Article
Biochemistry & Molecular Biology
Emilia Marchei, Maria Alias Ferri, Marta Torrens, Magi Farre, Roberta Pacifici, Simona Pichini, Manuela Pellegrini
Summary: The study utilized high-sensitivity GC-MS and UHPLC-HRMS technologies to analyze classic drugs and new psychoactive substances in the urine of heroin addicts under methadone maintenance therapy. Around 80 different psychoactive substances and/or metabolites were identified, with methadone and its metabolites being the most prevalent. This screening for a large number of psychotropic substances could be beneficial in suspected drug-related fatalities or acute intoxications in emergency departments and drug addiction services.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Chemistry, Medicinal
Ethan King, Richard Overstreet, Julia Nguyen, Danielle Ciesielski
Summary: This study presents a method to improve existing MS/MS libraries by interpolating experimental spectra and supplementing them with existing spectral databases. The interpolated spectra yield consistent improvements in identification accuracy on various instruments and precursor types, making it a quick and effective tool for spectral matching.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Medicinal
Ethan King, Richard Overstreet, Julia Nguyen, Danielle Ciesielski
Summary: This paper presents a method to enhance the usefulness of existing MS/MS libraries by supplementing available experimental spectra with statistically interpolated spectra at unreported collision energies. The interpolated spectra show high accuracy and consistency with true spectra gathered from the same instrument. This method improves spectral matching accuracy on different instruments, at high collision energies, and with smaller data sets.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Environmental Sciences
Richard Bade, Jason M. White, Cobus Gerber
Summary: The consumption of stimulant drugs increases during festive periods, with MDMA, MDA, and cocaine showing significant increases during the Christmas-New Year period. Methamphetamine and new psychoactive substances (NPS) exhibit variable trends, suggesting that drug use during holiday periods can be predicted from patterns of use during non-holiday periods.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Biochemical Research Methods
Nam Sook Kim, Na Young Lim, Hwan Seong Choi, Ji Hyun Lee, Hyungil Kim, Sun Young Baek
Summary: This study identified and characterized 14 different NPS using various spectroscopy and mass spectrometry methods, and developed a simultaneous analytical method that was successfully applied to real samples for NPS detection. The method was validated for specificity, linearity, precision, accuracy, and other parameters, proving to be an effective and accurate tool for NPS detection.
RAPID COMMUNICATIONS IN MASS SPECTROMETRY
(2021)
Article
Biochemistry & Molecular Biology
Yuan-Chih Chen, Jen-Yi Hsu, Chih-Wei Chang, Pin-Yu Chen, Yung-Chieh Lin, I-Lin Hsu, Chiau-Jun Chu, Yen-Ping Lin, Pao-Chi Liao
Summary: The proliferation of new psychoactive substances (NPSs) has become a major challenge for public health. Traditional monitoring methods are inadequate for tracking these constantly evolving substances, hence the need for alternative approaches like wastewater-based epidemiology (WBE). This study utilized high-resolution mass spectrometry (HRMS) to identify NPSs, illicit drugs, and drug-related compounds in a Taiwanese wastewater sample, through targeted and suspect screening. The findings revealed the presence of various illicit drugs and compounds, including a recently sold potential NPS called 5-methoxy-2-aminoindane (MEAI).
Article
Chemistry, Analytical
L. Bijlsma, R. Bade, F. Been, A. Celma, S. Castiglioni
Summary: New psychoactive substances (NPS) are emerging as legal substitutes to conventional illicit drugs, causing public health concerns. Monitoring NPS use is challenging, but determining NPS in pooled urine and wastewater shows great potential. However, this method also presents analytical challenges and limitations.
ANALYTICA CHIMICA ACTA
(2021)
Article
Chemistry, Analytical
Ariadna Denia, Francesc A. Esteve-Turrillas, Sergio Armenta
Summary: In this study, a GC-IMS analytical procedure was developed for the determination of psychoactive substances in oral fluids. The method showed sensitive and robust signals, with model compounds providing limits of detection ranging from 6 to 15 μg L-1. The proposed technique was proven to be reliable, selective, and sensitive for the analysis of psychoactive substances in oral fluids.
Article
Biochemical Research Methods
Evan Lesne, Miguel Munoz-Bartual, Francesc A. Esteve-Turrillas
Summary: A fast and simple procedure based on MEPS and LC-MS/MS was developed for quantifying 28 synthetic hallucinogens in oral fluids. The proposed method demonstrated high precision and quantitative recoveries, with limits of detection ranging from 0.09 to 1.22 µg/L. It is suitable for the determination of NBOMe derivatives and other synthetic hallucinogenic substances in oral fluid samples.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2023)
Article
Chemistry, Analytical
Yawen Li, Ru Lian, Feiyu Yang, Zhiru Xu, Fangqi Cao, Rong Wang, Chen Liang, Yurong Zhang
Summary: A new method for the rapid quantitation of three synthetic cathinones in urine was established using magnetic dispersive solid-phase extraction combined with direct analysis in real time and high-resolution mass spectrometry. The method showed high precision, stability, and accuracy, and was successfully applied to detect the synthetic cathinones in rat urine.
ANALYTICAL METHODS
(2021)
Article
Environmental Sciences
Mario Rodriguez-Varela, Juan C. Duran-Alvarez, Blanca Jimenez-Cisneros, Olivia Zamora, Blanca Prado
Summary: An analytical method based on liquid chromatography coupled to mass spectrometry was validated to quantify five perfluorinated carboxylic acids in wastewater produced in a megacity. Short-chain PFCA were abundant, while concentrations of PFOA and PFUnA remained lower in both sampling sites. The study found that furtive discharges of municipal and industrial wastewater increased the levels of short-chain PFCA, while those of PFOA and PFUnA were depleted.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Medicine, Legal
Bilel Moslah, Omar Smaoui, Mohamed Anouar Nouioui, Manel Araoud, Nadia Chaouali, Meriem Laribi, Dorra Amira, Nabil Ben Salah, Abderrazek Hedhili
Summary: Many studies have shown that wastewaters are polluted by trace levels of organic molecules, including residues of drug of abuse (DAs) and new psychoactive substances (NPS). This study assessed the occurrence of these emerging micropollutants in influent wastewaters (IWW) from three Tunisian Wastewater Treatment Plants (WWTPs). The most detected substances across the three investigated sewage plants were MDMA, THC, and the cocaine metabolite benzoyl ecgonine. A new wastewater-based epidemiology (WBE) approach was used to estimate illicit drug consumption, and the average MDMA consumption in the selected cities ranged from 35.8-1531.1 mg day-1/1000 inhabitants.
FORENSIC SCIENCE INTERNATIONAL
(2023)
Article
Chemistry, Analytical
Jiajia Li, Yong Wang, Anran Liu, Songqin Liu
Summary: A highly sensitive, rapid and highly selective method for the detection of synthetic cannabinoids (SCs) in human serum was developed. Magnetic molecularly imprinted polymer (MIP) nanocomposites were prepared through self-polymerization of dopamine and template molecules. With these magnetic MIP nanoparticles, six SCs could be rapidly and effectively extracted from human blood and their concentrations accurately determined by HPLC-MS analysis. The proposed method is characterized by high sensitivity and selectivity, and has great potential for application in practical sample analysis.
Article
Biochemical Research Methods
Johannes B. Mueller-Reif, Fynn M. Hansen, Lisa Schweizer, Peter Treit, Philipp E. Geyer, Matthias Mann
Summary: Reversed-phase HPLC is commonly used in MS-based proteomics for peptide separation, with particle-packed capillary columns being predominantly used in nanoflow HPLC systems. Despite capillary columns being a standard for many years, they are expensive and have short lifetimes, leading many laboratories to produce their own in-house packed columns.
MOLECULAR & CELLULAR PROTEOMICS
(2021)
Article
Toxicology
Jadwiga Musial, Jolanta Powierska-Czarny, Jakub Czarny, Michal Raczkowski, Natalia Galant, Boguslaw Buszewski, Renata Gadzala-Kopciuch
Summary: The emergence of new psychoactive substances on the market is a significant global problem, with negative consequences such as accidents and deaths. Analyzing these substances in biological samples is crucial for legal action and saving lives. Laboratories face challenges in optimizing methods to identify and determine these substances accurately.
ARCHIVES OF TOXICOLOGY
(2022)
Article
Chemistry, Analytical
L. Bijlsma, R. Bade, F. Been, A. Celma, S. Castiglioni
Summary: New psychoactive substances (NPS) are emerging as legal substitutes to conventional illicit drugs, causing public health concerns. Monitoring NPS use is challenging, but determining NPS in pooled urine and wastewater shows great potential. However, this method also presents analytical challenges and limitations.
ANALYTICA CHIMICA ACTA
(2021)
Article
Engineering, Environmental
Iria Gonzalez-Marino, Leticia Ares, Rosa Montes, Rosario Rodil, Rafael Cela, Ester Lopez-Garcia, Cristina Postigo, Miren Lopez de Alda, Eva Pocurull, Rosa Maria Marce, Lubertus Bijlsma, Felix Hernandez, Yolanda Pico, Vicente Andreu, Andreu Rico, Yolanda Valcarcel, Manuel Miro, Nestor Etxebarria, Jose Benito Quintana
Summary: This study estimated human exposure to phthalates in the Spanish population using a wastewater-based epidemiology approach, revealing that some metabolite exposure levels exceeded the daily exposure thresholds set by the European Food Safety Authority.
JOURNAL OF HAZARDOUS MATERIALS
(2021)
Article
Environmental Sciences
Lubertus Bijlsma, Yolanda Pico, Vicente Andreu, Alberto Celma, Andrea Estevez-Danta, Iria Gonzalez-Marino, Felix Hernandez, Miren Lopez de Alda, Ester Lopez-Garcia, Rosa Maria Marce, Manuel Miro, Rosa Montes, Unai Perez de San Roman-Landa, Elena Pitarch, Eva Pocurull, Cristina Postigo, Ailette Prieto, Andreu Rico, Rosario Rodil, Yolanda Valcarcel, Mireia Ventura, Jose Benito Quintana
Summary: The data obtained from wastewater analysis can provide rapid insights into illicit drug consumption at the community level. A national wastewater monitoring program was implemented in Spain to understand spatial differences and trends in drug use, with cannabis and cocaine being the most commonly consumed drugs in the country. Regional variations were observed, such as higher levels of methamphetamine in Barcelona and amphetamine in Bilbao, indicating different primary drugs in these metropolitan areas.
SCIENCE OF THE TOTAL ENVIRONMENT
(2021)
Article
Chemistry, Analytical
Andrea Estevez-Danta, Rosario Rodil, Brenda Perez-Castano, Rafael Cela, Jose Benito Quintana, Iria Gonzalez-Marino
Summary: A methodology for determining plasticizer metabolites in wastewater was proposed as a non-invasive, cheap, and fast exposure monitoring tool. Despite regulations limiting the use of phthalates, metabolites were still quantified in wastewater samples, and terephthalate metabolites introduced in the late 20th century were detected for the first time in this matrix. Back-calculation of exposure highlighted a shift towards terephthalates as a common plastic additive, reflecting the increasing substitution of di-2-ethylhexyl phthalate.
Article
Chemistry, Medicinal
Stefano Sainas, Marta Giorgis, Paola Circosta, Valentina Gaidano, Davide Bonanni, Agnese C. Pippione, Renzo Bagnati, Alice Passoni, Yaqi Qiu, Carina Florina Cojocaru, Barbara Canepa, Alessandro Bona, Barbara Rolando, Mariia Mishina, Cristina Ramondetti, Barbara Buccinna, Marco Piccinini, Mohammad Houshmand, Alessandro Cignetti, Enrico Giraudo, Salam Al-Karadaghi, Donatella Boschi, Giuseppe Saglio, Marco L. Lolli
Summary: Compound 1 is a potent hDHODH inhibitor that induces AML cell differentiation and shows good metabolic stability and safety in mice. Compound 17, on the other hand, exhibits stronger activity in inducing AML cell differentiation, apoptosis, and lower cytotoxicity towards non-AML cells.
JOURNAL OF MEDICINAL CHEMISTRY
(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
Engineering, Environmental
Andrea Estevez-Danta, Rosa Montes, Lubertus Bijlsma, Rafael Cela, Alberto Celma, Iria Gonzalez-Marino, Manuel Miro, Vanessa Gutmann, Unai Perez de San Roman-Landa, Ailette Prieto, Mireia Ventura, Rosario Rodil, Jose Benito Quintana
Summary: The enantiomeric analysis of amphetamine-like substances in wastewater provides insight into their sources. In Spain, AMP and MDMA trafficked into the country are synthesized as racemates, while MAMP is exclusively produced as the S(+)-enantiomer. There is an increasing pattern of AMP use in the Basque Country.
Article
Engineering, Environmental
Richard Bade, Jason M. White, Maulik Ghetia, Santosh Adiraju, Sangeet Adhikari, Lubertus Bijlsma, Tim Boogaerts, Daniel A. Burgard, Sara Castiglioni, Alberto Celma, Andrew Chappell, Adrian Covaci, Erin M. Driver, Rolf U. Halden, Felix Hernandez, Heon-Jun Lee, Alexander L. N. van Nuijs, Jeong-Eun Oh, Marco A. Pineda Castro, Noelia Salgueiro-Gonzalez, Bikram Subedi, Xue-Ting Shao, Viviane Yargeau, Ettore Zuccato, Cobus Gerber
Summary: This study focused on 28 NPS stimulants and detected 11 of them, with eutylone and 3-methylmethcathinone (3MMC) being the most commonly found and with the highest mass loads, indicating international popularity. Older generation stimulants like para-methoxyamphetamine (PMA), methylone, and mephedrone were also detected, showing the dynamic nature of the NPS market. Areas in New Zealand were found to have the highest loads of NPS stimulant consumption, demonstrating the potential public health risks associated with these substances.
ENVIRONMENTAL SCIENCE & TECHNOLOGY LETTERS
(2022)
Article
Environmental Sciences
Laura Pellegrinelli, Sara Castiglioni, Clementina Cocuzza, Barbara Bertasi, Valeria Primache, Silvia Schiarea, Giulia Salmoiraghi, Andrea Franzetti, Rosario Musumeci, Michela Tilola, Elisa Galuppini, Giorgio Bertanza, Marialuisa Callegari, Fabrizio Stefani, Andrea Turolla, Emanuela Ammoni, Danilo Cereda, Elena Pariani, Sandro Binda
Summary: This study evaluated the performance of different pre-analytical and analytical methods for identifying the presence of SARS-CoV-2 in untreated municipal wastewater samples. It concluded that PEG-8000 precipitation combined with real-time RT-PCR targeting the N gene was the best workflow for detecting SARS-CoV-2 RNA in wastewater.
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
Engineering, Environmental
Marina Celia Campos-Manas, Natan Van Wichelen, Adrian Covaci, Alexander L. N. van Nuijs, Christoph Ort, Frederic Been, Sara Castiglioni, Felix Hernandez, Lubertus Bijlsma
Summary: Wastewater analysis of THC biomarkers provides important information on cannabis consumption trends. Analyzing both the liquid and solid phases yields more accurate results.
Article
Biochemical Research Methods
Iria Gonzalez-Marino, Ana Maria Casas-Ferreira, Miguel del Nogal Sanchez, Jose Luis Perez Pavon
Summary: A simple and fast method combining the use of a guard column-MS/MS was proposed for the determination of plasticizer metabolites in urine. The method showed high precision and low limits of quantification. It can analyze a large number of samples in a short time and achieves good agreement with UHPLC-MS/MS method.
JOURNAL OF CHROMATOGRAPHY A
(2023)
Review
Toxicology
Elena Fattore, Alessia Lanno, Alberto Danieli, Simone Stefano, Alice Passoni, Alessandra Roncaglioni, Renzo Bagnati, Enrico Davoli
Summary: 3-MCPD is a chiral molecule that exists naturally as a mixture of (R)- and (S)-enantiomers. It was studied as a male antifertility drug in the 1970s, but research was discontinued due to observed side effects. However, it was later found to be a widespread contaminant in processed foods. Toxicological studies have shown that 3-MCPD primarily affects the kidney and reproductive system, followed by the neurological and immune systems. Further research is needed to understand the absorption, metabolism, and long-term toxicity of 3-MCPD esters for improved risk assessment.
ARCHIVES OF TOXICOLOGY
(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
Environmental Sciences
Ivan Senta, Ivona Krizman-Matasic, Petra Kostanjevecki, Iria Gonzalez-Marino, Rosario Rodil, Jose Benito Quintana, Iva Mikac, Senka Terzic, Marijan Ahel
Summary: The consumption patterns of psychoactive substances were studied in Split, Croatia using wastewater-based epidemiology (WBE), with a focus on the impact of a large electronic music festival. The festival week was characterized by increased use of illicit stimulants and alcohol, while consumption of other drugs remained constant. WBE data revealed distinct patterns of substance use associated with the festival and some differences between summer and autumn seasons.
SCIENCE OF THE TOTAL ENVIRONMENT
(2023)