Article
Environmental Sciences
Benjamin H. Maskrey, Karl Dean, Nadine Morrell, Andrew D. Turner
Summary: A simple and rapid UHPLC-MS/MS method has been developed for quantifying pharmaceuticals and metabolites in bivalve molluscs, demonstrating good performance in terms of extraction efficiencies and sensitivity.
ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY
(2021)
Article
Chemistry, Analytical
Sophie Catanese, Raoul K. Khanna, Antoine Lefevre, Hugo Alarcan, Pierre-Jean Pisella, Patrick Emond, Helene Blasco
Summary: To apply metabo-lipidomics in ophthalmological and systemic diseases, it is necessary to standardize the preanalytical and analytical steps in human tears. This study compared different methods for each step of the workflow and found that methanol/water extraction provided the best results for metabolomics, while Folch extraction was superior for lipidomics. The use of microcapillary glass tube for sampling was superior to Schirmer strip for metabolomics. A volume of 5 mu L provided satisfactory metabo-lipidomic coverage. These findings will contribute to improving the metabo-lipidomic workflow in human tears for the identification of new biomarkers.
Article
Chemistry, Analytical
Ahmed Mostafa, Heba Shaaban, Abdulmalik Alqarni, Raneem Al-Ansari, Ahlam Alrashidi, Fatima Al -Sultan, Mohammed Alsulaiman, Fatimah Alsaif, Omer Aga
Summary: Occurrence of pharmaceuticals in wastewater can lead to contamination and health hazards in water environments. To monitor these pharmaceuticals, a eco-friendly, sensitive, robust and selective UHPLC-MS/MS method using SPE for sample preparation was developed. The method achieved satisfactory extraction efficiencies, recoveries, precision and low limits of detection. It successfully analyzed 32 pharmaceuticals in wastewater and assessed their environmental risk. The study emphasized the importance of monitoring these compounds for future mitigation actions.
MICROCHEMICAL JOURNAL
(2023)
Article
Chemistry, Applied
Chengfei Wang, Xiaowei Li, Fugen Yu, Yingyu Wang, Dongyang Ye, Xue Hu, Lan Zhou, Jingjing Du, Xi Xia
Summary: The developed method can be used to detect multiple veterinary drug residues in eggs with high accuracy and stability, and has been successfully applied in real samples. The dietary exposure risk assessment based on survey results indicated that the evaluated daily intake and percentage of acceptable daily intake were at toxicologically acceptable levels.
Article
Chemistry, Analytical
Xiaowei Zhang, Xinpeng Diao, Luya Li, Yuqian Zhang, Man Liao, Guohua Zhang, Lantong Zhang
Summary: This study analyzed the metabolic profile of ginkgolide B using ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry, and identified a total of 53 different metabolites. The biotransformation route of ginkgolide B was determined, providing useful information for further research on its pharmacology and mechanism.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Environmental Sciences
Kleopatra Miserli, Christina Kosma, Ioannis Konstantinou
Summary: Pharmaceuticals released from wastewater treatment plants are emerging contaminants that can have biological effects at low concentrations. Conventional wastewater treatment methods are unable to completely remove these contaminants, leading to their presence in sewage sludge. This study developed a method to detect pharmaceuticals in sewage sludge and hydrochar using a combination of extraction and chromatography techniques. The method was successful in detecting various pharmaceutical compounds in the samples tested.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Food Science & Technology
Hongping Chen, Xinlu Wang, Pingxiang Liu, Qi Jia, Haolei Han, Changling Jiang, Jing Qiu
Summary: A modified QuEChERS method using ultra performance liquid chromatography tandem mass spectrometry was developed for the determination of three typical metabolites of pyrethroid pesticides in tea. The method was validated with good accuracy and precision, and 3-PBA and TFA were detected in two out of 22 tea samples.
Article
Chemistry, Analytical
Tingting Zhao, Yu Liu, Hongwu Liang, Li Li, Kaiwei Shi, Jia Wang, Yuke Zhu, Cheng Ma
Summary: An efficient analytical method for the simultaneous determination of penthiopyrad enantiomers and its metabolite in different matrices was developed in this study, utilizing chiral stationary phase and ultra-high performance liquid chromatography-tandem mass spectrometry. The absolute configuration of penthiopyrad enantiomers was confirmed, and optimal conditions for chiral separation were determined through evaluation of different polysaccharide-based chiral stationary phases. The method showed good linearity, sensitivity, accuracy, and convenience for further research on stereoselective degradation, residual monitoring, and risk assessment.
JOURNAL OF SEPARATION SCIENCE
(2022)
Article
Chemistry, Analytical
Xinyue Zheng, Xujian Duan, Di Lu, Qiuhong Jiang, Yajun Liu, Hongyu Xue, Jiansong You, Lei Yin, Meiyun Shi
Summary: This study developed a highly selective and sensitive ultra-performance liquid chromatography-tandem mass spectrometry method to determine butachlor in a biological matrix. The method used tandem mass spectrometry cubed scanning mode, improving selectivity and sensitivity. The results indicated that butachlor was cellular toxic.
JOURNAL OF SEPARATION SCIENCE
(2023)
Article
Chemistry, Analytical
Selina Tisler, David Pattison, Jan H. Christensen
Summary: Matrix effects pose challenges for accurate measurements with LC ESI-MS. This study developed a three-step method to evaluate and compensate for matrix effects in enriched wastewater extracts. The method involved determining the optimal relative enrichment factor, correcting matrix effects at higher REFs, and predicting and correcting residual structure-specific matrix effects.
ANALYTICAL CHEMISTRY
(2021)
Article
Biochemical Research Methods
V Fernandez-Fernandez, M. Ramil, R. Cela, I Rodriguez
Summary: A modular solid-phase extraction (SPE) setup was developed to effectively extract neutrals, acids, and bases micro pollutants from wastewater. The approach showed excellent performance in extracting 64 compounds and identified 19 pollutants with low removal efficiencies during wastewater treatment or even enhancement.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Qin-Feng Zhang, Hua-Ming Xiao, Jin-Tao Zhan, Bi-Feng Yuan, Yu-Qi Feng
Summary: Intestinal microbes play a crucial role in converting ingested diet into physiologically active small molecules. This study presents a reversed-phase chromatography method that allows simultaneous determination of 20 indole metabolites of tryptophan, providing a useful tool for studying related diseases.
CHINESE CHEMICAL LETTERS
(2022)
Article
Chemistry, Analytical
Henriette de Loor, Thomas Vanhove, Pieter Annaert, Eveline Lescrinier, Dirk Kuypers
Summary: A sensitive UPLC-MS/MS method was developed for measuring tacrolimus and its metabolites, successfully validating two tautomers of M1. The study provided insights into individualized adjustment of immunosuppressant therapy through better characterization of metabolites and tautomers. The validated method showed linear calibration curves, precision below 15%, and mean recoveries between 93-110% for all compounds.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2021)
Article
Pharmacology & Pharmacy
Kamila Chomanicova, Elida Alechaga Silva, Rosa Ventura Alemany
Summary: Using ultra-high performance liquid chromatography-tandem mass spectrometry, this study investigated the renal excretion profiles of known and unknown trimetazidine (TMZ) metabolites in human urine. Samples were collected from a healthy volunteer at various time intervals after a single dose of TMZ. The study revealed the presence of new metabolites, in addition to the major metabolite intact TMZ. Excretion curves were constructed based on specific mass transitions of each metabolite.
BRAZILIAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2023)
Article
Chemistry, Analytical
A. Arrizabalaga-Larranaga, S. Epigmenio-Chamu, F. J. Santos, E. Moyano
Summary: This paper describes the development of a rapid and sensitive method for detecting banned dyes in spice samples using UHPLC-MS/MS technology combined with three atmospheric pressure ionization sources. The proposed method demonstrated good performance in sample analysis, with low detection limits, good precision, and accurate quantitation.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Analytical
Tamara Fernandez-Bautista, Beatriz Gomez-Gomez, Roberto Palacin-Garcia, Emma Gracia-Lor, Teresa Perez-Corona, Yolanda Madrid
Summary: The distribution of Se and Hg in different protein fractions extracted from muscle tissues of tuna, swordfish, and salmon (wild vs. farmed) was investigated for the first time. The study revealed that Se and Hg were associated with proteins of specific molecular weights, with differences observed between farmed and wild salmon. Additionally, Se speciation studies showed SeMeSeCys as the primary selenium species found in the proteins analyzed.
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)
Article
Chemistry, Analytical
David Izquierdo-Sandoval, David Fabregat-Safont, Leticia Lacalle-Bergeron, Juan V. Sancho, Felix Hernandez, Tania Portoles
Summary: The combination of GC with IMS-HRMS is considered a promising approach for monitoring (semi)volatile compounds in complex matrices. Utilizing soft ionization and ion mobility separation, it enables rapid, sensitive, and efficient wide-scope screening while improving (tentative) identifications. With the assessment of 264 organic pollutants, GC-APCI-IMS-HRMS demonstrated robust identification power in complex-matrix samples.
ANALYTICAL CHEMISTRY
(2022)
Article
Environmental Sciences
Andrea Estevez-Danta, Lubertus Bijlsma, Ricardo Capela, Rafael Cela, Alberto Celma, Felix Hernandez, Unax Lertxundi, Joao Matias, Rosa Montes, Gorka Orive, Ailette Prieto, Miguel M. Santos, Rosario Rodil, Jose Benito Quintana
Summary: This study investigated the use of illicit drugs and licit substances of abuse during the COVID-19 pandemic restrictions in several locations in Spain and Portugal using wastewater-based epidemiology. The results showed widespread use of substances such as cannabis and cocaine, with limited use of methamphetamine. The study also confirmed two instances of ecstasy dumping in the sewage network.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Multidisciplinary Sciences
Roque Serrano, Juan C. Navarro, Carlos Sales, Tania Portoles, Oscar Monroig, Joaquin Beltran, Felix Hernandez
Summary: Very long-chain polyunsaturated fatty acids (VLC-PUFA) play an important role in the development of the nervous system, retinal function, and reproductive processes in vertebrates. The effect of high vegetable oil aquafeed formulations on VLC-PUFA levels has not been fully understood.
SCIENTIFIC REPORTS
(2022)
Article
Environmental Sciences
Marina Campos-Manas, David Fabregat-Safont, Felix Hernandez, Eva de Rijke, Pim de Voogt, Annemarie van Wezel, Lubertus Bijlsma
Summary: Wastewater-based epidemiology (WBE) is a method that assesses levels of biomarkers in wastewater to gather unique information on drug consumption and human exposure to chemicals. This study developed an advanced analytical method for quantifying pesticide biomarkers in urban wastewater and applied it to samples collected across Europe, showing the presence of specific metabolites.
Article
Chemistry, Applied
Ivan Romero-sanchez, Lorena Ramirez-Garcia, Emma Gracia-Lor, Yolanda Madrid-Albarran
Summary: This study evaluated different methods for the extraction and clean-up of aflatoxins from rice, and successfully applied the method to analyze rice samples from Spanish supermarkets. The results showed that the method of methanol-water extraction combined with immunoaffinity column clean-up had favorable performance, with high recoveries and low detection and quantification limits.
Article
Chemistry, Medicinal
Alberto Celma, Richard Bade, Juan Vicente Sancho, Felix Hernandez, Melissa Humphries, Lubertus Bijlsma
Summary: Ultra-high performance liquid chromatography coupled to ion mobility separation and high-resolution mass spectrometry instruments are valuable for screening emerging contaminants in the aquatic environment. However, in the absence of reference standards, the prediction of retention time (RT) and collision cross-section (CCS) values is important. This study developed Multiple Adaptive Regression Splines (MARS) prediction models for RT and CCS, which were validated using a database of protonated molecules, deprotonated molecules, and sodium adducts. The developed models, integrated in an open-access online platform, enable the prediction of both RT and CCS data.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Environmental Sciences
Rosa de Llanos, Rocio Cejudo-Marin, Manuela Barneo, Alba Perez-Cataluna, Maria Barbera-Riera, Marisa Rebagliato, Juan Bellido-Blasco, Gloria Sanchez, Felix Hernandez, Lubertus Bijlsma
Summary: Wastewater surveillance is a valuable tool for tracing the transmission of SARS-CoV-2, as it allows for monitoring both symptomatic and asymptomatic cases. A pilot program conducted at University Jaume I in Spain showed that the detection of SARS-CoV-2 RNA in wastewater was influenced by the COVID-19 incidence on campus and the occupancy of buildings. Additionally, sequencing of selected samples revealed the presence of viral variants, indicating the evolution of the virus over time.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Environmental Sciences
Ruud Steenbeek, Erik Emke, Dennis Vughs, Joao Matias, Tim Boogaerts, Sara Castiglioni, Marina Campos-Manas, Adrian Covaci, Pim de Voogt, Thomas ter Laak, Felix Hernandez, Noelia Salgueiro-Gonzalez, Wim G. Meijer, Mario J. Dias, Susana Simoes, Alexander L. N. van Nuijs, Lubertus Bijlsma, Frederic Been
Summary: This study assessed crack cocaine use on a broad scale, both temporal and in cities across Europe, using wastewater-based epidemiology. The results highlight the importance of monitoring community loads of crack cocaine use.
SCIENCE OF THE TOTAL ENVIRONMENT
(2022)
Article
Chemistry, Analytical
David Fabregat-Safont, Elisa Gracia-Marin, Maria Ibanez, Elena Pitarch, Felix Hernandez
Summary: The research on antibiotics occurrence in the aquatic environment has gained attention due to their potential negative effects, such as bacterial antibiotic-resistance. Antibiotic residues are not completely removed in wastewater treatment plants and end up in water bodies. Analytical methodologies are needed to determine antibiotics in influent and effluent wastewater for various purposes, such as environmental risk assessment and estimating removal efficiencies.
ANALYTICA CHIMICA ACTA
(2023)
Article
Biotechnology & Applied Microbiology
Johanna Zambrano, Pedro Antonio Garcia-Encina, Felix Hernandez, Ana M. Botero-Coy, Juan J. Jimenez, Ruben Irusta-Mata
Summary: The study investigated the mechanisms involved in the removal of four veterinary antibiotics (TTC, CPF, SDZ, SMX) in synthetic wastewater using microalgae-bacteria consortia dominated by Scenedesmus almeriensis. The overall removal efficiency of the antibiotics was determined, and a pseudo-first order irreversible model was applied to analyze the degradation rates. Biosorption was identified as the main mechanism for all four antibiotics, followed by biodegradation in the cases of TTC and SDZ. CPF showed no removal via biodegradation, while SMX did not undergo hydrolysis or photolysis. The study demonstrates the potential use of microalgae as an ecofriendly wastewater treatment process.
ENVIRONMENTAL TECHNOLOGY & INNOVATION
(2023)
Article
Food Science & Technology
Leticia Lacalle-Bergeron, David Izquierdo-Sandoval, Alfredo Fernandez-Quintela, Maria P. Portillo, Juan Vicente Sancho, Felix Hernandez, Tania Portoles
Summary: Untargeted metabolomics with IMS-HRMS was used to study the effects of resveratrol and pterostilbene supplementation on the metabolic fingerprint of the liver in rats with induced liver steatosis. Different alterations in liver metabolism were observed with the two supplements. Resveratrol affected lysophospholipid metabolism, while pterostilbene affected vitamins and derivatives. The use of IMS provided additional structural information for confident identification.
FOOD RESEARCH INTERNATIONAL
(2023)
Article
Environmental Sciences
Nikolaos Rousis, Richard Bade, Ivan Romero-Sanchez, Jochen F. Mueller, Nikolaos S. Thomaidis, Kevin Thomas, Emma Gracia-Lor
Summary: The market for illicit drugs and new psychoactive substances (NPS) has increased significantly and festivals are identified as high-risk environments for substance use. Traditional surveillance methods have limitations, and wastewater-based epidemiology (WBE) proves to be a cost-effective and timely alternative. Utilizing WBE, a study was conducted in a large city in Spain during the New Year period and a summer Festival, identifying high consumption rates of specific NPS and illicit drugs, as well as dynamic changes in their use patterns over a six-month period. The study highlights the importance of WBE in complementing public health information and providing insights into drug use trends at festivals.
ENVIRONMENT INTERNATIONAL
(2023)
Article
Engineering, Environmental
Frieberg Kim, Gago-Ferrero Pablo, Bijlsma Lubertus, Ahrens Lutz, Wiberg Karin, Hernandez Felix, Oskarsson Agneta, Lundqvist Johan
Summary: Indirect potable reuse of treated wastewater for drinking water production is a viable solution to water scarcity. Disinfection is effective in reducing microbial hazards, but it can lead to the formation of disinfection by-products. This study assessed the chemical hazards in a system where chlorination was used for disinfection, and found a significant reduction in bioactive pollutants in the finished drinking water. The findings contribute valuable knowledge to increase the reuse of treated wastewater for drinking water production.
