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Preprint ARTICLE | doi:10.20944/preprints202212.0506.v1

Chemophenetic Approach to Selected Senecioneae Species, Combining Morphometric and UHPLC-HRMS Analyses

Yulian Voynikov, Vessela Balabanova, Reneta Gevrenova, Dimitrina Zheleva-Dimitrova

Subject: Biology And Life Sciences, Plant Sciences Keywords: Senecio; Jacoboea; Orbitrap; chemophenetic; clustering; R

Online: 27 December 2022 (03:16:47 CET)

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Preprint ARTICLE | doi:10.20944/preprints202006.0111.v1

A Novel Family of Quadrupole-Orbitrap Mass Spectrometers for a Broad Range of Analytical Applications

Jan-Peter Hauschild, Amelia Corinne Peterson, Erik Couzijn, Eduard Denisov, Denis Chernyshev, Christian Hock, Hamish Stewart, Ralf Hartmer, Dmitry Grinfeld, Christian Thoeing, Bastian Reitemeier, Arne Kreutzmann, Oliver Lange, Wilko Balschun, Aivaras Venckus, Sebastian Kanngiesser, Alexander Kholomeev, Gregor Quiring, Frank Czemper, Eloy Wouters, Michael Belford, Mathias Mueller, Jens Grote, Tabiwang N. Arrey, Julia Kraegenbring, Kerstin Strupat, Siegrun Mohring, Catharina Crone, Alexander Harder, Aaron Robitaille, Aaron Gajadhar, Khatereh Motamed, Yang Liu, Daniel Lopez Ferrer, Nicolaie Eugen Damoc, Angela Criscuolo, Kristina Srzentic, Ed George, Charles Yang, Ioanna Ntai, Amanda Souza, Andreas Wieghaus, Alexander Makarov

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Orbitrap mass spectrometry; high resolution; accurate mass

Online: 8 June 2020 (10:17:36 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202109.0048.v1

UHPLC-Orbitrap-HRMS Identification of 51 Oleraceins (Cyclo-Dopa Amides) in Portulaca oleracea L. Cluster Analysis and MS2 Filtering by Mass Difference

Yulian Voynikov, Paraskev Nedialkov, Reneta Gevrenova, Dimitrina Zheleva-Dimitrova, Vessela Balabanova, Ivan Dimitrov

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: orbitrap; purslane; oleracein; diagnostic ion; diagnostic difference; clustering methods

Online: 2 September 2021 (16:01:52 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202304.0922.v1

Design and Implementation of an Orbitrap Mass Spectrometer Data Acquisition System for Atmospheric Molecule Identification

Wei Wang, Yongping Li

Subject: Engineering, Electrical And Electronic Engineering Keywords: data acquisition; Orbitrap mass spectrometry; spectrum analysis; FPGA; FFT analysis

Online: 25 April 2023 (10:29:05 CEST)

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Orbitrap mass spectrometers have been widely used in environmental component analysis . This paper presents an enhanced data acquisition system for in-situ detection of Orbitrap mass spectrometry, which enables in-suit real-time signal processing and analysis for atmospheric molecules with small mass numbers.During previous space atmospheric explorations, quadrupole mass spectrometry (QMS) was usually utilized for analyzing isotopic compositions and complicated compounds in the mixture. However, the inevitable ion scattering and drift during mass transfer, as well as the QMS attenuator loss, result in a relatively lower signal-to-noise ratio of the produced mass spectrum. In recent years, a novel mass spectrometer, called an Orbitrap mass spectrometer, has been gradually accepted and used because of its non-destructive detection ability, high mass resolution, and accuracy. Nevertheless, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) is preferred over the Orbitrap mass spectrometry for ground applications, especially for detecting low-mass components (e.g. below 50 atomic mass units) due to the former’s superior resolution. As the mass number decreases, the detection system demands a higher sampling and processing rate. Additionally, in ground-based scenarios, mass spectrometry analysis software on computers is often employed to analyze the signals. Therefore, in order to achieve in-situ detection of the space atmospheric environment using the Orbitrap mass spectrometer, this paper proposes a real-time signal acquisition and processing system for mass spectrometry analysis. The system comprises of signal conditioning circuits, analog-to-digital conversion circuits, programmable logic circuits, and related software. These components perform spectrum analysis and process the signal in real-time on hardware components, allowing for high-speed acquisition and analysis of the signals produced by the Orbitrap mass spectrometer.

Preprint ARTICLE | doi:10.20944/preprints202404.0992.v1

Efficient Quality Control of Peptide Pools

Gaby Bosc-Bierne, Shireen Ewald, Oliver J. Kreuzer, Michael G. Weller

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: peptide pools; quality control; UHPLC-UV-HRMS; relative quantification; substance confirmation; structure; cost efficiency; CEF; infectious diseases; orbitrap

Online: 15 April 2024 (14:56:29 CEST)

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Abstract: Peptide pools composed of short amino acid sequences have proven to be versatile tools in various research areas and clinical applications. They are powerful tools for epitope mapping, immunotherapy, and vaccine development. Their importance lies in their ability to map complex protein structures, enabling a comprehensive understanding of immune responses and facilitating the identification of potential therapeutic agents. The application of peptide pools also extends to the field of personalized medicine, offering tailored solutions for diseases such as cancer and infectious diseases. Peptide pools are complex mixtures of immunostimulatory antigens primarily intended for T-cell stimulation. They are commercially available in many different compositions and variants. However, unlike other reagents that consist of only one or a few compounds, peptide pools are highly complex products with limited stability. This makes their quality control a major challenge. Quantitative peptide analysis usually requires sophisticated methods, in most cases isotope-labeled standards and reference materials. None of these are routinely available for these products. Synthesis and purification of all labeled peptides might be required. Usually, this approach would be prohibitively laborious and expensive. Therefore, an approach is needed to provide a practical and feasible method for quality control of peptide pools. With insufficient quality control, the use of such products could lead to incorrect experimental results, which would worsen the well-known reproducibility crisis in the biomedical sciences. Here we propose the use of ultra-high performance liquid chromatography (UHPLC) with two detectors, a standard UV detector (at 214 nm) for quantitative analysis and a high-resolution mass spectrometer (HRMS) for identity confirmation. To be cost-efficient and fast, quantification and identification are performed in one chromatographic run. An optimized protocol is shown, and different peak integration methods are compared and discussed. This work was performed using a peptide pool known as CEF, which consists of 32 peptides derived from cytomegalovirus (CMV), Epstein-Barr virus (EBV) and influenza virus, ranging from 8 to 12 amino acids in length.

Preprint ARTICLE | doi:10.20944/preprints202302.0374.v2

Detection of Meteoritic Amino Acids in Extremely Small Sample Sizes: Implications for Sample Return Missions

Christian Potiszil, Masahiro Yamanaka, Tsutomu Ota, Ryoji Tanaka, Katsura Kobayashi, Eizo Nakamura

Subject: Biology And Life Sciences, Biology And Biotechnology Keywords: Carbonaceous chondrite; sample return; amino acid; ultrahigh performance liquid chromatography; Orbitrap-mass spectrometry; organic matter; astrobiology; origin of life

Online: 20 March 2023 (04:36:39 CET)

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Preprint ESSAY | doi:10.20944/preprints202309.0606.v1

Based on UHPLC-Q-Orbitrap HRMS, the Effect of Chemical Composition before and after Fermentation of Gastrodia Tuder Halimasch Powder Was Compared

Yaning Wu, Hongwei Zhang, Zhenling Zhang, Jianguang Zhu, Songbo Ma, Yongqi Zhao, Yiming Wang, Jun Yuan, Xing Guo, Yajing Li, Shuai Zhang

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: gastrodia tuder halimasch powder; ultra high performance liquid chromatography tan- 34 dem quadrupole electrostatic field orbitrap high resolution mass spectrometry; stoichiometry; fer- 35 mentation processing

Online: 8 September 2023 (12:39:53 CEST)

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