ORCID Profile
0000-0002-4541-662X
Current Organisation
RMIT University
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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)
Characterisation of Biological Macromolecules | Medicinal and Biomolecular Chemistry | Biologically Active Molecules | Chemical Characterisation of Materials | Organic Chemistry | Organic Chemical Synthesis | Food Engineering | Food Chemistry and Molecular Gastronomy (excl. Wine) | Structural Chemistry and Spectroscopy | Food Sciences | Structural Biology (incl. Macromolecular Modelling)
ANZSRC Socio-Economic Objective (SEO)
Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Biological Sciences | Beverages (excl. Fruit Juices) | Flour Mill and Cereal Food |
Related Links
Publications
Aquatic environmental assessment of the top 25 English prescription pharmaceuticals
Publisher: Elsevier BV
Date: 12-2002
DOI: 10.1016/S0043-1354(02)00227-0
Abstract: An environmental assessment is presented for the 25 most used pharmaceuticals in the National Health Service (NHS) in England in 2000. Predicted environmental concentrations (PECs) for the aquatic environment were calculated using conservative assumptions and all PECs exceeded 1 ng 1 (-1). The calculation of predicted no-effect concentration (PNEC) based on aquatic toxicity data from the literature was possible for eleven of the pharmaceuticals. PNECs were predicted with ECOSAR for 12 of the remaining 14 but no data was available for two of the compounds. The PEC/ PNEC ratio exceeded one for Paracetamol, Amoxycillin, Oxytetracycline and Mefenamic acid. Comparisons of the predicted concentrations of the compounds in sewage sludge based on either calculated sludge-water coefficients (Kd), octanol water coefficients (K(ow)), acid base constants (pKa) or environmental modelling revealed large variations. No toxicity data was available for the terrestrial environment and no assessment was made.
An omics based assessment of cadmium toxicity in the green alga Chlamydomonas reinhardtii
Publisher: Elsevier BV
Date: 2013
DOI: 10.1016/J.AQUATOX.2012.09.007
Abstract: The effects of cadmium were assessed in the freshwater alga Chlamydomonas reinhardtii. Algae were exposed to concentrations of 0, 8.1 or 114.8 μM of cadmium and growth rates, gene transcription and metabolite profiles were examined after 48 and 72 h of exposure. In algae exposed to 8.1 μM Cd, several genes were differentially transcribed after 48 h but no adverse growth related effects were detected. A transient effect on both gene transcription patterns and metabolite profiles could be discerned after 48 h of exposure but the majority of these changes disappeared after 72 h. In contrast, all effects were more pronounced at the 114.8 μM cadmium exposure. Here growth was clearly reduced and transcription of a large number of genes involved in oxidative stress defense mechanisms was differentially increased. Metabolites involved in the glutathione synthesis pathway (an important antioxidant defense) were also affected but the effects of cadmium were found to be more pronounced at the transcript level than in the metabolome, suggesting that the former exhibits greater sensitivity toward cadmium exposure.
Two-Dimensional Liquid Chromatography
Publisher: Springer Singapore
Date: 2020
Bridging the Gap: Basic Metabolomics Methods for Natural Product Chemistry
Publisher: Humana Press
Date: 2013
DOI: 10.1007/978-1-62703-577-4_18
Abstract: Natural products and their derivatives often have potent physiological activities and therefore play important roles as both frontline treatments for many diseases and as the inspiration for chemically synthesized therapeutics. However, the detection and synthesis of new therapeutic compounds derived from, or inspired by natural compounds has declined in recent years due to the increased difficulty of identifying and isolating novel active compounds. A new strategy is therefore necessary to jumpstart this field of research. Metabolomics, including both targeted and global metabolite profiling strategies, has the potential to be instrumental in this effort since it allows a systematic study of complex mixtures (such as plant extracts) without the need for prior isolation of active ingredients (or mixtures thereof). Here we describe the basic steps for conducting metabolomics experiments and analyzing the results using some of the more commonly used analytical and statistical methodologies.
The effect of a high-roughage diet on the metabolism of aromatic compounds by rumen microbes: a metagenomic study using Mehsani buffalo (Bubalus bubalis)
Publisher: Springer Science and Business Media LLC
Date: 28-12-2015
DOI: 10.1007/S00253-015-7239-0
Abstract: In developing countries, livestock are often fed a high-lignin, low-nutrient diet that is rich in aromatic compounds. It is therefore important to understand the structure of the microbial community responsible for the metabolism of these substances. A metagenomic analysis was therefore carried out to assess the microbial communities associated with the liquid and solid fractions of rumen biomaterial from domestic Mehsani buffalo (Bubalus bubalis) fed with varying proportions of roughage. The experimental design consisted of three feeding regimes (50, 75 and 100 % roughage) and two roughage types (green and dry). Genes associated with aromatic compound degradation were assessed via high-throughput DNA sequencing. A total of 3914.94 Mb data were generated from all treatment groups. Genes coding for functional responses associated with aromatic compound metabolism were more prevalent in the liquid fraction of rumen s les than solid fractions. Statistically significant differences (p < 0.05) were also observed between treatment groups. These differences were dependent on the proportion of roughage fed to the animal, with the type of roughage having little effect. The genes present in the highest abundance in all treatment groups were those related to aromatic compound catabolism. At the phylum level, Bacteroidetes were dominant in all treatments closely followed by the Firmicutes. This study demonstrates the use of feed type to selectively enrich microbial communities capable of metabolizing aromatic compounds in the rumen of domestic buffalo. The results may help to improve nutrient utilization efficiency in livestock and are thus of interest to farming industries, particularly in developing countries, worldwide.
Quantification of seasonal photo-induced formation of reactive intermediates in a municipal sewage lagoon upon sunlight exposure
Publisher: Elsevier BV
Date: 04-2021
A metabolomics based approach to assessing the toxicity of the polyaromatic hydrocarbon pyrene to the earthworm Lumbricus rubellus
Publisher: Elsevier BV
Date: 03-2008
DOI: 10.1016/J.CHEMOSPHERE.2007.08.056
Abstract: The biochemical response of the earthworm Lumbricus rubellus to pyrene exposure was assessed using 1H nuclear magnetic resonance (NMR) spectroscopy, gas chromatography mass spectrometry (GC-MS) and pattern recognition techniques. Both analytical methods enabled the establishment of reproducible metabolic profiles. NMR analysis identified a total of 32 metabolites while GC-MS identified 51. The results demonstrate that not only is pyrene toxic to L. rubellus, but that alterations in its normal metabolic profile could be observed even when in iduals were exposed to concentrations of 40mg kg(-1): a pollution level that is both below the concentration previously found to significantly reduce reproduction and within the range of polycyclic aromatic hydrocarbons (PAHs) found on some contaminated sites. Pyrene was found to cause a dose dependant decrease in lactate and the concentrations of the saturated fatty acids tetradecanoic, hexadecanoic and octadecanoic acid and an increase in production of the amino acids alanine, leucine, valine, isoleucine, lysine, tyrosine and methionine. It is proposed that this indicates impaired glucose metabolism, with an associated increase in fatty acid metabolism and changes in TCA cycle intermediates. This study demonstrates the versatility of metabolomics as a tool to monitor toxicity in the environment as opposed to utilising model species studied in a laboratory setting. Since it is a non-carcinogenic PAH, we propose that the metabolic changes observed in worms may reflect the non-specific toxic effects of pyrene as a typical, non-polar organic compound.
Functional analysis of (pristine) estuarine marine sediments
Publisher: Research Square Platform LLC
Date: 28-01-2021
DOI: 10.21203/RS.3.RS-141498/V1
Abstract: Traditional environmental monitoring techniques are well suited to resolving acute exposure effects but lack resolution in determining subtle shifts in ecosystem functions resulting from chronic exposure(s). Surveillance with sensitive omics-based technologies could bridge this gap but, to date, most omics-based environmental studies have focused on previously degraded environments, identifying key metabolic differences resulting from anthropogenic perturbations. Here, we apply ‘omic based approaches to pristine environments to establish blueprints of microbial functionality within healthy estuarine sediment communities. We collected surface sediments (n=50) from four pristine estuaries along the Western Cape York Peninsula of Far North Queensland, Australia. Sediment microbiomes were analyzed for 16S rRNA licon sequences, central carbon metabolism metabolites and associated secondary metabolites via untargeted metabolic profiling methods. Multivariate statistical analyses indicated heterogeneity amongst the s led estuaries, however, taxa-function relationships could be established and predicted community metabolism potential. Twenty-four correlated gene-metabolite pathways were identified and used to establish sediment microbial blueprints of carbon metabolism and amino acid biosynthesis. Our results establish a baseline microbial blueprint for the pristine sediment microbiome, one that drives important ecosystem services and to which future ecosurveillance monitoring can be compared.
Functional analysis of (pristine) estuarine marine sediments
Publisher: Research Square Platform LLC
Date: 11-02-2021
DOI: 10.21203/RS.3.RS-141498/V2
Abstract: Traditional environmental monitoring techniques are well suited to resolving acute exposure effects but lack resolution in determining subtle shifts in ecosystem functions resulting from chronic exposure(s). Surveillance with sensitive omics-based technologies could bridge this gap but, to date, most omics-based environmental studies have focused on previously degraded environments, identifying key metabolic differences resulting from anthropogenic perturbations. Here, we apply ‘omic based approaches to pristine environments to establish blueprints of microbial functionality within healthy estuarine sediment communities. We collected surface sediments (n=50) from four pristine estuaries along the Western Cape York Peninsula of Far North Queensland, Australia. Sediment microbiomes were analyzed for 16S rRNA licon sequences, central carbon metabolism metabolites and associated secondary metabolites via untargeted metabolic profiling methods. Multivariate statistical analyses indicated heterogeneity amongst the s led estuaries, however, taxa-function relationships could be established and predicted community metabolism potential. Twenty-four correlated gene-metabolite pathways were identified and used to establish sediment microbial blueprints of carbon metabolism and amino acid biosynthesis. Our results establish a baseline microbial blueprint for the pristine sediment microbiome, one that drives important ecosystem services and to which future ecosurveillance monitoring can be compared.
The influence of fermentation processes and cereal grains in wholegrain bread on reducing phytate content
Publisher: Elsevier BV
Date: 2014
Steroid oestrogens in the environment: an Australian perspective
Publisher: IWA Publishing
Date: 24-10-2013
DOI: 10.2166/WST.2013.508
Abstract: Endocrine disrupting compounds (EDCs) have been in the scientific spotlight since the 1980s. However, there has been much less research reported in Australia than in other developed countries and little information is known about how these compounds interact with native Australian species compared to European and North American fauna. This is of concern because Australia has distinct wildlife and environments that face increasing intensity and frequency of extreme, climatic events compared to northern hemisphere countries. Since oestrogenic compounds cannot be prevented from entering wastewater their management and removal must occur at wastewater treatment plants. Biological treatment is the most effective tool in this regard however the financial and environmental costs must be balanced with the environmental benefit to effectively plan treatment options. Since standard risk assessment models and procedures developed internationally are unlikely to translate well to Australian ecosystems, new, novel and localised research on both the monitoring and assessment of EDCs in Australian wastewater and receiving aquatic environments is recommended. This includes the development of relevant bioassays and application of treatment technologies that reflect the local community and climate.
Using 3D Printing to Visualize 2D Chromatograms and NMR Spectra for the Classroom
Publisher: American Chemical Society (ACS)
Date: 05-01-2021
Fast analysis of multiple haloacetic acids and nitrosamines in recycled and environmental waters using liquid chromatography-mass spectrometry with positive–negative switching and multiple reaction monitoring
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9AY01276A
Abstract: Using positive–negative switching to enable the faster analysis of multiple disinfection byproducts in a single run.
Effect of Fermentation and Oil Incorporation on the Retention of E Vitamers During Breadmaking
Publisher: Wiley
Date: 23-12-2014
Omics-based ecosurveillance for the assessment of ecosystem function, health, and resilience
Publisher: Portland Press Ltd.
Date: 11-04-2022
DOI: 10.1042/ETLS20210261
Abstract: Current environmental monitoring efforts often focus on known, regulated contaminants ignoring the potential effects of unmeasured compounds and/or environmental factors. These specific, targeted approaches lack broader environmental information and understanding, hindering effective environmental management and policy. Switching to comprehensive, untargeted monitoring of contaminants, organism health, and environmental factors, such as nutrients, temperature, and pH, would provide more effective monitoring with a likely concomitant increase in environmental health. However, even this method would not capture subtle biochemical changes in organisms induced by chronic toxicant exposure. Ecosurveillance is the systematic collection, analysis, and interpretation of ecosystem health-related data that can address this knowledge gap and provide much-needed additional lines of evidence to environmental monitoring programs. Its use would therefore be of great benefit to environmental management and assessment. Unfortunately, the science of ‘ecosurveillance’, especially omics-based ecosurveillance is not well known. Here, we give an overview of this emerging area and show how it has been beneficially applied in a range of systems. We anticipate this review to be a starting point for further efforts to improve environmental monitoring via the integration of comprehensive chemical assessments and molecular biology-based approaches. Bringing multiple levels of omics technology-based assessment together into a systems-wide ecosurveillance approach will bring a greater understanding of the environment, particularly the microbial communities upon which we ultimately rely to remediate perturbed ecosystems.
Assessing pre-harvest sprouting in cereals using near-infrared spectroscopy-based metabolomics
Publisher: SAGE Publications
Date: 02-2017
Abstract: This paper presents some preliminary work assessing the potential for near-infrared-based metabolomics to provide an accurate test for detecting the early germination re-harvest sprouting of grains, particularly barley and wheat. Our results indicate that near-infrared spectroscopy is not only able to determine if the grain has germinated (or started germinating) or not germinated well before shoots appear but can also provide an indication of how long the germination process has been occurring for. Since near-infrared-based methods are already well established in the grain industry, this technique has the potential to form the basis of a simple, fast test that could be used on the farm as well as during storage and transport to detect early germination and allow segregation of sound and mildly sprouted grain this could have significant economic benefits for the grain industry.
Contaminants of Emerging Concern as novel groundwater tracers for delineating wastewater impacts in urban and peri-urban areas
Publisher: Elsevier BV
Date: 12-2018
DOI: 10.1016/J.WATRES.2018.09.013
Abstract: Management and treatment of environmental impacts from wastewater treatment plants (WWTPs) is a major, worldwide, sustainability challenge. One issue associated with WWTP operation is the potential for groundwater contamination via leaking or infiltration of wastewater, particularly with inorganic nutrients (ammonia and nitrate) as well as persistent organic compounds. Despite the potential for such contamination to create environmental and health risks, conventional methods, such as the assessment of major ions, nutrients, bacteriological indicators and conventional tracers (such as stable and radiogenic isotopes) are often unable to provide accurate delineation of multiple potential sources of contamination. This is particularly important for WWTPs which often occur in urban, peri-urban or intensively farmed agricultural areas where multiple potential sources (such as livestock, fertilisers, wastewater irrigation, and domestic septic systems) may contribute similar contaminants. This review explores the applicability of promising novel groundwater tracers, such as Contaminants of Emerging Concern (CECs) and isotopic tracers, which can be used in conjunction with conventional tracers (i.e. 'co-tracers') to provide a more definitive assessment of contaminant sources, plume delineation and even (potentially) indicating the age of contamination (e.g., recent vs. legacy). The suitability of the novel groundwater tracers is evaluated according to four key criteria: (i). sufficient presence in raw wastewater and/or treated effluents (ii) diagnostic of WWTP impacts as opposed to other potential off-site contamination sources (iii) persistence in the subsurface environment and (iv) amenable to rapid and sensitive analysis. Further analysis of various classes of CECs along with improved detection limits associated with improvements in analytical methodologies should allow for future application of promising groundwater tracers, providing WWTP operators and regulatory authorities a more definitive toolbox with which to assess groundwater contamination associated with site operations. These include: persistent pharmaceuticals and personal care products (carbamazepine, crotamiton, primidone, atenolol and sulfamethoxazole), artificial sweeteners (acesulfame, sucralose, saccharin and cyclamate) and potentially, certain pesticides (atrazine and simazine).
Questioning the Excessive Use of Advanced Treatment to Remove Organic Micropollutants from Wastewater
Publisher: American Chemical Society (ACS)
Date: 15-06-2007
DOI: 10.1021/ES0628248
Abstract: Pollution from endocrine disrupting compounds and related micropollutants is widely regarded as a major environmental issue on both a regional and a global scale, largely due to concerns over risks to human and ecological health. Between 2005 and 2010, the United Kingdom is conducting a demonstration program, costing approximately 40 million (approximately $80 million atthe time of writing), to evaluate technologies to remove these compounds from wastewater. However, while such advanced treatment techniques will undoubtedly reduce the discharges of micropollutants, they will also inevitably result in large financial costs, as well as environmentally undesirable increases in energy consumption and CO2 emissions. Here we calculate the price of treating urban sewage with two of the major options specifically proposed in the U.K. demonstration program: (i) granular activated carbon and ozone and (ii) membrane filtration and reverse osmosis. Economic analysis indicates thattreating wastewater with these advanced technologies may be economically and environmentally undesirable due to the increased energy consumption and associated economic costs and CO2 emissions. Since the costs of advanced treatment of sewage would most likely have to be passed on to customers (both domestic and industrial), we propose that national demonstration programs should not only compare and contrast the most advanced treatment methods but also consider alternative techniques, such as increased sludge ages and hydraulic retention times in conjunction with nutrient removal stages and the varying redox conditions associated with them, which potentially may be almost as effective but with much lower environmental and financial costs.
Heptane as a less toxic option than hexane for the separation of vitamin E from food products using normal phase HPLC
Publisher: Royal Society of Chemistry (RSC)
Date: 2013
DOI: 10.1039/C3RA44442B
Disinfection By-products in Recycled Waters
Publisher: Springer International Publishing
Date: 29-05-2018
Recent applications of benchtop NMR spectroscopy and relaxometry
Publisher: Elsevier
Date: 2023
Assessment of arsenic in Australian grown and imported rice varieties on sale in Australia and potential links with irrigation practises and soil geochemistry
Publisher: Elsevier BV
Date: 11-2015
DOI: 10.1016/J.CHEMOSPHERE.2014.12.048
Abstract: Chronic dietary exposure to arsenic, particularly the inorganic forms (defined as elemental arsenic, predominantly As(3+) and As(5+), and all its inorganic compounds except arsine), is a matter of concern for human health. Ingestion of arsenic usually occurs via contaminated water but recent studies show there is also a risk of exposure from food, particularly Asian rice (Oryza sativa). Australia is a rice growing country, contributing around 2% of the world rice trade, and a large proportion of the population consumes rice regularly. In the present study we investigated concentrations of arsenic in both Australian grown and imported rice on sale in Australia and examined the potential links with irrigation practises and soil geochemistry. The results indicated a wide spread of arsenic levels of 0.09-0.33 mg kg(-1), with Australian grown Arborio and sushi varieties of O. sativa containing the highest mean value of ∼0.22 mg kg(-1). Arsenic levels in all s les were below the 1 mg kg(-1) limit set by Food Standards Australia New Zealand.
The effect of fermentation and addition of vegetable oil on resistant starch formation in wholegrain breads
Publisher: Elsevier BV
Date: 08-2015
DOI: 10.1016/J.FOODCHEM.2015.02.044
Abstract: Resistant starch has potential health benefits but the factors affecting its formation in bread and baked products are not well studied. Here, the formation of resistant starch in wholemeal bread products was evaluated in relation to the processing conditions including fermentation time, temperature and the inclusion of palm oil as a vitamin source. The effects of each the factor were assessed using a full factorial design. The impact on final starch content of traditional sourdough fermentation of wholemeal rye bread, as well as the bulk fermentation process of wheat and wheat/oat blends of wholemeal bread, was also assessed by enzyme assay. Palm oil content was found to have a significant effect on the formation of resistant starch in all of the breads while fermentation time and temperature had no significant impact. Sourdough fermentation of rye bread was found to have a greater impact on resistant starch formation than bulk fermentation of wheat and wheat blend breads, most likely due the increased organic acid content of the sourdough process.
Cellular acidosis in rodents exposed to cadmium is caused by adaptation of the tissue rather than an early effect of toxicity
Publisher: Elsevier BV
Date: 12-2007
DOI: 10.1016/J.CBD.2007.06.003
Abstract: Proton ((1)H) Nuclear Magnetic Resonance (NMR) spectroscopy was used to investigate the biochemical response of bank voles and wood mice (two wild rodent species frequently found on metal-contaminated sites) to chronic cadmium (Cd) insult. Similar effects, in terms of both metabolic changes (consistent with cellular acidosis) and induced metallothionin (MT) production were observed in all animals. These changes appeared to be an adaptation of the liver to toxic insult rather than onset of a toxic effect, and, in common with previous studies, were more marked in bank voles than wood mice. This may have reflected the greater Cd intake and assimilation of the former but was not explained by differences in concentrations of free (non MT-bound) Cd concentrations of which were negligible in both voles and mice. Responses to Cd insult were detected in both species even though their bodies contained cadmium concentrations well below the World Health Organisation critical renal concentration of 200 mug/g dry mass.
1H NMR-based metabolomics reveals interactive effects between the carrier solvent methanol and a pharmaceutical mixture in an amphibian developmental bioassay with Limnodynastes peronii
Publisher: Elsevier BV
Date: 05-2018
DOI: 10.1016/J.CHEMOSPHERE.2018.02.063
Abstract: Organic carrier solvents are used in aquatic toxicity testing to improve chemical solubility and facilitate the exploration of dose-response relationships. Both water- and solvent-control groups are normally included in these scenarios to ensure that the solvent itself has no effect on the test organism, but this fails to consider possible interactive effects between carrier solvents and contaminants of interest. We explored this topic by exposing Limnodynastes peronii tadpoles to a mixture of common water-soluble pharmaceuticals (diclofenac, metformin and valproic acid) in the presence and absence of the carrier solvent methanol, according to standard developmental bioassay methodology. Nuclear Magnetic Resonance (NMR) spectroscopy was applied as a platform for untargeted metabolomics, to compare broad sub-lethal hepatotoxicity in solvent- and solvent-free exposure scenarios. Considerable interactive effects were identified between the pharmaceutical mixture and a typical dose of methanol (0.003%). Specifically, pronounced differences were observed between the solvent- and solvent-free exposure groups for leucine, acetate, glutamine, citrate, glycogen, tyrosine, arginine, purine nucleotides and an unidentified metabolite at 6.53 ppm. Various other metabolites exhibited similar disparity related to the use of carrier solvent, but the interactions were non-significant. These results raise important questions about the use of carrier solvents for chemical exposures in aquatic ecotoxicology, and particularly for studies interested in sub-lethal mechanistic information and/or biomarker discovery.
Avian keratin fibre-based bio-composites
Publisher: Emerald
Date: 12-06-2017
Abstract: This paper aims to use the solvent–casting–evaporation method to prepare new bio-composites with thermoplastic poly(ether urethane) (TPU-polyether) as the polymer matrix and reinforced with natural chicken feather fibre (CFF). To produce the bio-composites, 0 to 60 per cent·w/w of fibres in steps of 30 per cent·w/w were added to the polymer matrix. The uniformity of distribution of the keratin fibres in the polymer matrix was investigated via scanning electron microscopy, and the results suggested compatibility of the TPU-polyether matrix with the CFFs, thereby implying effective fibre–polymer interactions. Addition of natural fibres to the polymer was found to decrease the mass loss of the composites at higher temperatures and decrease the glass transition temperature, as well as the storage and loss modulus, at lower temperatures, while increasing the remaining char ratio, storage modulus and loss modulus at higher temperatures. The investigation confirmed that waste keratin CFF can improve the thermo-mechanical properties of composites, simply and cheaply, with potentially large environmental and economic benefits.
Metabolic profiling of Mytilus galloprovincialis and its potential applications for pollution assessment
Publisher: Inter-Research Science Center
Date: 13-10-2008
DOI: 10.3354/MEPS07654
Multi-Dimensional Liquid Chromatography and Metabolomics: Are Two Dimensions Better Than One?
Publisher: Bentham Science Publishers Ltd.
Date: 11-05-2007
Is substrate choice an overlooked variable in ecotoxicology experiments?
Publisher: Springer Science and Business Media LLC
Date: 30-01-2023
DOI: 10.1007/S10661-023-10935-1
Abstract: It is crucial to understand the effects caused by experimental parameters such as temperature, light, and food type on lab and field-based ecotoxicology experiments, as these variables, and combinations thereof, can affect results. The type of substrate used in exposure experiments, however, is generally assumed to have no effect. This may not always be correct. The metabolic changes in the freshwater crustacean, Austrochiltonia subtenuis exposed to copper, using three common substrates, gauze toilet paper and cellulose were investigated. Substrate alone did not affect survival, but each substrate elicited a different metabolic response and adult and juvenile hipods had different substrate preferences. Several classes of metabolites were shown to change in response to different substrates and toxicant. These included disaccharides, monosaccharides, fatty acids, and tricarboxylic acid cycle intermediates. The results illustrate that metabolomic responses can differ in response to experimental factors that were previously thought not to be significant. In fact, our data indicate that substrate should be viewed as an experimental factor as important to control for as more well-known confounders such as temperature or food, thus challenging the current paradigm. Assuming substrate type has no effect on the experiment could potentially lead to errors in contaminant toxicity assessments. We propose that ideal good practise would be that all experimental factors should be evaluated for their potential influence on metabolomic profiles prior to contaminant response experiments being undertaken.
Natural Product Chemistry in Action: The Synthesis of Melatonin Metabolites K1 and K2
Publisher: Humana Press
Date: 2013
DOI: 10.1007/978-1-62703-577-4_12
Abstract: Natural product chemistry often yields new compounds with great potential for economic and/or health benefits. However, most natural compounds must be artificially synthesized on an industrial scale to generate enough active ingredients to be commercially viable. Thus chemical synthesis is an essential tool of natural product chemistry. Chemical synthesis may be defined as the purposeful execution of a series of chemical reactions in order to obtain a product(s) of interest or to demonstrate important methodologies. Organic synthesis is (unsurprisingly) specifically concerned with the construction of organic compounds, which are often of an exceedingly high level of structural complexity. Each step of any form of chemical synthesis involves a chemical reaction, and the reagents and conditions for each of these need to be designed to give a good yield and a pure product. Here we illustrate this methodology using a simple protocol for the synthesis of the metabolites of the natural product melatonin, the kynurenamines N1-acetyl-N2-formyl-5-methoxykynurenine (K1) and N-acetyl-5-methoxykynurenamine (K2). The four key synthetic transformations involve (a) conversion of 4-methoxy aniline into the tert-butyl (4-methoxyphenyl)carbamate, (b) ortho-lithiation-iodination with tert-butyllithium-1,2-iodoethane, (c) use of the Sonogashira reaction with N-acetyl propargylamine, and (d) sequential alkyne hydration/formylation to give (K1) or alkyne to give (K2).
Mass Spectrometry-Based Metabolomics. Sample Preparation, Data Analysis, and Related Analytical Approaches
Publisher: Springer Netherlands
Date: 2011
Factors that influence growth and bacteriocin production in Lactiplantibacillus plantarum B21
Publisher: Elsevier BV
Date: 08-2021
Surface Enhanced Raman Spectroscopy in environmental analysis, monitoring and assessment
Publisher: Elsevier BV
Date: 06-2020
Is Australia ready for fentanyl?
Publisher: Elsevier BV
Date: 09-2018
Partitioning Behavior of Five Pharmaceutical Compounds to Activated Sludge and River Sediment
Publisher: Springer Science and Business Media LLC
Date: 15-11-2005
DOI: 10.1007/S00244-005-1095-3
Abstract: Pharmaceutical substances have been detected in sewage effluents as well as receiving waters in many parts of the world. To assess the fate and removal of these compounds within sewage treatment plants, an understanding of their partitioning behavior between the solid and aqueous phases is critical. Therefore, a preliminary study was conducted to ascertain an understanding of the binding behavior of five drug substances sorbing to the solid phase in a laboratory scale-activated sludge plant (Husmann unit). For comparison, uncontaminated river sediment was also used as a substrate. All of the compounds tested partitioned more readily to the sludge than the sediment, likely because of the former's higher organic carbon content. Partitioning to the solid phase correlated roughly with predicted log Kow values. A period of initial sorption was followed by a phase of desorption, and net absorption of the selected drugs (with the exception of mefenamic acid) after 5 hours of mixing was minimal.
Off-line two-dimensional liquid chromatography for metabolomics: an example using Agaricus bisporus mushrooms exposed to UV irradiation
Publisher: Springer Science and Business Media LLC
Date: 13-11-2015
Pharmaceuticals: a threat to drinking water?
Publisher: Elsevier BV
Date: 04-2005
DOI: 10.1016/J.TIBTECH.2005.02.001
Abstract: Recently, considerable interest has developed regarding the presence of pharmaceuticals in the environment, but there has been comparatively little study on the potential of these substances to enter potable supplies. This is surprising because drinking water would provide a direct route into the body for any drugs that might be present. Although many countries employ advanced treatments, such as granular activated carbon, membrane technologies, ozonation and ultraviolet radiation, for treating water intended for human consumption, some compounds have been shown to be unaffected by such processes. Here, we examine the levels of drug substances reported in drinking water around the world. The possible implications of the presence of these compounds are highlighted and assessed, and recommendations are made for further research.
Synthesis and Olfactory Properties of 2-Substituted and 2,3-Annulated 1,4-Dioxepan-6-ones
Publisher: Wiley
Date: 10-08-2015
Environmental pollution and diabetes: a neglected association
Publisher: Elsevier BV
Date: 2008
A Simplified Method for the 3D Printing of Molecular Models for Chemical Education
Publisher: American Chemical Society (ACS)
Date: 13-11-2018
Evapotranspiration and biogeochemical regulation in a mountain peatland: insights from eddy covariance and ionic balance measurements
Publisher: Elsevier BV
Date: 08-2021
Morphological and ultrastructural changes in Lactobacillus plantarum B21 as an indicator of nutrient stress
Publisher: Elsevier BV
Date: 06-2018
Potential New Method of Mixture Effects Testing Using Metabolomics and Caenorhabditis elegans
Publisher: American Chemical Society (ACS)
Date: 11-01-2012
DOI: 10.1021/PR201142C
Abstract: The development of superior tools for molecular and computational biology in recent years has provided an opportunity for the creation of faster toxicological screens that are relevant for, but do not rely on, mammalian systems. In this study, NMR spectroscopy and GC-MS based metabolomics have been used in conjunction with multivariate statistics to examine the metabolic changes in the nematode Caenorhabditis elegans following exposure to different concentrations of the heavy metal nickel, the pesticide chlorpyrifos, and their mixture. Novel metabolic profiles were associated with both exposure and dose level. The biochemical responses were more closely matched when exposure was at the same effect level, even for different chemicals, than when exposure was for different levels of the same chemical (e.g., low versus high dose). Responses to the mixture reflected the contribution of the chemicals to the overall exposure. In common with the metabolic responses of several other species exposed to the same chemicals, we observed changes in branch chain amino acids and tricarboxylic acid cycle intermediates. These results form the basis for a rapid and economically viable toxicity test that defines the molecular effects of pollution/toxicant exposure in a manner that is relevant to higher vertebrates.
Community Metabolomics in Environmental Microbiology
Publisher: Springer International Publishing
Date: 2016
Vitamin B1 in critically ill patients: Needs and challenges
Publisher: Walter de Gruyter GmbH
Date: 2017
Abstract: Thiamine has a crucial role in energy production, and consequently thiamine deficiency (TD) has been associated with cardiac failure, neurological disorders, oxidative stress (lactic acidosis and sepsis) and refeeding syndrome (RFS). This review aims to explore analytical methodologies of thiamine compound quantification and highlight similarities, variances and limitations of current techniques and how they may be relevant to patients. An electronic search of Medline, PubMed and Embase databases for original articles published in peer-reviewed journals was conducted. MethodsNow was used to search for published analytical methods of thiamine compounds. Keywords for all databases included “thiamine and its phosphate esters”, “thiamine methodology” and terms related to critical illness. Enquiries were also made to six external quality assurance (EQA) programme organisations for the inclusion of thiamine measurement. A total of 777 published articles were identified 122 were included in this review. The most common published method is HPLC with florescence detection. Two of the six EQA organisations include a thiamine measurement programme, both measuring only whole-blood thiamine pyrophosphate (TPP). No standard measurement procedure for thiamine compound quantification was identified. Overall, there is an absence of standardisation in measurement methodologies for thiamine in clinical care. Consequently, multiple variations in method practises are prohibiting the comparison of study results as they are not traceable to any higher order reference. Traceability of certified reference materials and reference measurement procedures is needed to provide an anchor to create the link between studies and help bring consensus on the clinical importance of thiamine.
What are the effects of PFAS exposure at environmentally relevant concentrations?
Publisher: Elsevier BV
Date: 11-2020
Sixty-five years since the New York heat wave: Advances in sweat testing for cystic fibrosis
Publisher: Wiley
Date: 19-11-2014
DOI: 10.1002/PPUL.22945
Abstract: The sweat test remains important as a diagnostic test for cystic fibrosis (CF) and has contributed greatly to our understanding of CF as a disease of epithelial electrolyte transport. The standardization of the sweat test, by Gibson and Cooke [Gibson and Cooke (1959) Pediatrics 1959 :5], followed observations of excessive dehydration amongst patients with CF and confirmed the utility as a diagnostic test. Quantitative pilocarpine iontophoresis remains the gold standard for sweat induction, but there are a number of collection and analytical methods. The pathophysiology of electrolyte transport in sweat was described by Quinton [Quinton (1983) Nature 1983 :421-422], and this complemented the developments in genetics that discovered the cystic fibrosis transmembrane conductance regulator (CFTR), an epithelial-based electrolyte transport protein. Knowledge of CF has since increased rapidly and further developments in sweat testing include: new collection methods, further standardization of the technique with international recommendations and age related reference intervals. More recently, sweat chloride values have been used as proof of effect for the new drugs that activate CFTR. However, there remain issues with adherence to sweat test guidelines in many countries and there are gaps in our knowledge, including reference intervals for some age groups and stability of sweat s les in transport. Furthermore, modern methods of elemental quantification need to be explored as alternatives to the original analytical methods for sweat electrolyte measurement. The purpose of this review is therefore to describe the development of the sweat test and consider future directions.
Using metabolic profiling to assess plant-pathogen interactions: an example using rice (Oryza sativa) and the blast pathogen Magnaporthe grisea
Publisher: Springer Science and Business Media LLC
Date: 30-11-2010
Screening of cannabinoids in industrial-grade hemp using two-dimensional liquid chromatography coupled with acidic potassium permanganate chemiluminescence detection
Publisher: Wiley
Date: 07-05-2022
Abstract: Widely known for its recreational use, the cannabis plant also has the potential to act as an antibacterial agent in the medicinal field. The analysis of cannabis plants roducts in both pharmacological and forensic studies often requires the separation of compounds of interest and/or accurate identification of the whole cannabinoid profile. In order to provide a complete separation and detection of cannabinoids, a new two-dimensional liquid chromatography method has been developed using acidic potassium permanganate chemiluminescence detection, which has been shown to be selective for cannabinoids. This was carried out using a Luna 100 Å CN column and a Poroshell 120 EC-C18 column in the first and second dimensions, respectively. The method has utilized a large amount of the available separation space with a spreading angle of 48.4° and a correlation of 0.66 allowing the determination of more than 120 constituents and mass spectral identification of ten cannabinoids in a single analytical run. The method has the potential to improve research involved in the characterization of sensitive, complex matrices.
Review of recent developments in GC–MS approaches to metabolomics-based research
Publisher: Springer Science and Business Media LLC
Date: 11-2018
DOI: 10.1007/S11306-018-1449-2
Abstract: Metabolomics aims to identify the changes in endogenous metabolites of biological systems in response to intrinsic and extrinsic factors. This is accomplished through untargeted, semi-targeted and targeted based approaches. Untargeted and semi-targeted methods are typically applied in hypothesis-generating investigations (aimed at measuring as many metabolites as possible), while targeted approaches analyze a relatively smaller subset of biochemically important and relevant metabolites. Regardless of approach, it is well recognized amongst the metabolomics community that gas chromatography-mass spectrometry (GC-MS) is one of the most efficient, reproducible and well used analytical platforms for metabolomics research. This is due to the robust, reproducible and selective nature of the technique, as well as the large number of well-established libraries of both commercial and 'in house' metabolite databases available. This review provides an overview of developments in GC-MS based metabolomics applications, with a focus on s le preparation and preservation techniques. A number of chemical derivatization (in-time, in-liner, offline and microwave assisted) techniques are also discussed. Electron impact ionization and a summary of alternate mass analyzers are highlighted, along with a number of recently reported new GC columns suited for metabolomics. Lastly, multidimensional GC-MS and its application in environmental and biomedical research is presented, along with the importance of bioinformatics. The purpose of this review is to both highlight and provide an update on GC-MS analytical techniques that are common in metabolomics studies. Specific emphasis is given to the key steps within the GC-MS workflow that those new to this field need to be aware of and the common pitfalls that should be looked out for when starting in this area.
Metabolic Insights Into the Effects of Nutrient Stress on Lactobacillus plantarum B21
Publisher: Frontiers Media SA
Date: 30-08-2019
Predicted environmental concentration and fate of the top 10 most dispensed Australian prescription pharmaceuticals
Publisher: Springer Science and Business Media LLC
Date: 04-02-2018
DOI: 10.1007/S11356-018-1343-5
Abstract: A basic environmental risk assessment was carried out for the top 10 dispensed pharmaceuticals in Melbourne, Australia, in contrast to the more commonly assessed measure of the most used drugs by physical mass. This allowed for the evaluation of compounds that had not previously been the subject of risk assessment. Estimations of the possible fate and behaviour of the target pharmaceuticals in sewage treatment plants were also made. The predicted removal rates of most drugs within standard sewage treatment were expected to be low, with the exception of the statins, which had high removal rates. Each pharmaceutical was predicted to be present in Melbourne wastewater at the nanogram per litre range or lower. All compounds were predicted to be of low toxicity risk, although it was not possible to model mixture effects. Atorvastatin and Irbesartan were also found to possess the potential to possibly bioaccumulate in the aquatic food chain but not to the extent that would require regulation or labelling.
Omic analyses unravels global molecular changes in the brain and liver of a rat model for chronic Sake (Japanese alcoholic beverage) intake
Publisher: Wiley
Date: 04-2009
Abstract: The effects of chronic administration of Sake (Japanese alcoholic beverage, Nihonshu) on brain and liver of female F334 (Fisher) rats were surveyed via global omic analyses using DNA microarray, 2-DE, and proton nuclear magnetic resonance. Rats weaned at 4 wk of age were given free access to Sake (15% alcohol), instead of water. At 13 months of age, and 24 h after withdrawal of Sake supply, rats were sacrificed, and the whole brain and liver tissues dissected for analyses. In general, molecular changes in brain were found to be less than those in liver. Transcriptomics data revealed 36 and 9, and 80 and 62 up- and down-regulated genes, in the brain and liver, respectively, with binding and catalytic activity gene categories the most prominently changed. Results suggested Sake-induced fragility of brain and liver toxicity/damage, though no significant abnormalities in growth were seen. At protein level, a striking decrease was found in the expression of NADH dehydrogenase (ubiquinone) Fe-S protein 1 in brain, suggesting attenuation of mitochondrial metabolism. In liver, results again suggested an attenuation of mitochondrial function and, in addition, glycoproteins with unknown function were induced at protein and gene levels, suggesting possible changes in glycoprotein binding in that organ. Metabolomic analysis of brain revealed significant increases in valine, arginine/ornithine, alanine, glutamine, and choline with decreases in isoleucine, N-acetyl aspartate, taurine, glutamate, and gamma aminobutyric acid. Our results provide a detailed inventory of molecular components of both brain and liver after Sake intake, and may help to better understand effects of chronic Sake drinking.
Energy cost of intracellular metal and metalloid detoxification in wild-type eukaryotic phytoplankton
Publisher: Oxford University Press (OUP)
Date: 2016
DOI: 10.1039/C6MT00049E
Abstract: Microalgae use various cellular mechanisms to detoxify both non-essential and excess essential metals or metalloids. There exists however, a threshold in intracellular metal(loid) concentrations beyond which detoxification mechanisms are no longer effective and inhibition of cell ision inevitably occurs. It is therefore important to determine whether the availability of energy in the cell could constrain metal(loid) detoxification capacity and to better define the thresholds beyond which a metal(loid) becomes toxic. To do this we performed the first extensive bioenergetics analysis of intracellular metal(loid) detoxification mechanisms (e.g., metal-binding peptides, polyphosphate granules, metal efflux, metal and metalloid reduction, metalloid methylation, enzymatic and non-enzymatic antioxidants) in wild-type eukaryotic phytoplankton based on the biochemical mechanisms of each detoxification strategy and on experimental measurements of detoxifying biomolecules in the literature. The results show that at the onset of metal(loid) toxicity to growth, all the detoxification strategies considered required only a small fraction of the total cellular energy available for growth indicating that intracellular detoxification ability in wild-type eukaryotic phytoplankton species is not constrained by the availability of cellular energy. The present study brings new insights into metal(loid) toxicity mechanisms and detoxification strategies in wild-type eukaryotic phytoplankton.
Extraction of keratin from waste chicken feathers using sodium sulfide and l-cysteine
Publisher: Elsevier BV
Date: 07-2019
A metabolomics based test of independent action and concentration addition using the earthworm Lumbricus rubellus
Publisher: Springer Science and Business Media LLC
Date: 04-04-2012
DOI: 10.1007/S10646-012-0897-0
Abstract: A major challenge in ecotoxicology is to understand the effects of multiple toxicants on organisms. Here we assess the effects on survival, weight change, cocoon production and metabolism caused by exposure to two similarly acting (imidacloprid/thiacloprid) and two dissimilarly acting (chlorpyrifos/Nickel) chemicals on the earthworm Lumbricus rubellus. We assessed the standard models of concentration addition (CA) and independent action (IA), in conjunction with a metabolomics based approach to elucidate mechanisms of effect. For imidacloprid and thiacloprid the reproductive effects indicated probable additivity. Although this suggests joint effects through a similar mechanism, metabolite changes for each pesticide actually indicated distinct effects. Further, earthworms exposed to a 0.5 toxic unit equitoxic mixture demonstrated metabolic effects intermediate between those for each pesticide, indicating a non-interactive, independent joint effect. For higher effect level mixtures (1 and 1.5 toxic units), metabolite changes associated with thiacloprid exposure began to dominate. The metabolomic effects of the two dissimilarly acting chemicals were distinct, confirming separate modes of action and both proved more toxic than anticipated from previous studies. In the mixtures, phenotypic effects were in accordance with IA estimates, while metabolite changes were dominated by Ni effects, even though chlorpyrifos contributed most to reproductive toxicity. This could be attributed to the greater systematic effect of Ni when compared to the more specifically acting chlorpyrifos.
Chapter 3.3 Ecotoxicity of pharmaceuticals
Publisher: Elsevier
Date: 2007
Video with Impact: Access to the World’s Magnetic-Resonance Experts for the Scientific-Education Community
Publisher: American Chemical Society (ACS)
Date: 03-12-2018
Illuminating the dark metabolome to advance the molecular characterisation of biological systems
Publisher: Springer Science and Business Media LLC
Date: 19-07-2018
DOI: 10.1007/S11306-018-1396-Y
Abstract: The latest version of the Human Metabolome Database (v4.0) lists 114,100 in idual entries. Typically, however, metabolomics studies identify only around 100 compounds and many features identified in mass spectra are listed only as 'unknown compounds'. The lack of ability to detect all metabolites present, and fully identify all metabolites detected (the dark metabolome) means that, despite the great contribution of metabolomics to a range of areas in the last decade, a significant amount of useful information from publically funded studies is being lost or unused each year. This loss of data limits our potential gain in knowledge and understanding of important research areas such as cell biology, environmental pollution, plant science, food chemistry and health and biomedical research. Metabolomics therefore needs to develop new tools and methods for metabolite identification to advance as a field. In this critical review, some potential issues with metabolite identification are identified and discussed. New and novel emerging technologies and tools which may contribute to expanding the number of compounds identified in metabolomics studies (thus illuminating the dark metabolome) are reviewed. The aim is to stimulate debate and research in the molecular characterisation of biological systems to drive forward metabolomic research. The work specifically discusses dynamic nuclear polarisation nuclear magnetic resonance spectroscopy (DNP-NMR), non-proton NMR active nuclei, two-dimensional liquid chromatography (2DLC) and Raman spectroscopy (RS). It is suggested that developing new methods for metabolomics with these techniques could lead to advances in the field and better characterisation of biological systems.
Regulated and emerging disinfection by-products in recycled waters
Publisher: Elsevier BV
Date: 10-2018
DOI: 10.1016/J.SCITOTENV.2018.04.391
Abstract: Disinfection is an integral component of water treatment performed daily on large volumes of water worldwide. Chemical disinfection may result in the unintended production of disinfectant by-products (DBPs) due to reactions between disinfectants and natural organic matter present in the source water. Due to their potential toxicity, levels of DBPs have been strictly regulated in drinking waters for many years. With water reuse now becoming more common around the world DBPs are increasingly becoming a concern in recycled waters, where a much larger amount and variety of compounds may be formed due to a higher abundance and ersity of organic material in the source waters. Regulation of DBPs in recycled waters is limited generally, drinking water regulations are applied in place of specific guidelines for recycled waters. Such regulations are set for only 11, commonly observed, compounds of the 600+ that may, potentially, be found. In this review an overview of current research in this area is provided, the types of compounds that have been observed, methods for their analysis and possible regulation are also discussed. Through this review it is evident that there is a knowledge gap for the occurrence of DBPs in recycled waters, especially when comparing this information to that available for drinking waters. The concentrations of DBPs observed in recycled waters are seen to be higher than those in drinking water, though still within potable threshold limits. It is clear that there is a need for the analysis and understanding of a larger suite of compounds in recycled waters, as these will most likely be the source of future, global renewable water.
Sweat travels: The issue of sweat chloride transportation
Publisher: Walter de Gruyter GmbH
Date: 21-07-2018
Micro versus macro solid phase extraction for monitoring water contaminants: A preliminary study using trihalomethanes
Publisher: Elsevier BV
Date: 04-2015
DOI: 10.1016/J.SCITOTENV.2015.01.057
Abstract: Solid phase extraction is one of the most commonly used pre-concentration and cleanup steps in environmental science. However, traditional methods need electrically powered pumps, can use large volumes of solvent (if multiple s les are run), and require several hours to filter a s le. Additionally, if the cartridge is open to the air volatile compounds may be lost and s le integrity compromised. In contrast, micro cartridge based solid phase extraction can be completed in less than 2 min by hand, uses only microlitres of solvent and provides comparable concentration factors to established methods. It is also an enclosed system so volatile components are not lost. The s le can also be eluted directly into a detector (e.g. a mass spectrometer) if required. However, the technology is new and has not been much used for environmental analysis. In this study we compare traditional (macro) and the new micro solid phase extraction for the analysis of four common volatile trihalomethanes (trichloromethane, bromodichloromethane, dibromochloromethane and tribromomethane). The results demonstrate that micro solid phase extraction is faster and cheaper than traditional methods with similar recovery rates for the target compounds. This method shows potential for further development in a range of applications.
A candidate reference method for sweat chloride measurement by ICP-MS to aid in the investigation of cystic fibrosis
Publisher: Elsevier BV
Date: 06-2014
Chemical fingerprinting of petrochemicals for arson investigations using two-dimensional gas chromatography - flame ionisation detection and multivariate analysis
Publisher: Elsevier BV
Date: 07-2020
DOI: 10.1016/J.SCIJUS.2020.04.004
Abstract: Two-dimensional gas chromatography is a mature, yet underutilised, separation technique able to provide the high resolution and peak capacity required for the study of complex s les such as oils. This paper presents the development of a comprehensive two-dimensional gas chromatography method with flame ionisation detection to profile easily available ignitable liquids commonly found in arson cases. The use of 2D chromatograms to profile different potential ignitable liquids was also explored for classification purposes. The chemical fingerprints produced were visually different and allowed the distinction of all the petroleum products tested. How the chemical fingerprints of each fuel changed over time was also assessed. Each s le was subjected to weathering with aliquots (1 mL) being collected every half hour for a five-hour period. Principal component analysis of the resulting data was able to demonstrate the effect of weathering for all fuels tested and established that it was still possible to differentiate between the various petrochemicals even after weathering. The work demonstrates an optimised analytical method for petrochemical product analysis that provides forensic scientists with a robust, fast and sensitive technique that can be used to determine not only which ignitable liquid was used in a fire (even after the fact) but also provide information on the specific fuel used.
Human Pharmaceuticals in Wastewater Treatment Processes
Publisher: Informa UK Limited
Date: 07-2005
Metabolomics and its use in ecology
Publisher: Wiley
Date: 14-01-2013
DOI: 10.1111/AEC.12019
Copper toxicity in the microalga Chlamydomonas reinhardtii: an integrated approach
Publisher: Springer Science and Business Media LLC
Date: 18-06-2013
DOI: 10.1007/S10534-013-9648-9
Abstract: The effects of copper exposure at five different concentrations on the freshwater alga Chlamydomonas reinhardtii were studied at the biochemical (metabolite), physiological (uptake kinetics and flow cytometry) and growth level. Changes at the physiological level were evident at the lowest exposure concentration while effects on the metabolome and on growth only occurred at the highest copper concentration tested. Flow cytometry revealed the presence of higher reactive oxygen species concentrations in algae exposed to higher copper concentrations and this was confirmed by a significant reduction in glutathione levels as part of the metabolomics assessment. Cu(2+) uptake kinetic data contributed information on possible mechanisms of copper toxicity, revealing that, a decrease in efflux pumping might be at the basis of an increased metal accumulation at higher exposure levels. This study demonstrates the value of using a comparative approach to investigating the mechanisms of toxicity rather than focusing on a single level of organization or effect.
Combining computational and experimental approaches to select chromophores to enable the detection of fatty acids via HPLC
Publisher: Royal Society of Chemistry (RSC)
Date: 2019
DOI: 10.1039/C9AY00616H
Abstract: This paper outlines a protocol, which combines quantum mechanics calculations and experimental synthesis, to enable systematic selection of suitable chromophores based on their stability of fluorescence and efficiency of the chemical reaction.
- Advances in Genetics and Genomics for Sustainable Peanut Production
Publisher: CRC Press
Date: 19-04-2016
DOI: 10.1201/B10977-20
Classification of fentanyl precursors by multivariate analysis of low-field nuclear magnetic resonance spectroscopy data
Publisher: Elsevier BV
Date: 12-2020
Reporting Guidelines to Increase the Reproducibility and Comparability of Research on Microplastics
Publisher: SAGE Publications
Date: 12-06-2020
Abstract: The ubiquitous pollution of the environment with microplastics, a erse suite of contaminants, is of growing concern for science and currently receives considerable public, political, and academic attention. The potential impact of microplastics in the environment has prompted a great deal of research in recent years. Many erse methods have been developed to answer different questions about microplastic pollution, from sources, transport, and fate in the environment, and about effects on humans and wildlife. These methods are often insufficiently described, making studies neither comparable nor reproducible. The proliferation of new microplastic investigations and cross-study syntheses to answer larger scale questions are h ered. This erse group of 23 researchers think these issues can begin to be overcome through the adoption of a set of reporting guidelines. This collaboration was created using an open science framework that we detail for future use. Here, we suggest harmonized reporting guidelines for microplastic studies in environmental and laboratory settings through all steps of a typical study, including best practices for reporting materials, quality assurance/quality control, data, field s ling, s le preparation, microplastic identification, microplastic categorization, microplastic quantification, and considerations for toxicology studies. We developed three easy to use documents, a detailed document, a checklist, and a mind map, that can be used to reference the reporting guidelines quickly. We intend that these reporting guidelines support the annotation, dissemination, interpretation, reviewing, and synthesis of microplastic research. Through open access licensing (CC BY 4.0), these documents aim to increase the validity, reproducibility, and comparability of studies in this field for the benefit of the global community.
Environmental metabolomics of soil organisms
Publisher: John Wiley & Sons, Ltd
Date: 06-03-2014
Novel molecular tracers for the assessment of groundwater pollution
Publisher: Elsevier BV
Date: 04-2022
Vitamin C measurement in critical illness: challenges, methodologies and quality improvements
Publisher: Walter de Gruyter GmbH
Date: 12-12-2020
Abstract: There is renewed interest in high-dose vitamin C interventions in clinical medicine due to its antioxidant properties, safe use and cost-effectiveness. Yet, randomised control trials (RCTs) employing these interventions are failing to include robust analytical methodology and proper s le handling and processing techniques. Consequently, comparisons between studies becomes impossible as there is no metrological traceability and results may be prone to pre-analytical errors. Through published vitamin C stability studies, method comparison papers and data from vitamin C external quality assurance programs, an assessment was made on the functionality of current methods for critically ill patient s les. Data was obtained from two external quality assurance programs, two papers assessing s le stability and interlaboratory agreement and a publication on vitamin C method comparisons. A shift from spectrophotometric and enzymatic methodologies to high performance liquid chromatography (HPLC) greatly improved the variability and interlaboratory agreement. Therefore, the current analytical performance of vitamin C HPLC methodologies are acceptable for the requirements of a high-dose vitamin C RCTs. Recommendations across the total testing process of vitamin C have been provided to improve the quality of the results. The harmonisation of s le handling and processing procedures will further improve the reliability of current analytical methodologies.
The synthesis and characterisation of MDMA derived from a catalytic oxidation of material isolated from black pepper reveals potential route specific impurities.
Publisher: Elsevier BV
Date: 05-2016
DOI: 10.1016/J.SCIJUS.2016.01.003
Abstract: This work examines the chemical synthesis of 3,4-methylenedioxy-N-methyl hetamine (MDMA) from piperonal prepared via a catalytic ruthenium tetroxide oxidation of piperine extracted from black pepper. A variety of oxidation conditions were experimented with including different solvent systems and co-oxidants. A s le of prepared piperonal was successfully converted into MDMA via 3,4-methylenedioxyphenyl-2-nitropropene (MDP2NP) and 3,4-methylenedioxyphenyl-2-propanone (MDP2P) and the impurities within each product characterised by GC-MS to give a contaminant profile of the synthetic pathway. Interestingly, it was discovered that a chlorinated analogue of piperonal (6-chloropiperonal) was created during the oxidation process by an as yet unknown mechanism. This impurity reacted alongside piperonal to give chlorinated analogues of each precursor, ultimately yielding 2-chloro-4,5-methylenedioxymeth hetamine (6-Cl-MDMA) as an impurity within the MDMA s le. The methodology developed is a simple way to synthesise a substantial amount of precursor material with easy to obtain reagents. The results also show that chlorinated MDMA analogues, previously thought to be deliberately included adulterants, may in fact be route specific impurities with potential application in determining the origin and synthesis method of seized illicit drugs.
Design and characterization of sustainable bio-composites from waste chicken feather keratin and thermoplastic polyurethane
Publisher: Wiley
Date: 05-03-2018
DOI: 10.1002/PC.24794
Investigating the chemical impurity profiles of fentanyl preparations and precursors to identify chemical attribution signatures for synthetic method attribution.
Publisher: Elsevier BV
Date: 04-2021
Metabolomic analysis of soil communities can be used for pollution assessment
Publisher: Wiley
Date: 22-11-2013
DOI: 10.1002/ETC.2418
Abstract: Metabolic profiling can be used to assess the changes in biochemical profiles of soil communities living in contaminated sites. The term "community metabolomics" is proposed for the application of metabolomics techniques to the study of the entire community of a soil s le. The authors anticipate the present study to be a starting point for the use of this technique to assess how communities respond to factors such as pollution and climate change.
Evaluation of new micro solid-phase extraction cartridges for on-column derivatisation reactions
Publisher: Royal Society of Chemistry (RSC)
Date: 2016
DOI: 10.1039/C5AY02618K
Abstract: A novel on-column derivatisation technique using micro solid-phase extraction (μ-SPE) cartridges has been evaluated and applied to the derivatisation of short-chain fatty acids in olive oil.
Chirality-2: Development of a Multilevel Mobile Gaming App To Support the Teaching of Introductory Undergraduate-Level Organic Chemistry
Publisher: American Chemical Society (ACS)
Date: 31-05-2018
A comparative metabolomic study of NHR‐49 in Caenorhabditis elegans and PPAR‐α in the mouse
Publisher: Wiley
Date: 22-04-2008
A New Method for the Fast Analysis of Trihalomethanes in Tap and Recycled Waters Using Headspace Gas Chromatography with Micro-Electron Capture Detection
Publisher: MDPI AG
Date: 15-05-2017
Decoupling wastewater impacts from hydrogeochemical trends in impacted groundwater resources
Publisher: Elsevier BV
Date: 06-2021
Using metabolomics to assess the sub-lethal effects of zinc and boscalid on an estuarine polychaete worm over time
Publisher: Springer Science and Business Media LLC
Date: 31-07-2019
DOI: 10.1007/S11306-019-1570-X
Abstract: Zinc is a heavy metal commonly detected in urban estuaries around Australia. Boscalid is a fungicide found in estuaries, both in water and sediment, it enters the system predominantly through agricultural run-off. Zinc is persistent while boscalid breaks down, with a half-life of 108 days. Both contaminants are widely distributed and their effects on ecosystems are not well understood. The aim of this study was to determine the metabolite changes in Simplisetia aequisetis (an estuarine polychaete) following laboratory exposure to a sub-lethal concentration of zinc or boscalid over a 2-week period. In iduals were collected at six time points over a 2-week period. Whole polychaete metabolites were extracted and quantified using a multi-platform approach. Polar metabolites were detected using a semi-targeted GC-MS analysis and amine containing compounds were analysed using a targeted LC-MS analysis. Total lipid energy content was also analysed for Simplisetia aequisetis. The pathways that responded to zinc and boscalid exposure were alanine, aspartate and glutamate metabolism (AAG) glycine, serine and threonine metabolism (GST) and metabolites associated with the tricarboxylic acid cycle (TCA). Results showed that changes in total abundance of some metabolites could be detected as early as 24-h exposure. Changes were detected in the metabolites before commonly used total lipid energy assays identified effects. A multi-platform approach provided a holistic overview of the metabolomic response to contaminants in polychaetes. This approach shows promise to be used in biomonitoring programs to provide early diagnostic indicators of contamination and exposure.
A candidate reference method using ICP-MS for sweat chloride quantification
Publisher: Walter de Gruyter GmbH
Date: 2015
Abstract: The aim of the study was to develop a method for sweat chloride (Cl) quantification using Inductively Coupled Plasma Mass Spectrometry (ICP-MS) to present to the Joint Committee for Traceability in Laboratory Medicine (JCTLM) as a candidate reference method for the diagnosis of cystic fibrosis (CF). Calibration standards were prepared from sodium chloride (NaCl) to cover the expected range of sweat Cl values. Germanium (Ge) and scandium (Sc) were selected as on-line (instrument based) internal standards (IS) and gallium (Ga) as the off-line (s le based) IS. The method was validated through linearity, accuracy and imprecision studies as well as enrolment into the Royal College of Pathologists of Australasia Quality Assurance Program (RCPAQAP) for sweat electrolyte testing. Two variations of the ICP-MS method were developed, an on-line and off-line IS, and compared. Linearity was determined up to 225 mmol/L with a limit of quantitation of 7.4 mmol/L. The off-line IS demonstrated increased accuracy through the RCPAQAP performance assessment (CV of 1.9%, bias of 1.5 mmol/L) in comparison to the on-line IS (CV of 8.0%, bias of 3.8 mmol/L). Paired t-tests confirmed no significant differences between s le means of the two IS methods (p=0.53) or from each method against the RCPAQAP target values (p=0.08 and p=0.29). Both on and off-line IS methods generated highly reproducible results and excellent linear comparison to the RCPAQAP target results. ICP-MS is a highly accurate method with a low limit of quantitation for sweat Cl analysis and should be recognised as a candidate reference method for the monitoring and diagnosis of CF. Laboratories that currently practice sweat Cl analysis using ICP-MS should include an off-line IS to help negate any pre-analytical errors.
Effect of nanostructuring of ZnO for gas sensing of nitrogen dioxide
Publisher: Elsevier BV
Date: 05-2017
Metabolomics and systems biology in human health and medicine
Publisher: CABI
Date: 2014
Exposure to Environmentally Relevant Levels of PFAS Causes Metabolic Changes in the Freshwater Amphipod Austrochiltonia subtenuis
Publisher: MDPI AG
Date: 18-11-2022
Abstract: Per and polyfluoroalkyl substances (PFAS) are of concern to environmental regulators due to their widespread occurrence, persistence and reported toxicity. However, little data exist on the effects of PFAS at environmentally relevant concentrations. The development of molecular markers for PFAS exposure would therefore be useful to better understand the environmental risks of these compounds. In this study, we assessed if such markers could be developed using Gas Chromatography–Mass Spectrometry-based metabolomics. We exposed the freshwater hipod Austrochiltonia subtenuis to a range of environmentally relevant concentrations of perfluoro-octane sulfonic acid (PFOS), hexafluoropropylene oxide dimer acid (GenX) and perfluorohexanesulphonic acid (PFHxS) for 7 days at five concentrations. A metabolic response was detected in all concentrations and treatments even though the survival rates only differed significantly at the highest exposure levels. The metabolic response differed between compounds but all three PFAS induced changes in the levels of amino acids, fatty acids, and cholesterol, in line with the literature. PFOS was found to bioaccumulate. Both GenX and PFHxS were eliminated from the hipods, but PFHxS was eliminated at a slower rate than GenX. This information improves our understanding of the sublethal effects of PFAS as well as their environmental fate and behaviour.
Combining environmental isotopes with Contaminants of Emerging Concern (CECs) to characterise wastewater derived impacts on groundwater quality
Publisher: Elsevier BV
Date: 09-2020
Size-dependent effects of low level cadmium and zinc exposure on the metabolome of the Asian clam, Corbicula fluminea
Publisher: Elsevier BV
Date: 10-2011
DOI: 10.1016/J.AQUATOX.2011.08.010
Abstract: The toxic effects of low level metal contamination in sediments are currently poorly understood. We exposed different sized Asian clams, Corbicula fluminea, to sediment spiked with environmentally relevant concentrations of either zinc, cadmium or a zinc-cadmium mixture for one week. This freshwater bivalve is well suited for sediment toxicity tests as it lives partly buried in the sediment and utilises sediment particles as a food resource. After one week, the whole tissue composition of low molecular weight metabolites was analysed by nuclear magnetic resonance spectroscopy (NMR) and gas chromatography-mass spectrometry (GC-MS). The condition index (ratio of tissue dry weight to volume inside the shell valves) was also measured. Small and large clams were clearly differentiated by their metabolic composition and the two size classes showed opposite responses to the mixture spiked sediment. No effects of zinc alone on the metabolome were found and cadmium only influenced the smaller size class. The main perturbations were seen in amino acid and energy metabolism, with small clams using amino acids as an energy resource and larger clams primarily drawing on their larger storage reserves of carbohydrates. Our study demonstrates that metabolomics is a useful technique to test for low level toxicity which does not manifest in mortality or condition index changes. The differing effects between the two size classes stress that it is important to consider age/size when conducting metabolomic and ecotoxicology assessments, since testing for the effects on only one size class makes it more difficult to extrapolate laboratory results to the natural environment.
Potential Ecological and Human Health Risks Associated With the Presence of Pharmaceutically Active Compounds in the Aquatic Environment
Publisher: Informa UK Limited
Date: 2004
DOI: 10.1080/10408440490464697
Abstract: Recently, considerable interest has developed regarding the presence of pharmaceuticals in the environment, but as yet the potential ecological effects associated with the presence of these compounds have been largely ignored. In this review, laboratory-based acute and chronic toxicity data, as well as studies concerned with the effects of pharmaceuticals on a variety of different organisms, are examined, along with the reported environmental concentrations of pharmaceuticals in aquatic systems. The possible sources and pathways of these compounds to the environment and the effects of a variety of medicines on a range of organisms are also highlighted, and recommendations are made for further research.
Comparisons of metabolic and physiological changes in rats following short term oral dosing with pesticides commonly found in food
Publisher: Elsevier BV
Date: 09-2013
DOI: 10.1016/J.FCT.2013.06.041
Abstract: ¹H Nuclear Magnetic Resonance spectroscopy has been used to profile urinary metabolites in male Fischer F344 rats in order to assess the metabolic changes induced by oral exposure to two benzimidazole fungicides (carbendazim and thiabendazole) and two bipyridyllium herbicides (chlormequat and mepiquat). Exposure levels were selected to be lower than those expected to cause overt signs of toxicity. We then compared the sensitivity of the metabolomics approach to more traditional methods of toxicity assessment such as the measurement of growth and organ weights. Separate, acute exposure experiments were conducted for each pesticide to identify potential metabolic markers of exposure across four doses (and a control). Growth, organ weights and feeding/drinking rates were not significantly affected by any compounds at any dose levels tested. In contrast, metabolic responses were detected within 8 and 24h for chlormequat and mepiquat, and after 24h for carbendazim and thiabendazole. These results demonstrate the potential for the use of metabolomics in food toxicity testing.
The occurrence and removal of selected pharmaceutical compounds in a sewage treatment works utilising activated sludge treatment
Publisher: Elsevier BV
Date: 02-2007
DOI: 10.1016/J.ENVPOL.2005.08.077
Abstract: Pharmaceutical substances have been detected in sewage effluents as well as receiving waters in many parts of the world. In this study, the occurrence and removal of a number of drug compounds were studied within a large sewage treatment plant in the south of England. S les were processed using solid phase extraction and analysed using gas chromatography-mass spectrometry (GC-MS). The results demonstrate that ibuprofen, paracetamol, salbutamol and mefenamic acid were present in both the influent and effluent of the works while propranolol-HCl was not found above the limit of quantification in any s le. Elimination rates were circa 90% for each compound but several hundred nanograms per litre were still present in the final effluent.
Standard reporting requirements for biological samples in metabolomics experiments: environmental context
Publisher: Springer Science and Business Media LLC
Date: 24-08-2007
Mixtures of similarly acting compounds in Daphnia magna: From gene to metabolite and beyond
Publisher: Elsevier BV
Date: 04-2010
DOI: 10.1016/J.ENVINT.2009.12.006
Abstract: Daphnia are an important and widely studied model species in ecological and toxicological studies throughout the world and an official (OECD) recommended test organism. Their small size, wide distribution and easy growth conditions make this organism ideal for functional genomics based studies, including metabolic profiling and transcriptomics. In this study we used an integrated systems approach in which transcriptomic, metabolomic and energetic responses of juvenile (4days old) daphnids were evaluated in response to exposure to two poly aromatic hydrocarbons (pyrene and fluoranthene) and binary mixtures thereof. In addition, these responses were linked to responses measured during chronic experiments (21days) assessing survival, growth and reproductive traits. Custom Daphnia magna microarrays were used to assess transcriptomic changes. Hierarchical cluster analysis did not result in a clear distinction between the single compounds suggesting similar molecular modes of action. Cluster analysis with both the single compounds and the binary mixture treatments resulted in a separation of treatments based on differences in toxic ratios rather than component differences. Changes in the metabolic profiles of the organisms were investigated using Nuclear Magnetic Resonance Spectroscopy and Gas and Liquid Chromatography Mass Spectrometry. These multivariate metabolomic datasets were analyzed with Principal Components Analysis and Partial Least Squares Discriminant Analysis. The major metabolite changes responsible for the differences observed indicated a disturbance in aminosugar metabolism in all cases. The study demonstrates the potential of 'omics' to provide screening tools for monitoring of the freshwater environment--in invertebrate species--which is reasonably rapid, cost-effective and has the potential to greatly increase the amount of information obtained from aquatic toxicology testing.
Nutrient stress as a means to enhance the storage stability of spray dried microencapsulated Lactobacillus plantarum B21
Publisher: Elsevier BV
Date: 08-2019
Characterising sources of groundwater contamination
Publisher: Australian Water Association
Date: 2020
Exploring the potential application of alternative nuclei in NMR based metabolomics
Publisher: Springer Science and Business Media LLC
Date: 15-04-2023
DOI: 10.1007/S11306-023-02003-Z
Abstract: Nuclear magnetic resonance (NMR) is widely used in metabolomics but it focusses on 1 H over other NMR-active nuclei. To evaluate the potential of alternative NMR-sensitive nuclei to generate useful metabolomic data. Proton, carbon, phosphorus, and nitrogen-based NMR metabolomics was undertaken on extracts from mint and European honey bee tissue. Carbon NMR provided useful information but required larger s le sizes. Phosphorus produced overlapping peaks in one dimensional (1D) analysis but showed potential in 2D experiments. 15 N NMR was found to not be sensitive enough for general metabolomic work. Alternative NMR active nuclei are useful for metabolomics.
Systems toxicology approaches for understanding the joint effects of environmental chemical mixtures
Publisher: Elsevier BV
Date: 08-2010
DOI: 10.1016/J.SCITOTENV.2010.02.038
Abstract: Environmental mixtures of chemicals constitute a prevalent issue in ecotoxicology and the development of new methods to reduce the uncertainties associated with their ecological risk assessment is a critical research need. Historically, a number of models have been explored to predict the potential combined effects of chemicals on species. These models, especially concentration addition and the independent action, have been applied to a number of mixtures. While often providing a good prediction of joint effect, there are cases where these models can have limitations: notably in cases where there are interactions for which they fail to adequately predict joint effects. To support the better mechanistic understanding of interactions in mixture toxicology a framework to support experimental studies to investigate the basis of observed interactions is proposed. The conceptual framework is derived from the extension of a three stage scheme which has previously been applied to understand chemical bioavailability. The framework considers that interactions in mixtures result from processes related to 1) the speciation, binding and transport of chemicals in the exposure medium (external exposure) 2) the adsorption, distribution, metabolism and excretion of chemicals within the organisms (toxicokinetics) 3) associations governing the binding and toxicity of the chemical(s) at the target site (toxicodynamics). The current state of the art in (eco)toxicology in relation to investigation of the mechanisms of interactions between chemicals is discussed with particular emphasis towards the multi-disciplinary tools and techniques within environmental chemistry toxicology biochemistry and systems biology that can be used to address such effects.
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