ORCID Profile
0000-0003-2724-9183
Current Organisation
The University of Queensland Queensland Alliance for Environmental Health Sciences
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Research Topics
In Research Link Australia (RLA), "Research Topics" refer to ANZSRC FOR and SEO codes. These topics are either sourced from ANZSRC FOR and SEO codes listed in researchers' related grants or generated by a large language model (LLM) based on their publications.
Top 5 Research Topics
ANZSRC Field of Research (FoR)
Forensic Chemistry | Toxicology (incl. Clinical Toxicology) | Environmental Monitoring | Other Chemical Sciences | Water Treatment Processes | Public Health and Health Services not elsewhere classified | Environmental Science and Management | Environmental Chemistry (incl. Atmospheric Chemistry)
ANZSRC Socio-Economic Objective (SEO)
Expanding Knowledge in the Environmental Sciences | Expanding Knowledge in the Chemical Sciences | Substance Abuse | Environmental Health |
Related Links
Publications
A sensitive analytical method for the measurement of neurotransmitter metabolites as potential population biomarkers in wastewater
Publisher: Elsevier BV
Date: 02-2020
DOI: 10.1016/J.CHROMA.2019.460623
Abstract: Wastewater-based epidemiology is a growing research field which provides valuable information on community drug use and chemical exposure. One parameter critical to estimations of drug use is the catchment area population. A population biomarker could be used to provide this information. This study evaluated the analytical suitability of three endogenous biomarkers of human activity: the serotonin metabolite 5-hydroxyindoleacetic acid (5-HIAA) which has previously been proposed and two further candidates, the catecholamine metabolites vanillylmandelic acid (VMA) and homovanillic acid (HVA). An analytical method involving derivatization was developed and validated for two candidates, 5-HIAA and HVA by liquid chromatography - mass spectrometry. The best performance was obtained for VMA as the underivatized analyte. The derivatized extracts produced a 100 times better sensitivity. The three neurotransmitter metabolites were evaluated as population biomarkers in wastewater s les. All were stable in s le, not lost upon filtration and showed stable inter-day mass loads over seven days for a metropolitan wastewater treatment plant. When applied to a small community during a festival period, mass loads of both HVA and VMA reflected the increase in the catchment population, whilst 5-HIAA proved to be more variable.
Determining changes in new psychoactive substance use in Australia by wastewater analysis
Publisher: Elsevier BV
Date: 08-2020
Monitoring a large number of pesticides and transformation products in water samples from Spain and Italy
Publisher: Elsevier BV
Date: 07-2017
DOI: 10.1016/J.ENVRES.2017.03.013
Abstract: Assessing the presence of pesticides in environmental waters is particularly challenging because of the huge number of substances used which may end up in the environment. Furthermore, the occurrence of pesticide transformation products (TPs) and/or metabolites makes this task even harder. Most studies dealing with the determination of pesticides in water include only a small number of analytes and in many cases no TPs. The present study applied a screening method for the determination of a large number of pesticides and TPs in wastewater (WW) and surface water (SW) from Spain and Italy. Liquid chromatography coupled to high-resolution mass spectrometry (HRMS) was used to screen a database of 450 pesticides and TPs. Detection and identification were based on specific criteria, i.e. mass accuracy, fragmentation, and comparison of retention times when reference standards were available, or a retention time prediction model when standards were not available. Seventeen pesticides and TPs from different classes (fungicides, herbicides and insecticides) were found in WW in Italy and Spain, and twelve in SW. Generally, in both countries more compounds were detected in effluent WW than in influent WW, and in SW than WW. This might be due to the analytical sensitivity in the different matrices, but also to the presence of multiple sources of pollution. HRMS proved a good screening tool to determine a large number of substances in water and identify some priority compounds for further quantitative analysis.
A Taste for New Psychoactive Substances: Wastewater Analysis Study of 10 Countries
Publisher: American Chemical Society (ACS)
Date: 08-12-2021
Three years of wastewater surveillance for new psychoactive substances from 16 countries
Publisher: Elsevier BV
Date: 05-2023
Artificial Cell Encapsulation for Biomaterials and Tissue Bio-Nanoengineering: History, Achievements, Limitations, and Future Work for Potential Clinical Applications and Transplantation
Publisher: MDPI AG
Date: 30-11-2021
DOI: 10.3390/JFB12040068
Abstract: Pancreatic β-cell loss and failure with subsequent deficiency of insulin production is the hallmark of type 1 diabetes (T1D) and late-stage type 2 diabetes (T2D). Despite the availability of parental insulin, serious complications of both types are profound and endemic. One approach to therapy and a potential cure is the immunoisolation of β cells via artificial cell microencapsulation (ACM), with ongoing promising results in human and animal studies that do not depend on immunosuppressive regimens. However, significant challenges remain in the formulation and delivery platforms and potential immunogenicity issues. Additionally, the level of impact on key metabolic and disease biomarkers and long-term benefits from human and animal studies stemming from the encapsulation and delivery of these cells is a subject of continuing debate. The purpose of this review is to summarise key advances in this field of islet transplantation using ACM and to explore future strategies, limitations, and hurdles as well as upcoming developments utilising bioengineering and current clinical trials.
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Publisher: Springer Science and Business Media LLC
Date: 21-10-2022
DOI: 10.1186/S12302-022-00680-6
Abstract: The NORMAN Association ( www.norman-network.com/ ) initiated the NORMAN Suspect List Exchange (NORMAN-SLE ds/SLE/ ) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water s les by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for “suspect screening” lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The in idual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community ( ommunities/norman-sle ), with a total of 40,000 unique views, 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem ( pubchem.ncbi.nlm.nih.gov/ ) and the US EPA’s CompTox Chemicals Dashboard ( ashboard/ ), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser ( lassification/#hid=101 ). The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the “one substance, one assessment” approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website ( ds/SLE/ ).
Changes in alcohol consumption associated with social distancing and self‐isolation policies triggered by COVID‐19 in South Australia: a wastewater analysis study
Publisher: Wiley
Date: 10-2020
DOI: 10.1111/ADD.15256
Abstract: To assess the effects of social distancing and social isolation policies triggered by COVID‐19 on alcohol consumption using wastewater analysis in Adelaide, South Australia. Longitudinal quantitative analysis of influent wastewater data for alcohol concentration. Adelaide, South Australia. Wastewater catchment area representative of 1.1 million inhabitants. Twenty‐four hour composite influent wastewater s les were collected from four wastewater treatment plants in Adelaide, South Australia for 7 consecutive days (Wednesday–Tuesday) every 2 months from April 2016–April 2020. The alcohol metabolite ethyl sulfate was measured in s les using chromatography–tandem mass spectrometry. Data were population‐weighted adjusted with consumption expressed as standard drinks/day/1000 people. Weekly consumption and weekend to mid‐week consumption ratios were analysed to identify changes in weekday alcohol use pattern. Estimated weekend alcohol consumption was significantly lower (698 standard drinks/day/1000 people) after self‐isolation measures were enforced in April 2020 compared with the preceding s ling period in February 2020 (1047 standard drinks/day/1000 people), P 0.05. Weekend to midweek consumption ratio was 12% lower than the average ratio compared with all previous s ling periods. April 2020 recorded the lowest alcohol consumption relative to April in previous years, dating back to 2016. Wastewater analysis suggests that introduction of social distancing and isolation policies triggered by COVID‐19 in Adelaide, South Australia, was associated with a decrease in population‐level weekend alcohol consumption.
Comparison of phosphodiesterase type V inhibitors use in eight European cities through analysis of urban wastewater
Publisher: Elsevier BV
Date: 06-2018
DOI: 10.1016/J.ENVINT.2018.03.039
Abstract: In this work a step forward in investigating the use of prescription drugs, namely erectile dysfunction products, at European level was taken by applying the wastewater-based epidemiology approach. 24-h composite s les of untreated wastewater were collected at the entrance of eight wastewater treatment plants serving the catchment within the cities of Bristol, Brussels, Castellón, Copenhagen, Milan, Oslo, Utrecht and Zurich. A validated analytical procedure with direct injection of filtered aliquots by liquid chromatography-tandem mass spectrometry was applied. The target list included the three active pharmaceutical ingredients (sildenafil, tadalafil and vardenafil) together with (bio)transformation products and other analogues. Only sildenafil and its two human urinary metabolites desmethyl- and desethylsildenafil were detected in the s les with concentrations reaching 60 ng L
Prediction of Retention Time and Collision Cross Section (CCSH+, CCSH–, and CCSNa+) of Emerging Contaminants Using Multiple Adaptive Regression Splines
Publisher: American Chemical Society (ACS)
Date: 24-10-2022
Spatio‐temporal assessment of illicit drug use at large scale: evidence from 7 years of international wastewater monitoring
Publisher: Wiley
Date: 23-10-2019
DOI: 10.1111/ADD.14767
Enantiomeric profiling of chiral illicit drugs in a pan-European study
Publisher: Elsevier BV
Date: 03-2018
DOI: 10.1016/J.WATRES.2017.11.051
Abstract: The aim of this paper is to present the first study on spatial and temporal variation in the enantiomeric profile of chiral drugs in eight European cities. Wastewater-based epidemiology (WBE) and enantioselective analysis were combined to evaluate trends in illicit drug use in the context of their consumption vs direct disposal as well as their synthetic production routes. Spatial variations in hetamine loads were observed with higher use in Northern European cities. Enantioselective analysis showed a general enrichment of hetamine with the R-(-)-enantiomer in wastewater indicating its abuse. High loads of racemic meth hetamine were detected in Oslo (EF = 0.49 ± 0.02). This is in contrast to other European cities where S-(+)-meth hetamine was the predominant enantiomer. This indicates different methods of meth hetamine synthesis and/or trafficking routes in Oslo, compared with the other cities tested. An enrichment of MDMA with the R-(-)-enantiomer was observed in European wastewaters indicating MDMA consumption rather than disposal of unused drug. MDA's chiral signature indicated its enrichment with the S-(+)-enantiomer, which confirms its origin from MDMA metabolism in humans. HMMA was also detected at quantifiable concentrations in wastewater and was found to be a suitable biomarker for MDMA consumption. Mephedrone was only detected in wastewater from the United Kingdom with population-normalised loads up to 47.7 mg 1000 people
Amphetamine dependence in Australia
Publisher: Elsevier BV
Date: 10-2020
The complexities associated with new psychoactive substances in influent wastewater: The case of 4‐ethylmethcathinone
Publisher: Wiley
Date: 20-07-2020
DOI: 10.1002/DTA.2890
LC-HRMS suspect screening to show spatial patterns of new psychoactive substances use in Australia
Publisher: Elsevier BV
Date: 02-2019
DOI: 10.1016/J.SCITOTENV.2018.09.348
Abstract: New Psychoactive Substances (NPS) are an ever-changing class of compounds designed to imitate the effects of current recreational drugs. Such a erse market is difficult to assess by traditional means, while collected information can become obsolete before it is available. Wastewater-based epidemiology is one technique which can capture information on where and when NPS appear at the community level. The aim of this study was to identify NPS in wastewater s les using a suspect screening approach. Weekend s les were collected from 50 wastewater treatment plants from Australian capital cities and regional areas across all eight States and Territories and screened against a database containing almost 200 NPS. A total of 22 different NPS were found across all regional and metropolitan wastewater treatment plants. Results showed that the most detected compounds were of the cathinone class, with both Alpha-PVP and methcathinone found in every region. In addition, five different synthetic cannabinoids were detected, at least once in half of the regions analysed. Herein, we report the first comprehensive nationwide analysis of NPS and show the utility of liquid chromatography-high resolution mass spectrometry screening for delivering spatial information of the NPS being consumed in communities.
Investigation of pharmaceuticals and illicit drugs in waters by liquid chromatography-high-resolution mass spectrometry
Publisher: Elsevier BV
Date: 12-2014
Harnessing the Power of the Census: Characterizing Wastewater Treatment Plant Catchment Populations for Wastewater-Based Epidemiology
Publisher: American Chemical Society (ACS)
Date: 30-07-2019
Abstract: Wastewater studies that provide per capita estimates of consumption (influent) or release (effluent) via wastewater systems rely heavily on accurate population data. This study evaluated the accuracy of Wastewater Treatment Plant (WWTP) reported populations, as well as hydrochemical parameters, against accurate populations from a population census. 104 catchment maps were received from WWTPs, geolocated in geospatial software and overlaid with the smallest area unit of the Australian census, equating to 14.9 million Australians or 64% of the national population. We characterized each catchment for population counts, as well as by age profile, income profile, and education level. For a subset of sites, population estimates using hydrochemical parameters BOD, COD, and dissolved ammonia were evaluated for accuracy against census populations. Population estimates provided by WWTP personnel were on average 18% higher than census-based populations. Furthermore, hydrochemical-based population estimates had high RSD (>44%) for BOD, COD, and ammonium between sites, suggesting that their applicability for use in population estimation may not be appropriate for every WWTP. Catchment age distributions were evaluated and 46% of catchments had skewed age distributions: 6% were skewed older, and 40% were skewed younger. Through this process WWTP catchment populations can be characterized in a way that will enhance the interpretations of per capita estimates.
Determination of 21 synthetic cathinones, phenethylamines, amphetamines and opioids in influent wastewater using liquid chromatography coupled to tandem mass spectrometry
Publisher: Elsevier BV
Date: 02-2020
DOI: 10.1016/J.TALANTA.2019.120479
Abstract: Human consumption of illicit novel psychoactive substances (NPS) is a continuing problem. New derivatives are constantly appearing, circumventing national and international laws. The use of these compounds tend to be sporadic and many are consumed as mixtures, meaning very low amounts of each are detectable at any one time. The analysis of excreted NPS in wastewater provides information on community prevalence. A wastewater-based epidemiology approach has been applied in the current study for the quantification of 21 NPS. These include three phenethylamines (25B-NBOMe, 25C-NBOMe, 25I-NBOMe), ten synthetic cathinones (3-ethylmethcathinone (3-EMC), 3-methylbuphedrone, 3-methylmethcathinone (3-MMC), 4-fluoromethcathinone (4-FMC), 4-methylbuphedrone, 4-methylethcathinone (4-MEC), buphedrone, butylone, N-ethylpentylone and pentylone), five synthetic opioid analgesics (AH-7921, butyryl fentanyl, furanyl fentanyl, U-47700 and valeryl fentanyl) as well as the synthetic hetamine 4-fluoro hemtaine (4-FA), ketamine analogue methoxetamine and methiopropamine. Limits of detection were between 0.01 and 0.5 ng/L and limits of quantification were between 0.05 and 1 ng/L. The method was applied to wastewater s les from South Australia collected over the Christmas-New Year period when recreational drug use tends to be high. Seven NPS (butylone, butyryl fentanyl, furanyl fentanyl, methoxetamine, N-ethylpentylone, pentylone and valeryl fentanyl) were found, with N-ethylpentylone showing the highest mass loads at 36 mg/day/1000 inhabitants.
LC-QTOF MS screening of more than 1,000 licit and illicit drugs and their metabolites in wastewater and surface waters from the area of Bogotá, Colombia
Publisher: Springer Science and Business Media LLC
Date: 18-06-2015
DOI: 10.1007/S00216-015-8796-X
Abstract: A large screening of around 1,000 emerging contaminants, focused on licit and illicit drugs and their metabolites, has been made in urban wastewaters (both influent and effluent) and surface waters from the area of Bogotá, Colombia. After a simple generic solid-phase extraction (SPE) step with Oasis hydrophilic-lipophilic balanced (HLB) cartridges, analyses were made by ultra high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry (UHPLC-QTOF MS) under MS(E) mode (sequential acquisition of mass spectra at low energy (LE) and high collision energy (HE)). Accurate mass measurements and the information provided by MS(E) on the presence of the (de)protonated molecule and fragment ions allowed the reliable identification of the compounds detected, even without reference standards being available in some cases (tentative identification). The compounds most frequently found were acetaminophen aracetamol, carbamazepine and its dihydro-dihydroxylated metabolite, clarithromycin, diclofenac, ibuprofen, gemfibrozil, lincomycin, losartan, valsartan, the two metabolites of metamizole (4-acetamido-antipyrine and 4-formylamino-antipyrine), sucralose, and cocaine and its main metabolite benzoylecgonine. Caffeine, the sweetener saccharin, and two hydroxylated metabolites of losartan were tentatively identified in almost all s les analyzed. Pharmaceutical lidocaine was tentatively identified and subsequently confirmed with reference standard. For the first time, a general overview of the occurrence of drugs and their metabolites in the aquatic environment of Colombia has been reported. In the near future, target methodologies, typically based on liquid chromatography coupled to tandem mass spectrometry (LC-MS/MS), will need to be set up for accurate and sensitive quantification of the contaminants selected on the basis on the information provided in the present paper.
Determination of prescribed and designer benzodiazepines and metabolites in influent wastewater
Publisher: Royal Society of Chemistry (RSC)
Date: 2020
DOI: 10.1039/D0AY00560F
Abstract: With illicit and designer benzodiazepines becoming more prevalent in the community, this work presents the validation and application of an analytical method for prescribed benzodiazepines and metabolites in wastewater.
Qualitative and quantitative temporal analysis of licit and illicit drugs in wastewater in Australia using liquid chromatography coupled to mass spectrometry
Publisher: Springer Science and Business Media LLC
Date: 06-12-2018
DOI: 10.1007/S00216-017-0747-2
Abstract: The combination of qualitative and quantitative bimonthly analysis of pharmaceuticals and illicit drugs using liquid chromatography coupled to mass spectrometry is presented. A liquid chromatography-quadrupole time of flight instrument equipped with Sequential Window Acquisition of all THeoretical fragment-ion spectra (SWATH) was used to qualitatively screen 346 compounds in influent wastewater from two wastewater treatment plants in South Australia over a 14-month period. A total of 100 compounds were confirmed and/or detected using this strategy, with 61 confirmed in all s les including antidepressants (amitriptyline, dothiepin, doxepin), antipsychotics (amisulpride, clozapine), illicit drugs (cocaine, meth hetamine, hetamine, 3,4-methylenedioxymeth hetamine (MDMA)), and known drug adulterants (lidocaine and tetramisole). A subset of these compounds was also included in a quantitative method, analyzed on a liquid chromatography-triple quadrupole mass spectrometer. The use of illicit stimulants (meth hetamine) showed a clear decrease, levels of opioid analgesics (morphine and methadone) remained relatively stable, while the use of new psychoactive substances (methylenedioxypyrovalerone (MDPV) and Alpha PVP) varied with no visible trend. This work demonstrates the value that high-frequency s ling combined with quantitative and qualitative analysis can deliver. Graphical abstract Temporal analysis of licit and illicit drugs in South Australia.
Prediction of Collision Cross-Section Values for Small Molecules: Application to Pesticide Residue Analysis
Publisher: American Chemical Society (ACS)
Date: 07-06-2017
DOI: 10.1021/ACS.ANALCHEM.7B00741
Abstract: The use of collision cross-section (CCS) values obtained by ion mobility high-resolution mass spectrometry has added a third dimension (alongside retention time and exact mass) to aid in the identification of compounds. However, its utility is limited by the number of experimental CCS values currently available. This work demonstrates the potential of artificial neural networks (ANNs) for the prediction of CCS values of pesticides. The predictor, based on eight software-chosen molecular descriptors, was optimized using CCS values of 205 small molecules and validated using a set of 131 pesticides. The relative error was within 6% for 95% of all CCS values for protonated molecules, resulting in a median relative error less than 2%. In order to demonstrate the potential of CCS prediction, the strategy was applied to spinach s les. It notably improved the confidence in the tentative identification of suspect and nontarget pesticides.
An atypical IgM class platelet cold agglutinin induces GPVI-dependent aggregation of human platelets
Publisher: Georg Thieme Verlag KG
Date: 2015
DOI: 10.1160/TH14-11-0945
Abstract: Platelet cold agglutinins (PCA) cause pseudothrombocytopenia, spurious thrombocytopenia due to ex vivo platelet clumping, complicating clinical diagnosis, but mechanisms and consequences of PCA are not well defined. Here, we characterised an atypical immunoglobulin (Ig)M PCA in a 37-year-old woman with lifelong bleeding and chronic moderate thrombocytopenia, that induces activation and aggregation of autologous or allogeneic platelets via interaction with platelet glycoprotein (GP)VI. Patient temperature-dependent pseudothrombocytopenia was EDTA-independent, but was prevented by integrin αIIbβ3 blockade. Unstimulated patient platelets revealed elevated levels of bound IgM, increased expression of activation markers (P-selectin and CD63), low GPVI levels and abnormally high thromboxane (TX)A2 production. Patient serum induced temperature- and αIIbβ3-dependent decrease of platelet count in allogeneic donorcitrated platelet-rich plasma (PRP), but not in PRP from Glanzmann’s thrombasthenia or afibrinogenaemia patients. In allogeneic platelets, patient plasma induced shape change, P-selectin and CD63 expression, 14C-serotonin release, and TXA2 production. Activation was not inhibited by aspirin, cangrelor or blocking anti-Fc receptor (FcγRIIA) antibody, but was abrogated by inhibitors of Src and Syk, and by a soluble GPVI-Fc fusion protein. GPVI-deficient platelets were not activated by patient plasma. These data provide the first evidence for an IgM PCA causing platelet activation/aggregation via GPVI. The PCA activity persisted over a five-year follow-up period, supporting a causative role in patient chronic thrombocytopenia and bleeding.
Investigating the appearance of new psychoactive substances in South Australia using wastewater and forensic data
Publisher: Wiley
Date: 12-09-2019
DOI: 10.1002/DTA.2484
Abstract: New psychoactive substances (NPS) have increased in use and popularity worldwide. Wastewater analysis has been successfully applied to evaluate illicit drugs use within a population. However, for NPS, such an approach may be limited due to low doses of NPS combined with their ever-changing composition and usage. The dynamic nature of the NPS market means use may be opportunistic, infrequent, and with few users. Hence, the use of complementary information sources is recommended to improve the knowledge on NPS consumption. The aim of this study was to investigate the changing landscape of NPS use on a community scale by combining wastewater analysis and forensic toxicology. Forensic analysis provided specific information on NPS prevalence in post-mortem blood s les in Adelaide, South Australia over five years, while wastewater analysis showed community use over the same period. A qualitative liquid chromatography--high resolution mass spectrometry method was initially used to screen the wastewater s les. A total of 24 NPS were found: 6 in wastewater only, 13 in forensic post-mortem toxicology s les only, and 5 in both. As these results showed the presence of NPS, a targeted method was subsequently employed to quantify levels of these NPS in wastewater. Temporal trends were found in wastewater with distinct tendencies for synthetic cathinones visible over the period studied.
Quantification of new psychoactive substances in Australian wastewater utilising direct injection liquid chromatography coupled to tandem mass spectrometry
Publisher: Elsevier BV
Date: 2023
DOI: 10.1016/J.TALANTA.2022.123767
Abstract: The dynamic new psychoactive substances (NPS) market presents a great challenge for public health officers, law enforcement and analytical and forensic chemists. Wastewater analysis is a complementary tool in the ongoing surveillance of these compounds but the low doses, somewhat unknown metabolism and the different chemical classes have made analytical methods difficult to develop. The current study presents a direct injection method for the quantification of 32 NPS. These include a range of classes: phenethylamines (25C-NBOMe and 4-fluoro hetamine), synthetic cathinones (3-methylmethcathinone, butylone, dibutylone, eutylone, methcathinone, N-ethylheptedrone, N-ethylhexedrone, N-ethylpentylone and pentylone), synthetic cannabinoid receptor agonists (5F-EMB-PICA, 5F-MDMB-PICA, 5F-MDMB-PINACA, AMB FUBINACA, MDMB-4en-PINACA, cumyl pegaclone and cumyl-5F-pegaclone), opioids (2-methyl AP-237, AP-238, brorphine, isotonitazene, metonitazene and protonitazene), benzodiazepines (clonazolam, etizolam, flualprazolam and flubromazolam), plant-based NPS (7-hydroxymitragynine and mitragynine) and dissociatives (2F-deschloroketamine, 2-oxo-PCE). The method was validated in terms of linearity, range, precision (interday and intraday), limit of detection and limit of quantification, while filtration losses and matrix effects were also examined. The method was applied to wastewater s les collected from New South Wales and Queensland over the 2021-22 New Year period, when recreational drug use was expected to increase. Three NPS were found: eutylone, clonazolam and etizolam, with eutylone having the highest mass loads.
Screening of pharmaceuticals and illicit drugs in wastewater and surface waters of Spain and Italy by high resolution mass spectrometry using UHPLC-QTOF MS and LC-LTQ-Orbitrap MS
Publisher: Springer Science and Business Media LLC
Date: 28-09-2015
DOI: 10.1007/S00216-015-9063-X
Abstract: The existence of pharmaceuticals and illicit drugs (PIDs) in environmental waters has led many analytical chemists to develop screening methods for monitoring purposes. Water s les can contain a huge number of possible contaminants, commonly at low concentrations, which makes their detection and identification problematic. Liquid chromatography coupled with high resolution mass spectrometry (LC-HRMS) has proven itself effective in the screening of environmental contaminants. The present work investigates the use of the most popular HRMS instruments, quadrupole time-of-flight and linear trap quadrupole-Orbitrap, from two different laboratories. A suspect screening for PIDs was carried out on wastewater (influent and effluent) and surface water s les from Castellón, Eastern Spain, and Cremona, Northern Italy, incorporating a database of 107 PIDs (including 220 fragment ions). A comparison between the findings of both instruments and of the s les was made which highlights the advantages and drawbacks of the strategies applied in each case. In total, 28 compounds were detected and/or identified by either/both instruments with irbesartan, valsartan, benzoylecgonine and caffeine being the most commonly found compounds across all s les.
Corrigendum to “Enantiomeric profiling of quinolones and quinolones resistance gene qnrS in European wastewaters” [Water Res. 175 (2020) 115653]
Publisher: Elsevier BV
Date: 09-2020
Application of catecholamine metabolites as endogenous population biomarkers for wastewater-based epidemiology
Publisher: Elsevier BV
Date: 04-2021
What is the drug of choice of young festivalgoers?
Publisher: Elsevier BV
Date: 11-2020
Enantiomeric profiling of quinolones and quinolones resistance gene qnrS in European wastewaters
Publisher: Elsevier BV
Date: 05-2020
Investigating the correlation between wastewater analysis and roadside drug testing in South Australia
Publisher: Elsevier BV
Date: 06-2018
DOI: 10.1016/J.DRUGALCDEP.2018.02.030
Abstract: The societal impact of drug use is well known. An ex le is when drug-intoxicated drivers increase the burden on policing and healthcare services. This work presents the correlation of wastewater analysis (using UHPLC-MS/MS) and positive roadside drug testing results for meth hetamine, 3,4-methylenedioxymeth hetamine (MDMA) and cannabis from December 2011-December 2016 in South Australia. Meth hetamine and MDMA showed similar trends between the data sources with matching increases and decreases, respectively. Cannabis was relatively steady based on wastewater analysis, but the roadside drug testing data started to erge in the final part of the measurement period. The ability to triangulate data as shown here validates both wastewater analysis and roadside drug testing. This suggests that changes in overall population drug use revealed by WWA is consistent and proportional with changes in drug-driving behaviours. The results show that, at higher levels of drug use as measured by wastewater analysis, there is an increase in drug driving in the community and therefore more strain on health services and police.
Critical review on the stability of illicit drugs in sewers and wastewater samples
Publisher: Elsevier BV
Date: 2016
DOI: 10.1016/J.WATRES.2015.10.040
Abstract: Wastewater-based epidemiology (WBE) applies advanced analytical methods to quantify drug residues in wastewater with the aim to estimate illicit drug use at the population level. Transformation processes during transport in sewers (chemical and biological reactors) and storage of wastewater s les before analysis are expected to change concentrations of different drugs to varying degrees. Ignoring transformation for drugs with low to medium stability will lead to an unknown degree of systematic under- or overestimation of drug use, which should be avoided. This review aims to summarize the current knowledge related to the stability of commonly investigated drugs and, furthermore, suggest a more effective approach to future experiments. From over 100 WBE studies, around 50 mentioned the importance of stability and 24 included tests in wastewater. Most focused on in-s le stability (i.e., s le preparation, preservation and storage) and some extrapolated to in-sewer stability (i.e., during transport in real sewers). While consistent results were reported for rather stable compounds (e.g., MDMA and meth hetamine), a varying range of stability under different or similar conditions was observed for other compounds (e.g., cocaine, hetamine and morphine). Wastewater composition can vary considerably over time, and different conditions prevail in different sewer systems. In summary, this indicates that more systematic studies are needed to: i) cover the range of possible conditions in sewers and ii) compare results more objectively. To facilitate the latter, we propose a set of parameters that should be reported for in-sewer stability experiments. Finally, a best practice of s le collection, preservation, and preparation before analysis is suggested in order to minimize transformation during these steps.
Critical evaluation of a simple retention time predictor based on LogKow as a complementary tool in the identification of emerging contaminants in water
Publisher: Elsevier BV
Date: 07-2015
DOI: 10.1016/J.TALANTA.2015.02.055
Abstract: There has been great interest in environmental analytical chemistry in developing screening methods based on liquid chromatography-high resolution mass spectrometry (LC-HRMS) for emerging contaminants. Using HRMS, compound identification relies on the high mass resolving power and mass accuracy attainable by these analyzers. When dealing with wide-scope screening, retention time prediction can be a complementary tool for the identification of compounds, and can also reduce tedious data processing when several peaks appear in the extracted ion chromatograms. There are many in silico, Quantitative Structure-Retention Relationship methods available for the prediction of retention time for LC. However, most of these methods use commercial software to predict retention time based on various molecular descriptors. This paper explores the applicability and makes a critical discussion on a far simpler and cheaper approach to predict retention times by using LogKow. The predictor was based on a database of 595 compounds, their respective LogKow values and a chromatographic run time of 18min. Approximately 95% of the compounds were found within 4.0min of their actual retention times, and 70% within 2.0min. A predictor based purely on pesticides was also made, enabling 80% of these compounds to be found within 2.0min of their actual retention times. To demonstrate the utility of the predictors, they were successfully used as an additional tool in the identification of 30 commonly found emerging contaminants in water. Furthermore, a comparison was made by using different mass extraction windows to minimize the number of false positives obtained.
Wastewater-based monitoring could help guide responses to the USA opioid epidemic
Publisher: Springer Science and Business Media LLC
Date: 18-05-2023
A wastewater‐based assessment of the impact of a minimum unit price (MUP) on population alcohol consumption in the Northern Territory, Australia
Publisher: Wiley
Date: 20-07-2021
DOI: 10.1111/ADD.15631
Abstract: To test if there was a reduction in alcohol consumption in wastewater s les in the Northern Territory of Australia after the implementation of a minimum unit alcohol price policy (MUP) in October 2018. Between August 2016 and February 2020, wastewater s les were collected across 66 sites in the Northern Territory and all other states and territories in Australia. S les were collected every 2 months in capital cities and every 4 months in regional places during this period. Overall, 4917 s les were taken (2816 before MUP and 2101 after). The number of standard drinks per 1000 people per day in the respective catchment areas was estimated based on the concentration of an alcohol‐specific metabolite, ethyl sulphate in the s les (using the excretion factor of ethyl sulphate, the flow of wastewater entering the wastewater treatment plants and the population of each wastewater catchment). Results from a linear mixed model showed that there was a large drop in alcohol consumption immediately after the MUP in Northern Territory [estimated drop = 1231, 99% confidence interval (CI) = 830, 1633 38.75%]. There was no significant drop in all other states/territories except for Queensland, which showed a significant but much smaller drop (estimated drop: 310 99% CI = 114, 550). One year after the MUP, the drop narrowed to 520 (99% CI = 189, 851) and was no longer statistically significant in February 2020 (15 months after MUP estimated drop = 283, 99% CI = −114, 681). Per‐capita consumption of alcohol appears to have decreased substantially in the Northern Territory of Australia immediately after the implementation of a minimum unit price but consumption steadily recovered and almost returned to the pre‐MUP consumption level after 15 months.
Improving Wastewater-Based Epidemiology for New Psychoactive Substance Surveillance by Combining a High-Throughput In Vitro Metabolism Assay and LC−HRMS Metabolite Identification
Publisher: American Chemical Society (ACS)
Date: 27-09-2023
Towards an efficient method for the extraction and analysis of cannabinoids in wastewater
Publisher: Elsevier BV
Date: 09-2020
Simultaneous determination of 24 opioids, stimulants and new psychoactive substances in wastewater
Publisher: Elsevier BV
Date: 2019
Measuring biomarkers in wastewater as a new source of epidemiological information: Current state and future perspectives
Publisher: Elsevier BV
Date: 02-2017
DOI: 10.1016/J.ENVINT.2016.12.016
Abstract: The information obtained from the chemical analysis of specific human excretion products (biomarkers) in urban wastewater can be used to estimate the exposure or consumption of the population under investigation to a defined substance. A proper biomarker can provide relevant information about lifestyle habits, health and wellbeing, but its selection is not an easy task as it should fulfil several specific requirements in order to be successfully employed. This paper aims to summarize the current knowledge related to the most relevant biomarkers used so far. In addition, some potential wastewater biomarkers that could be used for future applications were evaluated. For this purpose, representative chemical classes have been chosen and grouped in four main categories: (i) those that provide estimates of lifestyle factors and substance use, (ii) those used to estimate the exposure to toxicants present in the environment and food, (iii) those that have the potential to provide information about public health and illness and (iv) those used to estimate the population size. To facilitate the evaluation of the eligibility of a compound as a biomarker, information, when available, on stability in urine and wastewater and pharmacokinetic data (i.e. metabolism and urinary excretion profile) has been reviewed. Finally, several needs and recommendations for future research are proposed.
Anabasine-based measurement of cigarette consumption using wastewater analysis
Publisher: Wiley
Date: 26-06-2020
DOI: 10.1002/DTA.2874
Impact of COVID-19 controls on the use of illicit drugs and alcohol in Australia
Publisher: American Chemical Society (ACS)
Date: 10-08-2021
Suspect screening of large numbers of emerging contaminants in environmental waters using artificial neural networks for chromatographic retention time prediction and high resolution mass spectrometry
Publisher: Elsevier BV
Date: 12-2015
DOI: 10.1016/J.SCITOTENV.2015.08.078
Abstract: The recent development of broad-scope high resolution mass spectrometry (HRMS) screening methods has resulted in a much improved capability for new compound identification in environmental s les. However, positive identifications at the ng/L concentration level rely on analytical reference standards for chromatographic retention time (tR) and mass spectral comparisons. Chromatographic tR prediction can play a role in increasing confidence in suspect screening efforts for new compounds in the environment, especially when standards are not available, but reliable methods are lacking. The current work focuses on the development of artificial neural networks (ANNs) for tR prediction in gradient reversed-phase liquid chromatography and applied along with HRMS data to suspect screening of wastewater and environmental surface water s les. Based on a compound tR dataset of >500 compounds, an optimized 4-layer back-propagation multi-layer perceptron model enabled predictions for 85% of all compounds to within 2min of their measured tR for training (n=344) and verification (n=100) datasets. To evaluate the ANN ability for generalization to new data, the model was further tested using 100 randomly selected compounds and revealed 95% prediction accuracy within the 2-minute elution interval. Given the increasing concern on the presence of drug metabolites and other transformation products (TPs) in the aquatic environment, the model was applied along with HRMS data for preliminary identification of pharmaceutically-related compounds in real s les. Ex les of compounds where reference standards were subsequently acquired and later confirmed are also presented. To our knowledge, this work presents for the first time, the successful application of an accurate retention time predictor and HRMS data-mining using the largest number of compounds to preliminarily identify new or emerging contaminants in wastewater and surface waters.
Characteristics of known drug space. Natural products, their derivatives and synthetic drugs
Publisher: Elsevier BV
Date: 12-2010
DOI: 10.1016/J.EJMECH.2010.09.018
Abstract: Known drug space (KDS) was analysed for the occurrence of natural products and their derivatives. A database of 1000 marketed drugs was compiled. It was found that 10% of the drugs on the market are unaltered natural products, 29% are their derivatives (semi-synthetics) and the rest (61%) have a synthetic origin. Of the natural products, and their derivatives, polycyclic drugs were the most abundant at 21% followed by simple drugs (16%) and steroids (15%). In regard to the molecular descriptors the natural products had larger statistical means and standard deviations than their synthetic counterparts. It was found that KDS occupies a larger volume in chemical space with respect to drug-like chemicals, i.e., KDS fully encompasses drug-like chemical space with the parameters of molecular weight≤800 g mol(-1), log P≤6.5, hydrogen bond acceptors≤15, hydrogen bond donors≤7, polar surface area≤180 Å2, and rotatable bonds≤17. Only 13% of the drugs analysed are outside one or more of these parameters. The definition of KDS gives drug designers a larger volume to work in compared to drug-like chemical space. However, the bulk of known drugs are found within the volume of drug-like chemical space.
Advanced analytical tools for the investigation of licit and illicit drug residues in water
Publisher: Universitat Jaume I
3-Fluorophenmetrazine, a fluorinated analogue of phenmetrazine: Studies on in vivo metabolism in rat and human, in vitro metabolism in human CYP isoenzymes and microbial biotransformation in Pseudomon
Publisher: Elsevier BV
Date: 09-2016
DOI: 10.1016/J.JPBA.2016.06.011
Abstract: Wastewater-based epidemiology (WBE) as means to estimate illicit drug and new psychoactive substance (NPS) consumption with spatial and temporal resolution is gaining increasing attention. In order to evaluate a given NPS using WBE, in vivo metabolism and microbial biotransformation of excretion products and unchanged compounds need evaluation. The aims of this study were to identify in vivo phase I and II metabolites of the NPS 3-fluorophenmetrazine (3-FPM) in human and rat urine and study the in vitro contribution of Cytochrome P450 (CYP) isoenzymes in phase I metabolism. Additionally, to study microbial biotransformation products (MBPs) of 3-FPM from incubations in wastewater and in a wastewater isolated Pseudomonas Putida strain. To these aims gas chromatography and liquid chromatography coupled to mass spectrometry were applied. Metabolites and MBPs were isolated from urine and microbial incubations after solid phase extraction and precipitation with or without enzymatic conjungate cleaving. The main transformation pathways were N-oxidation, aryl hydroxylation and subsequent O-methylation, alkyl hydroxylation, oxidation, and degradation of the ethyl-bridge yielding the O/N-bis-dealkylated metabolite, combinations thereof and further glucuronidation or sulfations. The main excretion products in the human urine s le were the unchanged compound and the N-oxide, and the main MBPs were the N-oxide and hydroxylation with subsequent oxidations on the alpha-methyl position. Based on these findings, the proposed strategy for WBE analysis of 3-FPM is quantitative determination of unchanged 3-FPM together with qualitative verification of a number of selected metabolites to verify consumption and rule out discharge.
Perspectives and challenges associated with the determination of new psychoactive substances in urine and wastewater – A tutorial
Publisher: Elsevier BV
Date: 02-2021
Is rotator cuff related shoulder pain a multidimensional disorder? An exploratory study
Publisher: Walter de Gruyter GmbH
Date: 13-01-2020
Abstract: Rotator cuff related shoulder pain has been associated with factors from multiple dimensions such as strength changes, psychosocial measures, comorbidities and level of education. However, to date little research has been undertaken to evaluate which factors explain the greatest variance in pain and disability levels in people with rotator cuff related shoulder pain. The objective of this study was therefore to evaluate which multidimensional examination findings were associated with higher pain and disability in a primary care cohort with rotator cuff related shoulder pain. This was an exploratory cross-sectional cohort study. Sixty-seven participants with rotator cuff related shoulder pain were assessed for: pain intensity, disability demographic, psychological, social and lifestyle characteristics, and isometric strength of shoulder internal and external rotator muscles. Univariable associations between pain intensity/disability and each variable were assessed using linear regression. Variables with univariable associations ( p 0.1) were entered into backwards stepwise multivariable regression models. The multivariable model for pain intensity included sleep and perceived persistence and explained 46.5% of the variance (37.6% uniquely by sleep, 5.4% uniquely by perceived persistence). The multivariable model for disability included sleep and sex and explained 26.8% of the variance (4.5% shared by predictors, 16.4% uniquely by sleep, 5.9% uniquely by sex). Rotator cuff-related shoulder pain and disability are associated with sleep disturbance, perceived symptom persistence and sex. Rotator cuff related shoulder pain may be considered a multidimensional disorder. Clinicians need to evaluate sleep and perceived symptom persistence in people with rotator cuff related shoulder pain. Future research may examine whether management strategies for RCRSP directed towards these factors afford improved treatment outcomes.
Festivals following the easing of COVID-19 restrictions: Prevalence of new psychoactive substances and illicit drugs
Publisher: Elsevier BV
Date: 08-2023
The complexities associated with the detection of new psychoactive substances in wastewater
Publisher: Elsevier
Date: 2023
Related Organisations
The University Of Queensland Queensland Alliance For Environmental Health Sciences
Location: Australia
Related Funding Activities
Discovery Early Career Researcher Award - Grant ID: DE220100381
Start Date: 02-2022
End Date: 02-2025
Amount: $444,000.00
Funder: Australian Research Council
View Funded ActivityLinkage Projects - Grant ID: LP190101124
Start Date: 06-2021
End Date: 06-2025
Amount: $563,412.00
Funder: Australian Research Council
View Funded Activity