Article
Engineering, Environmental
Shangbo Zhou, Shuchan Peng, Zhiqiang Li, Daijun Zhang, Yantao Zhu, Xingquan Li, Mingyu Hong, Weichang Li, Peili Lu
Summary: The study found that microbial richness and diversity were significantly higher in sludge from impoundments compared to flowback water. There is a great potential for using indigenous microorganisms for biodegrading organic compounds in wastewater, and pretreatment of wastewater was effective in removing organic compounds. Additionally, highly toxic compounds can be effectively eliminated in reactors.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Chemistry, Analytical
Qing-Long Fu, Manabu Fujii, Akari Watanabe, Eunsang Kwon
Summary: This study developed a novel formula assignment algorithm based on isotope-labeled UHR-MS and applied it to determine the precursor molecules of halogenated disinfection byproducts. Electrophilic substitution was found to play a dominant role in chlorinated disinfection byproducts, and the formation of X-n-DBPs also involved secondary reactions.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Tobias Reinecke, Markus Leiminger, Alfons Jordan, Armin Wisthaler, Markus Mueller
Summary: Traditional PTR-MS is an effective method for measuring organic trace gases in air. However, recently developed ultrahigh sensitivity CIMS analyzers sacrifice unit ionization efficiency for certain analytes. This paper introduces a novel FUSION PTR-TOF 10k instrument that maintains the same universal unit response as conventional PTR-MS analyzers. It achieves high sensitivities and low detection limits, demonstrating sub-pptV detection capability.
ANALYTICAL CHEMISTRY
(2023)
Article
Environmental Sciences
Kurban A. Sitterley, JoAnn Silverstein, James Rosenblum, Karl G. Linden
Summary: The study demonstrates that well-acclimated microbial culture can effectively degrade a large portion of DOC in hydraulic fracturing wastewaters across a wide spectrum of TDS concentrations, indicating that biological treatment is a viable option for enabling reuse of produced water.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Engineering, Environmental
Yibei Wan, Chong Xing, Xinyu Wang, Zhaomin Yang, Xiangpeng Huang, Xinlei Ge, Lin Du, Qiongqiong Wang, Huan Yu
Summary: We present a data analysis workflow for nontarget tandem high-resolution mass spectrometry (MS) that allows for the comprehensive classification of functionalized organic compounds in complex atmospheric samples. With a single mass spectrometry run, the workflow provides molecular formula, functional group, and aromaticity information for a large percentage of deprotonated and protonated molecules. The assignment and quantification of functional groups can be used to trace the sources, formation, and aging of organic compounds in the atmosphere.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2022)
Article
Environmental Sciences
Guangsheng Qian, Pu Liu, Li Wei, Hamish Mackey, Tianwei Hao
Summary: In this study, two biological processes, an anaerobic/anoxic/moving bed biofilm reactor (A(2)-MBBR) and an A(2)-MBBR with a microfiltration membrane (A(2)-MFMBBR), were assessed for the treatment of hydraulic fracturing wastewater (HFW). The results showed that both processes were efficient in removing chemical oxygen demand (COD) and NH4+-N. The majority of organic compounds in both systems were degraded in the anaerobic units. A(2)-MFMBBR demonstrated higher removal efficiencies for oil, total suspended solids, and complex compounds. The study also found a high diversity of microorganisms in the membrane bioreactor (MBR), which contributed to the degradation of recalcitrant organics.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Environmental Sciences
Elyse Caron-Beaudoin, Kyle Powys Whyte, Maryse F. Bouchard, Jonathan Chevrier, Sami Haddad, Ray Copes, Katherine L. Frohlich, Dean Dokkie, Sonje Juul, Michele Bouchard, Marc-Andre Verner
Summary: The study found that pregnant women living in Northeastern British Columbia, Canada, where unconventional natural gas exploitation takes place, have higher exposure to VOCs compared to the general Canadian population, and this exposure is associated with well density/proximity.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Review
Spectroscopy
Sungjune Kim, Donghwi Kim, Maeng-Joon Jung, Sunghwan Kim
Summary: With the growing environmental and climate changes globally, there is an increasing interest in the molecular-level understanding of environmental organic compound mixtures. Studies have shown that ultrahigh resolution and sub-ppb level mass accuracy are crucial for analyzing complex environmental organic molecule mixtures, achievable using FT-ICR MS. However, challenges in sample preparation, ionization, structural identification, chromatographic separation, and data interpretation remain to be overcome.
MASS SPECTROMETRY REVIEWS
(2022)
Article
Energy & Fuels
Egor Dontsov, Roberto Suarez-Rivera
Summary: This study introduces a homogenization procedure for high resolution rock properties used in hydraulic fracture simulations. The procedure involves upscaling data for various rock properties and introducing corrections to account for differences in stress and fracture toughness. By validating the homogenization procedure with numerical examples, the study shows that using homogenization can significantly alter fracture geometry and enhance fracture height containment.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2021)
Article
Chemistry, Analytical
Caiming Tang, Guangshi Chen, Bin Jiang, Jianhua Tan, Yutao Liang, Hui Lin, Yanhong Zeng, Xiaojun Luo, Bixian Mai, Xianzhi Peng
Summary: This study developed a non-target analysis method for identifying and characterizing halogenated organic compounds (HOCs) in tap water, fly ash, soil, and sediment. The method utilized Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) with scripting data-processing approaches. The research provided informative insights into the pollution profiles of HOCs in the environment.
ANALYTICA CHIMICA ACTA
(2022)
Article
Engineering, Environmental
Seongyun Kim, Pinar Omur-Ozbe, Ken Carlson, Sangchul Lee, Eun-Sik Kim, Min-Jin Hwang, Ji-Hee Son, Woochul Kang
Summary: This study investigated the efficiency of different water treatment processes in reducing PG, EG, EGME, and other water quality parameters in flow back/produced water from a shale gas well operation. The results showed that GAC effectively removed PG and EG to acceptable drinking water levels, while electrocoagulation and ultrafiltration were effective at reducing turbidity and total petroleum hydrocarbons. Reverse osmosis was able to remove a significant amount of total dissolved solids.
Article
Chemistry, Multidisciplinary
Qian Zhang, Pingli Liu, Ying Xiong, Juan Du
Summary: This study conducted an experimental research on the self-generated organic acid system, and the results showed that acetic anhydride and ethyl acetate were suitable parent acid types. Ethyl acetate was found to have better ability in maintaining fracture conductivity in deep ultrahigh-temperature carbonate reservoirs compared to acetic anhydride.
Article
Biochemical Research Methods
Yuchen Liang, Wenya Hu, Changcheng Jia, Yinghao Wang, Chenglong Dong, Yan Cai, Qingqing Xie, Xiaowen Zhu, Yehua Han
Summary: An online coupling of solid-phase microextraction and ultrahigh-resolution mass spectrometry was developed for rapid screening of eight PBDEs in water samples. This method was completed in 22 minutes, about 6 times faster than the routine workflow. Thermal desorption and solvent-assisted atmospheric pressure chemical ionization were developed for the effective coupling of solid-phase microextraction with ultrahigh-resolution mass spectrometry, which enhanced the signal intensity and made the methodology feasible for environmental screening.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Chao Liu, Jiafa Zeng, Pablo Sinues, Mingliang Fang, Zhen Zhou, Xue Li
Summary: SESI-HRMS is a direct mass spectrometry technique that can identify trace VOCs in real time, but further development of absolute quantification methods is needed.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Applied
Xiaoyu Xie, Xin Lu, Xiuqiong Zhang, Fujian Zheng, Di Yu, Chao Li, Sijia Zheng, Bo Chen, Xinyu Liu, Ming Ma, Guowang Xu
Summary: A systematic method for comprehensive analysis of carboxyl compounds in Chinese Baijiu was established, and 197 p-dimethylaminophenacyl bromide-derived carboxylic compounds were annotated for the first time. The study found that the number and concentration of carboxyl compounds were more abundant in sauce-flavor Baijiu.
Article
Chemistry, Physical
Imane Ellouzi, Souad El Hajjaji, Mourad Harir, Philippe Schmitt-Kopplin, Didier Robert, Larbi Laanab
Summary: New multidoped TiO2 nanomaterials with potential photochemical response were synthesized via an uncomplicated sol-gel process. The doped nanomaterials exhibited smaller crystallite size, larger surface area, and visible light absorption compared to undoped TiO2 P-25. Under visible light irradiation, the doped TiO2 nanomaterials showed 2 to 3 times higher photochemical response than TiO2 P-25, and the photocatalytic efficiency depended on the type and dosage of dopants. The synergistic effect of S, N, C, and Fe significantly influenced the crystalline structure, optical properties, pore volume, and surface area.
JOURNAL OF DISPERSION SCIENCE AND TECHNOLOGY
(2023)
Article
Environmental Sciences
Siyu Li, Mourad Harir, Philippe Schmitt-Kopplin, Michael Gonsior, Alex Enrich-Prast, David Bastviken, Juliana Valle, Fausto Machado-Silva, Norbert Hertkorn
Summary: This study investigates the processing of dissolved organic matter (DOM) in the Amazon basin using advanced analytical techniques. The study reveals the effects of different processes on the chemical composition and structural characteristics of black, white, and clear water systems. The findings suggest that the sources of DOM and the mechanisms of its transformation vary between different rivers in the Amazon basin.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)
Review
Oceanography
Xilin Xiao, Youhei Yamashita, Michael Gonsior, Nianzhi Jiao
Summary: The source and production mechanism of refractory dissolved organic matter (RDOM) in the ocean remains uncertain, but its biological origin has been recognized as the microbial carbon pump (MCP). Developing a proxy to evaluate the efficiency of MCP production of RDOM is desirable, and the linear correlation between marine humic-like fluorescent dissolved organic matter (FDOMH) and apparent oxygen utilization (AOU) shows promise in exploring this relationship. This article discusses the possibility of using the slope of the AOU-FDOMH correlation as an indicator for evaluating MCP efficiency in the dark ocean. It summarizes the general results and factors that may affect this relationship based on a review of peer-reviewed literature, and proposes future studies to make the AOU-FDOMH relationship globally comparable and applicable for better understanding the sources and sinks of FDOMH and its link to heterotrophic microbial respiration, namely the FDOM-based MCP efficiency.
PROGRESS IN OCEANOGRAPHY
(2023)
Article
Multidisciplinary Sciences
Philippe Schmitt-Kopplin, Marco Matzka, Alexander Ruf, Benedicte Menez, Hasnaa Chennaoui Aoudjehane, Mourad Harir, Marianna Lucio, Jasmine Hertzog, Norbert Hertkorn, Regis D. Gougeon, Victor Hoffmann, NancyW. Hinman, Ludovic Ferriere, Ansgar Greshake, Zelimir Gabelica, Laszlo Trif, Andrew Steele
Summary: This study reveals a wide range of organic compounds in the Tissint Mars meteorite, showing nonuniform distribution in functionality and abundance. The organics in Tissint meteorite include abundant C3-7 aliphatic branched carboxylic acids and aldehydes, olefins, and polyaromatics with and without heteroatoms, forming a homologous oxidation structural continuum. Organomagnesium compounds are highly abundant in olivine macrocrystals and melt veins, indicating specific organo-synthesis processes in close interaction with magnesium silicates and temperature stresses. The diversity and abundance of complex molecules suggest heterogeneity in organic speciation within the martian mantle and crust over geological time.
Article
Microbiology
Yufeng Jia, Madeline Lahm, Qi Chen, Leanne Powers, Michael Gonsior, Feng Chen
Summary: Thaumarchaeota are ammonia-oxidizing archaea that can fix inorganic carbon to produce organic matter in the dark. They have high abundance and distinct physiological traits, highlighting their significant ecological roles in the open ocean.
MICROBIOLOGY SPECTRUM
(2023)
Article
Ecology
Marko Bertic, Franziska Orgel, Silvia Gschwendtner, Michael Schloter, Franco Moritz, Philippe Schmitt-Kopplin, Ina Zimmer, Matthias Fladung, Joerg-Peter Schnitzler, Hilke Schroeder, Andrea Ghirardo
Summary: The chemical diversity of leaf hosts and the insect microbiota play important roles in the nutrition and fitness of leaf-feeding insects. However, there is still limited understanding of how these factors impact insect nutrition and fitness. This study investigated the effects of leaf metabolic composition on insect herbivory resistance and performance, and found that feeding insects with leaves enriched in secondary metabolites and depleted in primary metabolites impaired their performance and mortality. The study highlights the importance of oak leaf chemical composition to insect digestion and fitness.
FUNCTIONAL ECOLOGY
(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
Archaeology
Jasmine Hertzog, Hitomi Fujii, Rugile Zostautaite, Agnes Lattuati-Derieux, Pascale Richardin, Vincent Carre, Frederic Aubriet, Philippe Schmitt-Kopplin
Summary: Deciphering the biomolecular composition of archaeological organic materials is important for understanding ancient civilizations. This study used FTICR MS in combination with GC-MS and infrared spectroscopy to analyze embalming materials from Egyptian crocodile mummies. FTICR MS provided complementary information and advantages over GC-MS, such as easier sample preparation and detection of higher-mass compounds. The results confirmed the use of pine resin, beeswax, and animal and vegetal fat in the embalming process, and also assessed the oxidation of the samples. FTICR MS is a valuable tool for quickly analyzing biomolecular fingerprints and assessing sample degradation in archaeological materials.
JOURNAL OF ARCHAEOLOGICAL SCIENCE-REPORTS
(2023)
Article
Environmental Sciences
Siyu Li, Mourad Harir, Philippe Schmitt-Kopplin, Fausto Machado-Silva, Michael Gonsior, David Bastviken, Alex Enrich-Prast, Juliana Valle, Norbert Hertkorn
Summary: Positive and negative electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry and H-1 NMR were used to investigate the compositional and structural changes of dissolved organic matter (DOM) at Amazon confluence sites. Major structural transformations were observed in the case of mixing water from the Solimoes and Negro Rivers (S + N), while minor alterations were found in the case of mixing water from the Amazon and Tapajo's Rivers (A + T). The results also showed that the structural changes were dependent on incubation time, with reversing alterations observed after 1-day to 5-day incubation.
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
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.