Article
Engineering, Environmental
Emmanuel Davila-Santiago, Cheng Shi, Gouri Mahadwar, Bridgette Medeghini, Logan Insinga, Rebecca Hutchinson, Stephen Good, Gerrad D. Jones
Summary: This study reports a quantitative machine learning workflow that can select subsets of chemical features to predict the presence/absence of different sources at trace levels in the environment.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Chemistry, Applied
Mengjie Qie, Tiwen Li, Charles C. Liu, Yan Zhao
Summary: This study used DART-HRMS technology to rapidly authenticate lamb samples from four regions. By employing non-targeted metabolomics and chemometric analysis, it was possible to accurately distinguish lamb samples from different regions. The research demonstrates the potential of DART-HRMS for rapid authentication evaluation of food products.
Article
Chemistry, Analytical
Susanne Huber, Klemens Losso, Gunther K. Bonn, Matthias Rainer
Summary: This study is the first to use DART-MS for the rapid quantification of cannabidiol (CBD) in CBD oils. The results show that the quantification of CBD by DART-MS is highly correlated with a validated LC-MS method. The relative standard deviation values of the DART-MS measurements are below the acceptable limit, demonstrating that DART-MS is a reliable and cost-effective alternative method for CBD oil quality control.
ANALYTICAL METHODS
(2022)
Article
Chemistry, Multidisciplinary
Morgane Mauduit, Marie Derrien, Marie Grenier, Stephane Greff, Sacha Molinari, Pierre Chevaldonne, Charlotte Simmler, Thierry Perez
Summary: This study presents a novel underwater hand-held solid-phase extraction device, I-SMEL, which is used to concentrate molecules from seawater and study the chemical composition of marine benthic species. The device was deployed in a sponge-dominated Mediterranean ecosystem and showed promising results in enriching and recovering specialized metabolites from sponges. This research opens up new perspectives in marine chemical ecology and paves the way for sustainable efforts in natural product chemistry.
ACS CENTRAL SCIENCE
(2023)
Article
Biochemical Research Methods
Carmela Zacometti, Andrea Massaro, Tommaso di Gioia, Stephane Lefevre, Aline Fregiere-Salomon, Jean-Louis Lafeuille, Ingrid Fiordaliso Candalino, Michele Suman, Roberto Piro, Alessandra Tata
Summary: The study utilized TD-DART-HRMS technique to analyze authentic and adulterated samples of black pepper and dried oregano, demonstrating the utility of this technique in establishing spice authenticity. Merging different datasets allowed retrieval of more comprehensive information compared to sole TD-(+)DART-HRMS spectra.
JOURNAL OF MASS SPECTROMETRY
(2023)
Article
Biochemistry & Molecular Biology
Urska Sunta, Polonca Trebse, Mojca Bavcon Kralj
Summary: Microplastics and their identification methods have been widely researched in marine environments, but there is a lack of studies on their presence in soil environments. This study proposes a new method for the determination of commonly present polymer MPs in environmental samples using headspace-solid phase microextraction followed by GC-MS.Identification of compounds formed during melting process allows for successful application in complex matrices such as soil and algae biomass.
Article
Chemistry, Analytical
Zhidan Liang, Morgan B. Giles, Mallory J. Stenslik, Maureen Marsales, James D. Ormes, Ray Seto, Wendy Zhong
Summary: This study presents a novel application of matrix-assisted laser desorption/ionization-mass spectrometry imaging (MALDI-MSI) for visualizing the drug release process from non-conductive polymeric LAP implants. The researchers developed a new sample surface treatment procedure to obtain homogeneous imaging of non-conductive sample surfaces. This work is the first comprehensive report of a sample preparation methodology tailored for imaging LAP at the molecular level.
ANALYTICA CHIMICA ACTA
(2022)
Article
Biochemical Research Methods
Xiaomeng Liang, Jan H. Christensen, Nikoline Juul Nielsen
Summary: This study investigated key parameters of RPLC-HRMS analysis for five major classes of phytotoxins in environmental matrices and established a new analytical method that significantly improved detection sensitivity, leading to the discovery of over 30 phytotoxins in an environmental study.
JOURNAL OF CHROMATOGRAPHY A
(2021)
Review
Environmental Sciences
Bo You, Wei Zhou, Junyao Li, Zhijie Li, Yele Sun
Summary: This review summarizes the key findings from mass spectrometry measurements in recent indoor studies, including the sources, deposition, composition, and distribution of indoor VOCs, as well as the factors driving their changes. It also summarizes the physical and chemical processes of gas-particle partitioning and secondary oxidation processes of VOCs, and their impacts on human health. Recommendations for future research directions on indoor VOCs measurements and indoor chemistry are proposed.
ENVIRONMENT INTERNATIONAL
(2022)
Article
Engineering, Environmental
Michael A. Stravs, Christian Stamm, Christoph Ort, Heinz Singer
Summary: This study presents a transportable platform capable of tracking a wide range of chemicals in the aquatic environment with high temporal resolution over extended time periods. The system can quantify pollutants with high sensitivity and has demonstrated insights into pollutant dynamics and potential applications in pollutant management and epidemiology.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2021)
Article
Chemistry, Analytical
Lucas C. Duarte, Igor Pereira, Lanaia I. L. Maciel, Boniek G. Vaz, Wendell K. T. Coltro
Summary: The article discusses the development of a microfluidic mixing device fabricated entirely by 3D printing technology to monitor chemical reactions via mass spectrometry. Results showed that the device containing 3D serpentine channels had higher relative abundance values, making it a promising tool for monitoring organic reactions.
ANALYTICA CHIMICA ACTA
(2022)
Article
Chemistry, Analytical
David Fabregat-Safont, Maria Ibanez, Felix Hernandez, Juan Sancho
Summary: Real-time analysis of exhaled breath has gained significant attention in recent years. A newly developed Atmospheric Breath Analysis Probe (ABAP) has been designed to be compatible with Waters mass spectrometry instruments without the need for expensive modifications. The probe is cost-effective, easy to use, and has been successfully applied for compound analysis in human breath and food.
MICROCHEMICAL JOURNAL
(2022)
Review
Chemistry, Analytical
V. Fern, J. M. Andrade-Garda, S. Muniategui-Lorenzo
Summary: The low percentages of PVC reported in academic studies may be due to various factors, highlighting the need for suitable spectroscopic databases that include PVC weathered standards.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY
(2022)
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)
Review
Spectroscopy
Xiaoping Zhang, Vladimir Frankevich, Jianhua Ding, Yuanyuan Ma, Konstantin Chingin, Huanwen Chen
Summary: The direct mass spectrometry analysis of exhaled human breath has made significant progress in the past decade, including various methods such as selected ion flow tube mass spectrometry, proton transfer reaction mass spectrometry, and atmospheric pressure photoionization mass spectrometry. This article reviews recent developments in the analytical performance and applications of these methods in disease diagnosis, targeted molecular detection, and real-time metabolic monitoring.
MASS SPECTROMETRY REVIEWS
(2023)
Article
Chemistry, Analytical
Sophia A. Schreckenbach, Denina Simmons, Adam Ladak, Lauren Mullin, Derek C. G. Muir, Myrna J. Simpson, Karl J. Jobst
Summary: This study developed a suspect screening method based on industrial compounds with bioaccumulation potential. Results showed that SQDIA has a significantly lower false-positive rate compared to standard DIA. Through suspect screening and nontargeted screening, multiple pollutants were identified, with some compounds confirmed through standards and structural analysis.
ANALYTICAL CHEMISTRY
(2021)
Article
Environmental Sciences
Cassandra Johannessen, Paul Helm, Chris D. Metcalfe
Summary: The study found elevated concentrations of HMMM in surface waters of two rivers in the Greater Toronto Area during rain events and snow melt, while lower average concentrations were detected during winter and spring rain events. The temporal profiles of HMMM concentrations closely corresponded to water level changes during rain events, indicating that runoff from roads is a significant vector for the transport of HMMM into urban surface waters.
ARCHIVES OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY
(2022)
Letter
Engineering, Environmental
Xianming Zhang, Xiangfei Sun, Ruifen Jiang, Eddy Y. Zeng, Elsie M. Sunderland, Derek C. G. Muir
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Article
Engineering, Environmental
Xiangfei Sun, Xianming Zhang, Luyao Wang, Yuanxin Li, Derek C. G. Muir, Eddy Y. Zeng
Summary: The study uses DCNN as a tool to identify organic chemicals in the environment, but the uncertainty associated with its predictions needs to be quantified, with various test methods used to increase confidence. When estimating prediction uncertainty using PBTs, it was found that DCNN only activates a small number of feature descriptors, and these features vary among different DCNN models, indicating its ability to handle redundant data.
JOURNAL OF HAZARDOUS MATERIALS
(2022)
Article
Engineering, Environmental
Xue Zhang, Zi-Feng Zhang, Xianming Zhang, Fu-Jie Zhu, Yi-Fan Li, Minghong Cai, Roland Kallenborn
Summary: This study analyzed the concentrations of polycyclic aromatic hydrocarbons (PAHs) along a cross-section from China to Antarctica, revealing their spatial distribution, source contributions, and gas-particle partitioning in the Pacific, Indian, and Southern Oceans. The results showed that the sources and temperature of air masses significantly influenced the distribution of PAHs, with coal combustion emissions being the major source.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2022)
Review
Environmental Sciences
Zhen Zhao, Jie Li, Xianming Zhang, Leien Wang, Jamin Wang, Tian Lin
Summary: Perfluoroalkyl and polyfluoroalkyl substances (PFASs) are widely detected in groundwater worldwide and pose risks to the ecosystem and human health. Novel PFASs have been used as replacements for PFOS and PFOA and detected using high-resolution mass spectrometry. PFASs in groundwater are commonly found in hotspots such as firefighting training sites, industrial parks, and landfills. Human population relying on contaminated groundwater for drinking water may face potential health risks. Field monitoring, isotope tracing, nontarget screening, and modeling are valuable approaches to understand the migration and behavior of PFASs in groundwater.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2022)
Article
Engineering, Environmental
Xue Zhang, Xianming Zhang, Zi-Feng Zhang, Pu-Fei Yang, Yi-Fan Li, Minghong Cai, Roland Kallenborn
Summary: The global oceans serve as terminal sinks or secondary sources for the diffusion emission of pesticides into the atmosphere. However, information on occurrence patterns and air-seawater exchange of pesticides in remote regions like the Southern Ocean is limited. A large-scale ship-based sampling campaign was conducted to fill this information gap, and the results showed low and evenly distributed pesticide concentrations in the Southern Ocean.
Article
Chemistry, Analytical
Amber MacNeil, Xiaolei Li, Roshanak Amiri, Derek C. G. Muir, Andre Simpson, Myrna J. Simpson, Frank L. Dorman, Karl J. Jobst
Summary: A new mass spectrometry technique has been developed to discover unknown PFASs in environmental and biological samples. By comparing the ratio of their mass and collision cross section, these compounds can be identified. When applied to indoor dust samples, PFAS compounds can be detected without prior knowledge of their occurrence.
ANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Jake Breen, Mahin Hashemihedeshi, Roshanak Amiri, Frank L. Dorman, Karl J. Jobst
Summary: Gas chromatography multiplexed with cyclic ion mobility mass spectrometry is a comprehensive two-dimensional separation technique that can resolve compounds that would otherwise coelute in a single-dimension separation. The present study demonstrates a method to mitigate wrap-around in cyclic ion mobility, allowing for non-targeted interpretation of experiments while maintaining the benefits of peak capacities.
ANALYTICAL CHEMISTRY
(2022)
Article
Environmental Sciences
Zengwei Li, Xianming Zhang, Bin Wang, Guofeng Shen, Qinghua Zhang, Ying Zhu
Summary: Indoor exposure to organic flame retardants (FRs) has raised concerns due to their adverse health effects. Hand-to-mouth contact is the main exposure pathway for low volatile FRs, while inhalation is the predominant intake pathway for tris(2-chloroisopropyl)phosphate. Frequent bathing and handwashing can effectively reduce exposure. Bodyweight and lipid fraction are positively related to internal accumulation of compounds with low metabolic rates.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Environmental Sciences
Cassandra Johannessen, John Liggio, Xianming Zhang, Amandeep Saini, Tom Harner
Summary: Pollution from car tires is gaining research interest due to its presence in the urban environment and associated toxicity. This review summarizes the current knowledge on atmospheric tire wear pollution and highlights the lack of research on gaseous contaminants and oxidation products. The physico-chemical properties and environmental behavior of these pollutants are largely unknown, indicating a critical research gap.
ATMOSPHERIC POLLUTION RESEARCH
(2022)
Article
Environmental Sciences
Cassandra Johannessen, Amandeep Saini, Xianming Zhang, Tom Harner
Summary: This study measured tire-derived contaminants in major cities worldwide and found various pollutants, with diphenylguanidine being the most frequently detected analyte. The study demonstrates that passive sampling is a viable technique for monitoring tire-wear contamination.
ENVIRONMENTAL POLLUTION
(2022)
Article
Biochemical Research Methods
Roshanak Amiri, Meera J. Bissram, Mahin Hashemihedeshi, Frank L. Dorman, David Megson, Karl J. Jobst
Summary: Ortho-substituted isomers of tricresyl phosphates and their toxic metabolites can cause neurotoxic effects in humans. The mechanisms of the reactions between ions and oxygen species in the source have not been established. In this study, a mechanism for the reaction and identification tool for potentially neurotoxic triaryl phosphate esters are proposed through computational and experimental analyses.
JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
(2023)
Article
Engineering, Environmental
Wen-Long Li, Tana V. Mcdaniel, Shane R. de Solla, Lisa Bradley, Alice Dove, Daryl Mcgoldrick, Paul Helm, Hayley Hung
Summary: Since the phase-out of PBDEs, AHFRs have been introduced to the market as alternatives. The persistence and toxicity of HFRs have raised concerns for the ecosystem and human health. However, there is limited assessment of HFRs in Lake Ontario regarding atmospheric loadings, sources, and environmental fate.
ENVIRONMENTAL SCIENCE & TECHNOLOGY
(2023)
Article
Green & Sustainable Science & Technology
Qifan Liu, Runzeng Liu, Xianming Zhang, Wenlong Li, Tom Harner, Amandeep Saini, Hanyang Liu, Fange Yue, Lixi Zeng, Ying Zhu, Changyue Xing, Li Li, Patrick Lee, Shengrui Tong, Weigang Wang, Maofa Ge, Jianjun Wang, Xiaoguo Wu, Cassandra Johannessen, John Liggio, Shao-Meng Li, Hayley Hung, Zhouging Xie, Scott A. Mabury, Jonathan P. D. Abbatt
Summary: This article introduces the widespread use of Organophosphate esters (OPEs) and their potential hazards to ecosystems and human health, stating that existing regulations may be insufficient to control OPE pollution, and emphasizing the need for more comprehensive policies to address this issue.
Article
Chemistry, Analytical
Yujia Ying, Huilin Li
Summary: Enzymes play a crucial role as biological catalysts in accelerating biochemical reactions in living organisms. This study proposes a convenient method for monitoring enzymatic catalytic processes using native top-down mass spectrometry. By exploring the heterogeneity of the chymotrypsin sample and using tandem mass spectrometry, the researchers were able to monitor covalent and noncovalent enzymatic complexes, substrates, and products during catalysis. The results demonstrate that this method has the potential to be a promising tool for characterizing biocatalysts.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Kang Yang, Shuaibo Shi, Jinyu Wu, Shaolong Han, Shengdi Tai, Shishen Zhang, Kun Zhang
Summary: H2O and D2O are important analogues closely related to various industries and monitoring fields. This study successfully distinguishes and detects H2O and D2O by designing a novel eu(III)-macrocycle with dual emitters, Eu-2a, and conducting fluorescence titration experiments.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Julia Kuligowski, Alvaro Perez-Rubio, Marta Moreno-Torres, Polina Soluyanova, Judith Perez-Rojas, Ivan Rienda, David Perez-Guaita, Eugenia Pareja, Ramon Trullenque-Juan, Jose Castell, Marcha Verheijen, Florian Caiment, Ramiro Jover, Guillermo Quintas
Summary: This study introduces a novel variable selection approach called cluster PLS (c-PLS) to assess the joint impact of variable groups selected based on biological characteristics on the predictive performance of a multivariate model. The usefulness of c-PLS is shown using miRNomic and metabolomic datasets obtained from the analysis of liver tissue biopsies.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Meixue Lai, Lijie Zhong, Siyi Liu, Yitian Tang, Tingting Han, Huali Deng, Yu Bao, Yingming Ma, Wei Wang, Li Niu, Shiyu Gan
Summary: This study presents a method for constructing wearable sweat electrolyte sensors using carbon fiber-based solid-contact ion-selective electrodes (SC-ISEs). By using carbon fibers extracted from commercial cloth as electrode material, the cost and reproducibility issues of flexible SC-ISEs were addressed. The results showed that the carbon fiber-based SC-ISEs exhibited reversible voltammetric and stable impedance performances, and had high reproducibility of standard potentials between normal and bending states.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Yang, Ying Liu, Min Deng, Peipei Wang, Dan Cheng, Songjiao Li, Longwei He
Summary: A near-infrared fluorescent probe has been developed to accurately measure the levels of peroxynitrite (ONOO-) in the endoplasmic reticulum (ER) in acute lung injury (ALI). The probe demonstrated rapid response, high selectivity, good sensitivity, and enhanced fluorescence intensity in response to ONOO-. It was successfully used to detect changes in ONOO- levels and showed significant increases in an ALI cell model and an ALI mouse model.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yanping Wang, Yuemei Chen, Kejun Li, Jinrong Zhou, Xin Yuan, Mei Zhang, Ke Huang
Summary: In this work, a portable analytical system based on point discharge chemical vapor generation atomic emission spectrometry (PD-CVG-AES) coupling with gold filament enrichment was designed. The highly sensitive analysis of Hg2+ indirectly realized the detection of ascorbic acid (AA). The measurement is based on the fact that Ag+ can decrease the concentration of Hg2+ by forming Ag-Hg amalgam in the presence of the reductant SnCl2, while AA can pre-reduce Ag+ to Ag0, leading to the generation of silver nanoparticles (Ag NPs). The developed novel analytical strategy broadens the application of microplasma-based AES and offers a higher level of sensitivity compared to current AA detection techniques.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yundi Huang, Bo Song, Kaiwen Chen, Deshu Kong, Jingli Yuan
Summary: This study developed two lysosome-targetable background-free TGL probes for efficient and accurate detection of 1O2, which can be used for monitoring endogenous 1O2 concentrations in lysosomes and discriminating variability induced by different photosensitizers. Furthermore, a smart luminescent sensor film was successfully prepared for on-site 1O2 production detection during PDT processes, offering a promising clinical monitoring tool for skin diseases.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Wei Lang, Jia-Mei Qin, Qian-Yong Cao
Summary: A novel polymer-based probe P1 was successfully synthesized for fluorescently ratiometric sensing of H2S with high selectivity and sensitivity. A smartphone sensing platform was constructed to conduct visual quantitative detection of H2S. P1 can be employed in evaluating the level fluctuations of H2S in living cells, testing water samples/wine samples, and monitoring food freshness.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Yuanyuan Qin, Shuda Liu, Shuyun Meng, Dong Liu, Tianyan You
Summary: The study developed a split aptamer-based sandwich-type ratiometric biosensor for the detection of 17 beta-estradiol (E2) using photoelectrochemical and electrochemical assays. The biosensor utilized split aptamer fragments to recognize E2 and trigger a hybridization chain reaction, resulting in the production of double-stranded DNA labeled with CdTe quantum dots. This DNA complex was able to sensitize CdTe quantum dots and generate response signals for E2 detection. The developed biosensor demonstrated high sensitivity and accuracy with two linear ranges and low detection limits.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Siriwan Teepoo, Jongjit Jantra, Khaunnapa Panapong, David Taiwo Ajayi
Summary: A novel immunochromatographic assay based on hyperbranched Au plasmonic blackbodies with a smartphone readout was developed for rapid and sensitive detection of leucomalachite green residues in fish and shrimp products.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Andrea L. Larraga-Urdaz, Borja Moreira-Alvarez, Jorge Ruiz Encinar, Jose M. Costa-Fernandez, Maria Luisa Fernandez-Sanchez
Summary: A major challenge in the 21st century is the development of point-of-care diagnostic tools. In this study, a highly sensitive and simple bioassay using AuNPs and MNAzymes was developed for rapid detection and quantification of miRNA-4739. The proposed strategy shows potential for breast cancer diagnosis.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Xiaohan Zhao, Anyu Wang, Lingzi Zhai, Jiuhe Gao, Sizhe Lyu, Yingshan Jiang, Tian Zhong, Ying Xiao, Xi Yu
Summary: A novel method using polystyrene-coated magnetic nanoparticles for extracting monohydroxy polycyclic aromatic hydrocarbons from urine samples was investigated. The proposed method is simple, sensitive, and efficient, with desirable sensitivity for analyzing low-abundance metabolites in large volumes of complex urine samples.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Ke Quan, Yuqing Zeng, Wenke Zhang, Fengfeng Li, Mengjiao Li, Zhihe Qing, Linlin Wu
Summary: In this study, a visual and reusable biosensor was developed for detecting substrates that are closely associated with human physiological health. The immobilized oxidase showed higher stability and sensitivity under harsh conditions, enabling reliable detection of substrates in complex fluids.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Dongjuan Wang, Xiuqian Ding, Jinling Xie, Juan Wang, Guanhao Li, Xin Zhou
Summary: In this study, a three-in-one sensor was developed for real-time detection of biogenic amines (BAs) with high sensitivity and selectivity. The sensor showed multimodal responses and could be used to fabricate portable devices for on-site non-destructive assessment of food spoilage indicators.
ANALYTICA CHIMICA ACTA
(2024)
Article
Chemistry, Analytical
Jinting Meng, Zihao Xu, Shasha Zheng, Hongqun Yang, Tianfu Wang, Hong Wang, Yingwei Zhang
Summary: This study demonstrates the development of a cascade signal amplification system using a multi-pedal DNA walker and strand displacement reactions for the electrochemical detection of miRNA-155. The biosensor exhibited high sensitivity, selectivity, and the potential for clinical applications.
ANALYTICA CHIMICA ACTA
(2024)