compounds during molting and provide extended defense against fungi during larval development. One dominant bacterial strain, producing an antifungal compound called lagriamide, plays a crucial role in protecting the beetle from pathogenic fungi at all life stages.
Article
Chemistry, Physical
Daisuke Sakamoto, Isabel Gay Sanchez, Jiri Rybacek, Jaroslav Vacek, Lucie Bednarova, Marketa Pazderkova, Radek Pohl, Ivana Cisarova, Irena G. Stara, Ivo Stary
Summary: This study describes an asymmetric synthesis method for the preparation of optically pure and conformationally locked oxabenzo[5]helicenes. These compounds can be transformed into cycloiridated organometallics and exhibit excellent catalytic performance in asymmetric transfer hydrogenation reactions.
Article
Biochemical Research Methods
Nandhakumar Shanmugaraj, Twan Rutten, Ales Svatos, Thorsten Schnurbusch, Hans-Peter Mock
Summary: Sublimation is a preferred method for matrix deposition in high spatial resolution MALDI-MSI, but reproducibility and time are concerns. A lab-made glass sublimator with improved vacuum control and rapid sublimation process was developed in this study. The method produced reproducible matrix crystals of <1 μm on the sample surface and demonstrated its efficiency in MALDI-MSI of barley inflorescence meristems at 15 μm spatial resolution.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Chemistry, Multidisciplinary
Vaclav Houska, Egor Ukraintsev, Jaroslav Vacek, Jiri Rybacek, Lucie Bednarova, Radek Pohl, Irena G. Stara, Bohuslav Rezek, Ivo Stary
Summary: The synthesis of helically chiral macrocycles composed of dibenzo[5]helicene units and trans-stilbene-4,4'-diyl linkers is reported. Different stereoisomers of these macrocycles were obtained through chiral resolution. The self-assembly of these macrocycles into long 1D molecular stripes in ordered 2D nanocrystals was studied using AFM.
Article
Chemistry, Multidisciplinary
Tao Wang, Paula Angulo-Portugal, Alejandro Berdonces-Layunta, Andrej Jancarik, Andre Gourdon, Jan Holec, Manish Kumar, Diego Soler, Pavel Jelinek, David Casanova, Martina Corso, Dimas G. de Oteyza, Jan Patrick Calupitan
Summary: The coupling of a sterically demanded pentacene derivative on Au(111) into fused dimers connected by non-benzenoid rings was studied using high-resolution scanning tunneling microscopy/spectroscopy and density functional theory. The diradical character of the products was tuned by modifying the coupling section, with the antiaromaticity of cyclobutadiene and its position within the structure playing a significant role. Understanding these structure-property relationships is crucial for designing new complex and functional molecular structures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Multidisciplinary
Michal Samal, Jiri Rybacek, Jan Holec, Jan Hanus, Jaroslav Vacek, Milos Budesinsky, Lucie Bednarova, Pavel Fiedler, Michaela Sramova Slusna, Irena G. Stara, Ivo Stary
Summary: A series of push-pull amino-nitro [6]helicenes and a related [7]helicene derivative were synthesized and their properties were investigated. The compounds showed red-shifted UV-Vis spectra, pronounced dipole moments, altered chiroptical properties, and the ability to form nanocrystalline Langmuir-Blodgett films.
CHEMICAL COMMUNICATIONS
(2022)
