Article
Environmental Sciences
Erin N. MacDonald, Suzanne E. Tank, Steven Kokelj, Duane G. Froese, Ryan H. S. Hutchins
Summary: This study used ultrahigh-resolution mass spectrometry to characterize DOM derived from different permafrost end-member types in the western Canadian Arctic, revealing significant variation in DOM composition among the permafrost end-member types. The unique compound characteristics of DOM from various permafrost end-member types are primarily influenced by the parent materials of the permafrost.
ENVIRONMENTAL RESEARCH LETTERS
(2021)
Article
Environmental Sciences
Meilian Chen, Chaoliu Li, Robert G. M. Spencer, Nagamitsu Maie, Jin Hur, Amy M. McKenna, Fangping Yan
Summary: Alpine rivers in the Tibetan Plateau exhibit a decreasing trend of dissolved organic matter (DOM) quantity and an increasing trend of aromaticity from the northern to southern plateau, influenced by dust load, precipitation, and vegetation. Proglacial streams are dominated by tyrosine-like fluorescent DOM, while main stems of rivers within larger catchment areas are controlled by humic-like fluorescent DOM. The presence of condensed aromatics in riverine DOM suggests anthropogenic black soot pollution, and seasonal variations in DOM amount and characteristics indicate heterogeneous land cover, anthropogenic activities, and climatic factors at play on the highest plateau on Earth.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Environmental Sciences
Chen He, Yuanbi Yi, Ding He, Ruanhong Cai, Chunmao Chen, Quan Shi
Summary: Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has been widely used to analyze the molecular composition of dissolved organic matter (DOM) in different ecosystems. This study compared 67 DOM samples from various ecosystems, revealing significant variations in the molecular composition of DOM among different ecosystems. The results provide insights into the biogeochemical cycling of DOM and highlight the need for a comprehensive molecular fingerprint database of DOM across a wider range of ecosystems.
JOURNAL OF ENVIRONMENTAL MANAGEMENT
(2023)
Article
Environmental Sciences
Ying Wu, Boris P. Koch, Xiaona Wang, Matthias Witt, Xiaolu Wang, Hongyan Bao, Shuchai Gan, Gerhard Kattner, Jing Zhang
Summary: Understanding the composition and transformation of dissolved organic matter (DOM) in river systems is crucial for predicting the impact of human activities. This study used advanced techniques to analyze the chemical differences of DOM collected from different regions in the Changjiang basin. The results showed that land-use practices and human activities significantly influenced the quality and composition of DOM, and seasonal variations also played a role in altering the DOM composition and riverine carbon flux in anthropogenically disturbed river systems.
FRONTIERS IN MARINE SCIENCE
(2022)
Article
Engineering, Environmental
Xiaodong Li, Jialun Shen, Huizhen Cao, Wenwen Zhang, Zongquan Sun, Fujun Ma, Qingbao Gu
Summary: Persulfate (PS)-based advanced oxidation technology can effectively remediate organically contaminated groundwater by inducing structural transformation of dissolved organic matter (DOM). This study comprehensively analyzed the changes in structural characteristics of DOM during PS oxidation, using optical spectroscopy and high-resolution mass spectrometry. The results showed a reduction in aromaticity and molecular weight of DOM, with different trends observed in different DOM components. The sequential oxidation responses of functional groups and the transformation pathways of DOM were also uncovered.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Engineering, Environmental
Dennys Leyva, Muhammad Usman Tariq, Rudolf Jaffe, Fahad Saeed, Francisco Fernandez-Lima
Summary: Dissolved Organic Matter (DOM) is a significant component of the global carbon cycle. This study used high-resolution mobility and ultrahigh-resolution Fourier transform ion cyclotron resonance tandem mass spectrometry (FT-ICR MS/MS) to compare four solid phase extracted (SPE) DOM samples from three freshwater ecosystems. Comparison of structural families revealed dissimilarities in the structural footprint of the samples. Inclusion of isomeric content in the structural family description suggested additional transformation pathways and/or source variations.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Environmental Sciences
Xinyi Huang, Yuzhen Liang, Qianting Ye, Zecong Ding, Fu Liu, Zhenqing Shi
Summary: The molecular fractionation of dissolved organic matter (DOM) at the mineral-liquid interfaces in soil changes its molecular composition, thus affecting its reactivity, such as proton and metal binding properties. Understanding the compositional changes of DOM molecules after adsorptive fractionation by minerals is crucial for predicting the cycling of organic carbon (C) and metals in the ecosystem.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Article
Engineering, Environmental
Yingxin Shang, Zhidan Wen, Kaishan Song, Ge Liu, Fengfa Lai, Lili Lyu, Sijia Li, Hui Tao, Junbin Hou, Chong Fang, Chen He, Quan Shi, Ding He
Summary: This study demonstrates the diverse sources and compositions for humic-rich lakes and protein-rich lakes in large-scale regions across China, linking them to optical components and molecular high-resolution mass spectrometry properties.
Article
Engineering, Environmental
Yingxin Shang, Zhidan Wen, Kaishan Song, Ge Liu, Fengfa Lai, Lili Lyu, Sijia Li, Hui Tao, Junbin Hou, Chong Fang, Chen He, Quan Shi, Ding He
Summary: DOM is crucial for the global carbon biogeochemical cycle in aquatic ecosystems, with diverse sources and compositions across different lake regions. Humic-rich lakes exhibit more complex molecular compositions and higher aromaticity compared to protein-rich lakes.
Article
Environmental Sciences
M. Behnke, W. McClelland, S. E. Tank, A. M. Kellerman, R. M. Holmes, N. Haghipour, T. Eglinton, P. A. Raymond, A. Suslova, A. Zhulidov, T. Gurtovaya, N. Zimov, S. Zimov, E. A. Mutter, E. Amos, R. G. M. Spencer
Summary: Climate change is significantly impacting Arctic ecosystems, altering the sources, composition, and fate of riverine dissolved organic matter in the Arctic Ocean. DOM composition shows synchrony and stability across the pan-Arctic, with potential changes in sources and export anticipated with future warming.
GLOBAL BIOGEOCHEMICAL CYCLES
(2021)
Article
Green & Sustainable Science & Technology
Yunkun Qian, Jun Guo, Yijun Shi, Yanan Chen, Xinyi Wang, Jiaxin Ma, Dong An
Summary: The recycling of sedimentation sludge water supernatant to drinking water treatment plants can recycle dissolved organic matter (DOM), which can react with chlorine to form disinfection by-products (DBPs). However, the chlorinated DBPs formed from DOM are not well understood. This study characterized the DOM and chlorinated DBPs during the chlorination of sedimentation sludge water using mass spectrometry. The results showed that aromatic compounds and oxidized molecules preferentially reacted with chlorine to form aromatic DBPs. The unknown non-nitrogenous Cl-DBPs contained a large amount of aromatic ring structure, which easily reacted with chlorine. Understanding the transformation of DOM and characteristics of unknown Cl-DBPs can help develop treatment strategies to minimize the formation of DBPs in recycled sedimentation sludge water and improve the understanding of unknown DBPs and their precursors in drinking water sources.
JOURNAL OF CLEANER PRODUCTION
(2022)
Article
Environmental Sciences
Huixia Han, Yujie Feng, Jing Chen, Qiaorong Xie, Shuang Chen, Ming Sheng, Shujun Zhong, Wan Wei, Sihui Su, Pingqing Fu
Summary: The study found that after acidification, the quantity and intensity of aromatic compounds with high oxygen content in soil, seawater, and atmospheric aerosol samples were significantly enhanced, while highly saturated compounds were reduced or absent. The effect of acidification on the molecular composition of DOM depends on the original environmental media of the samples.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Geochemistry & Geophysics
Pei Wang, Yang Ding, Yuzhen Liang, Minqin Liu, Xiaofeng Lin, Qianting Ye, Zhenqing Shi
Summary: This study investigated the link between molecular composition and the proton and Cu binding ability of dissolved organic matter (DOM) using FT-ICR-MS analysis and theoretical modeling approaches. Despite the complexity of DOM composition, molecules can be divided into three representative groups with distinct chemical properties, providing a new approach for developing mechanistic models for metal reactions with DOM.
GEOCHIMICA ET COSMOCHIMICA ACTA
(2021)
Article
Environmental Sciences
Martin R. Kurek, Aron Stubbins, Travis W. Drake, Thorsten Dittmar, Jose M. S. Moura, R. Max Holmes, Helena Osterholz, Johan Six, Jose N. Wabakanghanzi, Bienvenu Dinga, Miyuki Mitsuya, Robert G. M. Spencer
Summary: The study compares the composition of dissolved organic matter (DOM) in the Congo and Amazon rivers. The results show that the quality of DOM in the Congo River remains stable across different hydrological conditions, while the composition of DOM in the Amazon River is highly susceptible to changes in hydrology. The DOM in the Congo River is more terrestrial in nature, while the DOM in the Amazon River is more characteristic of aquatic DOM. Additionally, the Congo River is more efficient in exporting specific formulae compared to other rivers.
GLOBAL BIOGEOCHEMICAL CYCLES
(2022)
Article
Engineering, Environmental
Meng Wu, Pengfa Li, Guilong Li, Kai Liu, Guozhen Gao, Shiyu Ma, Cunpu Qiu, Zhongpei Li
Summary: Understanding the chemical composition and molecular transformation of soil dissolved organic matter (DOM) is crucial for the global carbon cycle. This study used ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) to analyze DOM molecules in 36 paddy soils from subtropical China. By investigating the trade-offs and molecular transformations, the study revealed thermodynamically favorable and limited processes, and highlighted the role of external energy in the molecular transformation of soil DOM.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Analytical
Leopold Weidner, Daniel Hemmler, Michael Rychlik, Philippe Schmitt-Kopplin
Summary: Mass spectrometry is an effective tool for studying the effects of food processing. A miniaturized setup was developed to monitor aerosols and volatiles online during thermal food processing. The setup offers high resolution and real-time analysis, providing advanced insights into food processing.
ANALYTICAL CHEMISTRY
(2023)
Article
Agriculture, Multidisciplinary
Sofia Tachtalidou, Panagiotis Arapitsas, Marie-Jose Penouilh, Franck Denat, Philippe Schmitt-Kopplin, Regis D. Gougeon, Maria Nikolantonaki
Summary: Bisulfite (HSO3-) is the main form of sulfur dioxide in wine under acidic pH, and its reaction with thiols and flavanols has been found to play a key role in wine preservation against oxidation. This study investigated the kinetics and stability of sulfonation reactions of thiols and flavanols under simulated wine aging conditions. The results showed that the presence of iron and oxygen promoted the sulfonation reactions, and the sulfonation derivatives were more prevalent in aged wines. These findings provide new insights for the precise use of sulfur dioxide in winemaking.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2023)
Article
Biochemical Research Methods
Bastian Blume, Vera Schwantes, Michael Witting, Heiko Hayen, Philippe Schmitt-Kopplin, Patrick O. Helmer, Bernhard Michalke
Summary: Parkinson's disease (PD) is characterized by the loss of dopaminergic neurons in the substantia nigra pars compacta region of the brain. The cause and mechanisms of this specific localized neurodegeneration are currently unknown. However, experimental evidence suggests a link between PD progression and imbalanced metal homeostasis, specifically involving reactive oxygen species. This study used Caenorhabditis elegans as a model organism to investigate the cellular response to imbalanced metal homeostasis associated with neurodegenerative diseases.
JOURNAL OF PROTEOME RESEARCH
(2023)
Article
Engineering, Chemical
Philipp H. Egbers, Christian Zurhelle, Boris P. Koch, Alexandra Duerwald, Tilmann Harder, Jan Tebben
Summary: Siderophores, key molecules in iron uptake and regulation of microorganisms, can be selectively purified from complex samples using titanium dioxide affinity chromatography (TDAC) solid-phase extraction (SPE) with high recovery rates. This method allows for straightforward identification of siderophores and has been successfully used to discover novel siderophores from bacterial supernatants.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Multidisciplinary Sciences
Hiroshi Naraoka, Yoshinori Takano, Jason P. Dworkin, Yasuhiro Oba, Kenji Hamase, Aogu Furusho, Nanako O. Ogawa, Minako Hashiguchi, Kazuhiko Fukushima, Dan Aoki, Philippe Schmitt-Kopplin, Jose C. Aponte, Eric T. Parker, Daniel P. Glavin, Hannah L. McLain, Jamie E. Elsila, Heather V. Graham, John M. Eiler, Francois-Regis Orthous-Daunay, Cedric Wolters, Junko Isa, Veronique Vuitton, Roland Thissen, Saburo Sakai, Toshihiro Yoshimura, Toshiki Koga, Naohiko Ohkouchi, Yoshito Chikaraishi, Haruna Sugahara, Hajime Mita, Yoshihiro Furukawa, Norbert Hertkorn, Alexander Ruf, Hisayoshi Yurimoto, Tomoki Nakamura, Takaaki Noguchi, Ryuji Okazaki, Hikaru Yabuta, Kanako Sakamoto, Shogo Tachibana, Harold C. Connolly, Dante S. Lauretta, Masanao Abe, Toru Yada, Masahiro Nishimura, Kasumi Yogata, Aiko Nakato, Miwa Yoshitake, Ayako Suzuki, Akiko Miyazaki, Shizuho Furuya, Kentaro Hatakeda, Hiromichi Soejima, Yuya Hitomi, Kazuya Kumagai, Tomohiro Usui, Tasuku Hayashi, Daiki Yamamoto, Ryota Fukai, Kohei Kitazato, Seiji Sugita, Noriyuki Namiki, Masahiko Arakawa, Hitoshi Ikeda, Masateru Ishiguro, Naru Hirata, Koji Wada, Yoshiaki Ishihara, Rina Noguchi, Tomokatsu Morota, Naoya Sakatani, Koji Matsumoto, Hiroki Senshu, Rie Honda, Eri Tatsumi, Yasuhiro Yokota, Chikatoshi Honda, Tatsuhiro Michikami, Moe Matsuoka, Akira Miura, Hirotomo Noda, Tetsuya Yamada, Keisuke Yoshihara, Kosuke Kawahara, Masanobu Ozaki, Yu-ichi Iijima, Hajime Yano, Masahiko Hayakawa, Takahiro Iwata, Ryudo Tsukizaki, Hirotaka Sawada, Satoshi Hosoda, Kazunori Ogawa, Chisato Okamoto, Naoyuki Hirata, Kei Shirai, Yuri Shimaki, Manabu Yamada, Tatsuaki Okada, Yukio Yamamoto, Hiroshi Takeuchi, Atsushi Fujii, Yuto Takei, Kento Yoshikawa, Yuya Mimasu, Go Ono, Naoko Ogawa, Shota Kikuchi, Satoru Nakazawa, Fuyuto Terui, Satoshi Tanaka, Takanao Saiki, Makoto Yoshikawa, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: The Hayabusa2 spacecraft successfully collected samples from the surface of the asteroid Ryugu and brought them back to Earth. Analyzing the organic molecules extracted from the samples, researchers found a variety of compounds formed by different reactions. These compounds, including amino acids and polycyclic aromatic hydrocarbons, are likely of non-biological origin and could have been formed through aqueous reactions on Ryugu's parent body, similar to organics found in meteorites.
Article
Plant Sciences
Sophie Trouvelot, Christelle Lemaitre-Guillier, Julie Vallet, Lucile Jacquens, Antonin Douillet, Mourad Harir, Philippe Larignon, Chloe Roullier-Gall, Philippe Schmitt-Kopplin, Marielle Adrian, Florence Fontaine
Summary: In the past, grapevine trunk diseases (GTDs) were controlled by treatments with sodium arsenite, but due to its banning, effective methods for GTDs management are lacking. This study investigates the effect of sodium arsenite on woody tissues, revealing its impact on both plant metabolome and structural barriers. The findings suggest that sodium arsenite stimulates plant secondary metabolites in wood, enhancing its fungicide effect and influencing phytotoxin patterns. This study contributes to a better understanding of the mode of action of sodium arsenite, aiding the development of sustainable strategies for GTDs management.
FRONTIERS IN PLANT SCIENCE
(2023)
Article
Geosciences, Multidisciplinary
Minako Hashiguchi, Dan Aoki, Kazuhiko Fukushima, Hiroshi Naraoka, Yoshinori Takano, Jason P. Dworkin, Karin E. Dworkin, Jose C. Aponte, Jamie E. Elsila, John M. Eiler, Yoshihiro Furukawa, Aogu Furusho, Daniel P. Glavin, Heather V. Graham, Kenji Hamase, Norbert Hertkorn, Junko Isa, Toshiki Koga, Hannah L. McLain, Hajime Mita, Yasuhiro Oba, Nanako O. Ogawa, Naohiko Ohkouchi, Francois-Regis Orthous-Daunay, Eric T. Parker, Alexander Ruf, Saburo Sakai, Philippe Schmitt-Kopplin, Haruna Sugahara, Roland Thissen, Veronique Vuitton, Cedric Wolters, Toshihiro Yoshimura, Hisayoshi Yurimoto, Tomoki Nakamura, Takaaki Noguchi, Ryuji Okazaki, Hikaru Yabuta, Kanako Sakamoto, Shogo Tachibana, Toru Yada, Masahiro Nishimura, Aiko Nakato, Akiko Miyazaki, Kasumi Yogata, Masanao Abe, Tomohiro Usui, Makoto Yoshikawa, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Satoru Nakazawa, Sei-ichiro Watanabe, Yuichi Tsuda
Summary: We performed in-situ analysis on a 1 mm-sized grain A0080 returned by Hayabusa2 spacecraft to investigate the relationship of soluble organic matter (SOM) to minerals. The distribution of different compound classes of SOM and alkylated homologues exhibited a heterogeneous spatial distribution on the sample surface. The A0080 sample showed mineralogy similar to an Ivuna-type carbonaceous chondrite and contained two different lithologies. CHN compounds were more concentrated in one lithology, while CHO, CHO-Na, and CHNO compounds were distributed in both lithologies. The spatial distribution of SOM is likely influenced by interactions with minerals and fluid activity.
EARTH PLANETS AND SPACE
(2023)
Article
Genetics & Heredity
Yongtao Han, Amira Haouel, Elisabeth Georgii, Santiago Priego-Cubero, Christoph J. Wurm, Daniel Hemmler, Philippe Schmitt-Kopplin, Claude Becker, Joerg Durner, Christian Lindermayr
Summary: Histone deacetylation by HD2A and HD2B regulates gene expression and ABA biosynthesis, leading to enhanced drought resistance in Arabidopsis. The hd2ahd2b mutant displays hypersensitivity to exogenous ABA and shows upregulation of ABA-responsive genes and H4K5ac levels. HD2A/HD2B directly bind to specific ABA-responsive genes and repress ABA biosynthesis by deacetylating H4K5ac at NCED9. These findings highlight the important role of HD2A and HD2B in ABA signaling and their negative regulation in drought resistance.
Article
Plant Sciences
Olivier Fernandez, Christelle Lemaitre-Guillier, Aurelie Songy, Guillaume Robert-Siegwald, Marc-Henri Lebrun, Philippe Schmitt-Kopplin, Philippe Larignon, Marielle Adrian, Florence Fontaine
Summary: Grapevine trunk diseases pose a global threat to vineyards. These diseases are caused by multiple pathogenic microorganisms and have a long latent phase. Combined abiotic stresses exacerbate disease symptoms, especially with less virulent pathogens.
Article
Chemistry, Multidisciplinary
Philippe Diederich, Thomas Geisberger, Yingfei Yan, Christian Seitz, Alexander Ruf, Claudia Huber, Norbert Hertkorn, Philippe Schmitt-Kopplin
Summary: The authors report the formation of acetaldehydes and higher condensation products from a reaction between acetylene and carbon monoxide catalyzed by nickel sulfide under hydrothermal conditions. This finding is important for understanding the synthesis of aldehydes in the early Earth.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Toshihiro Yoshimura, Yoshinori Takano, Hiroshi Naraoka, Toshiki Koga, Daisuke Araoka, Nanako O. Ogawa, Philippe Schmitt-Kopplin, Norbert Hertkorn, Yasuhiro Oba, Jason P. Dworkin, Jose C. Aponte, Takaaki Yoshikawa, Satoru Tanaka, Naohiko Ohkouchi, Minako Hashiguchi, Hannah Mclain, Eric T. Parker, Saburo Sakai, Mihoko Yamaguchi, Takahiro Suzuki, Tetsuya Yokoyama, Hisayoshi Yurimoto, Tomoki Nakamura, Takaaki Noguchi, Ryuji Okazaki, Hikaru Yabuta, Kanako Sakamoto, Toru Yada, Masahiro Nishimura, Aiko Nakato, Akiko Miyazaki, Kasumi Yogata, Masanao Abe, Tatsuaki Okada, Tomohiro Usui, Makoto Yoshikawa, Takanao Saiki, Satoshi Tanaka, Fuyuto Terui, Satoru Nakazawa, Sei-ichiro Watanabe, Yuichi Tsuda, Shogo Tachibana, Kenji Hamase, Aogu Furusho, Kazuhiko Fukushima, Dan Aoki, Daniel P. Glavin, Hannah L. Mclain, Jamie E. Elsila, Heather V. Graham, John M. Eiler, Alexander Ruf, Francois-Regis Orthous-Daunay, Cedric Wolters, Junko Isa, Mayu Morita, Veronique Vuitton, Roland Thissen, Shin-ichiro M. Nomura, Haruna Sugahara, Hajime Mita, Yoshihiro Furukawa, Yoshito Chikaraishi, Morihiko Onose, Fumie Kabashima, Kosuke Fujishima, Hajime Sato, Kazunori Sasaki, Kuniyuki Kano, Junken Aoki, Tomoya Yamazaki, Yuki Kimura
Summary: Samples from asteroid Ryugu provide insights into the chemical evolution of organic molecules in the early solar system. The presence of sulfur-bearing soluble compounds suggests their role in the molecular evolution of prebiotic organic material.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Philippe Diederich, Alexander Ruf, Thomas Geisberger, Leopold Weidner, Christian Seitz, Wolfgang Eisenreich, Claudia Huber, Philippe Schmitt-Kopplin
Summary: Chemical complexity is crucial for the origin of life and biological evolution. The chemical evolution of a complex prebiotic mixture containing acetylene, carbon monoxide, and nickel sulfide has been analyzed using mass spectrometry. Isotopic labeling reveals the presence of diverse compounds within the reaction mixture. Different degrees of labeling enable robust characterization of functional groups. The study also reveals a characteristic addition pattern and a high diversity of sulfur-containing compounds. The temporal analysis provides insights into the role of sulfur in the origin of life.
COMMUNICATIONS CHEMISTRY
(2023)
Article
Endocrinology & Metabolism
Liesa Salzer, Philippe Schmitt-Kopplin, Michael Witting
Summary: This study compared the application of capillary electrophoresis coupled to mass spectrometry (CE-MS) and hydrophilic interaction liquid chromatography coupled to mass spectrometry (HILIC-MS) for the analysis of polar metabolites in C. elegans. The results showed that CE-MS exhibited better performance in terms of separation, peak width, and linearity, and provided complementary information compared to HILIC-MS. CE-MS was successfully applied to recover known metabolites and identify novel putative biomarkers of longevity in C. elegans.
Article
Geosciences, Multidisciplinary
John E. Garzon-Cardona, Ana M. Martinez, Boris P. Koch, Bernd Krock, Elbio D. Palma, Xianyu Kong, Ruben J. Lara
Summary: This study aimed to gain a better understanding of the role of dissolved organic matter (DOM) in the biogeochemistry of the Southern Patagonian shelf. The results showed that terrigenous input is the main source of ammonium and refractory carbon in the region, while the Antarctic Circumpolar Current contributes autochthonous DOM. Additionally, regeneration processes of nitrogen-rich water were found in the Tierra del Fuego Waters and Grande Bay regions.
JOURNAL OF MARINE SYSTEMS
(2024)
Article
Biochemical Research Methods
Leopold Weidner, Daniel Hemmler, Michael Rychlik, Philippe Schmitt-Kopplin
Summary: We developed DBDIpy, a Python library for processing and analyzing untargeted, time-sensitive plasma ionization MS datasets. It is capable of identifying in-source fragments and rivaling ionization pathways of the same analytes in time-sensitive datasets. DBDIpy also includes basic functions for processing untargeted metabolomics data and interfaces to existing tools for MS data analysis in Python.