André J. Simpson
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View article: NMR as a Discovery Tool: Exploration of Industrial Effluents Discharged Into the Environment
NMR as a Discovery Tool: Exploration of Industrial Effluents Discharged Into the Environment Open
NMR provides unprecedented molecular information, urgently needed by environmental researchers and policy makers. However, NMR is underutilized in environmental sciences due to the lack of available technologies, limited environmental‐spec…
View article: Steady State Free Precession NMR without Fourier Transform: Redefining the Capabilities of <sup>19</sup>F NMR as a Discovery Tool
Steady State Free Precession NMR without Fourier Transform: Redefining the Capabilities of <sup>19</sup>F NMR as a Discovery Tool Open
The 2024 Zurich perfluorinated compounds (PFCs) summit reiterated the urgent need for non‐selective analytical approaches for PFC detection. 19 F NMR holds great potential, however, sensitivity limitations lead to long analysis times and/o…
View article: Steady State Free Precession NMR without Fourier Transform: Redefining the Capabilities of <sup>19</sup>F NMR as a Discovery Tool
Steady State Free Precession NMR without Fourier Transform: Redefining the Capabilities of <sup>19</sup>F NMR as a Discovery Tool Open
The 2024 Zurich perfluorinated compounds (PFCs) summit reiterated the urgent need for non‐selective analytical approaches for PFC detection. 19 F NMR holds great potential, however, sensitivity limitations lead to long analysis times and/o…
View article: Distribution of semi-volatile organic compounds, metals, and biological activities in two industrialized cities in Ontario, Canada using passive air sampling
Distribution of semi-volatile organic compounds, metals, and biological activities in two industrialized cities in Ontario, Canada using passive air sampling Open
Passive air sampling enabled targeted characterization of semi-volatile pollutants and endocrine disrupting activities impacting two industrialized cities in Ontario, Canada.
View article: Impact of Biochar Application on Soil Physical and Biogeochemical Characteristics: A Review
Impact of Biochar Application on Soil Physical and Biogeochemical Characteristics: A Review Open
The need to increase crop production to feed the growing population is pressing, especially with the reduction of agricultural land due to rapid urbanization and decadal use of land. Soil health and quality are deteriorating as a result of…
View article: Short‐Term Alteration of Soil Physicochemical Characteristics Induced by Biochar Application on a <i>Ferric Acrisol</i>
Short‐Term Alteration of Soil Physicochemical Characteristics Induced by Biochar Application on a <i>Ferric Acrisol</i> Open
Biochar (incinerated organic waste by‐product) has shown promise in enhancing soil fertility and agricultural productivity. Soil quality plays an essential role in the success of agricultural activities, with soil enhancement being crucial…
View article: Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by <sup>1</sup> H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy
Understanding the Interactions of Nanoparticles and Dissolved Organic Matter at the Molecular Level by <sup>1</sup> H 2D Multi‐Exponential Transverse Relaxation NMR Spectroscopy Open
The interaction between humic acid (HA) and engineered nanoparticles (NPs) is critical in environmental sciences, especially for understanding the behavior of NPs in natural waters. This study employs 1 H 2D Multi‐Exponential Transverse Re…
View article: Metabolic analysis in intact human-derived cerebral organoids by high-resolution magic-angle spinning NMR spectroscopy
Metabolic analysis in intact human-derived cerebral organoids by high-resolution magic-angle spinning NMR spectroscopy Open
Human-derived cerebral organoids (COs) are an emerging model system for the study of human neural development and physiology. Here, we describe the assessment of metabolism in human-derived CO’s using high-resolution magic-angle spinning (…
View article: Water suppression 101 for benchtop NMR–An accessible guide and primer including fully interactive training videos
Water suppression 101 for benchtop NMR–An accessible guide and primer including fully interactive training videos Open
Benchtop NMR is enjoying a renaissance with numerous manufacturers bringing products to the market over the last decade. The improved accessibility, lower cost of ownership and ease of use (vs high field NMR), is attracting new users into …
View article: A simple 1H (12C/13C) filtered experiment to quantify and trace isotope enrichment in complex environmental and biological samples
A simple 1H (12C/13C) filtered experiment to quantify and trace isotope enrichment in complex environmental and biological samples Open
Nuclear magnetic resonance (NMR) based 13C tracing has broad applications across medical and environmental research. As many biological and environmental samples are heterogeneous, they experience considerable spectral overlap and relative…
View article: Slice through the water—Exploring the fundamental challenge of water suppression for benchtop NMR systems
Slice through the water—Exploring the fundamental challenge of water suppression for benchtop NMR systems Open
Benchtop NMR provides improved accessibility in terms of cost, space, and technical expertise. In turn, this encourages new users into the field of NMR spectroscopy. Unfortunately, many interesting samples in education and research, from b…
View article: Brewing alcohol 101: An undergraduate experiment utilizing benchtop NMR for quantification and process monitoring
Brewing alcohol 101: An undergraduate experiment utilizing benchtop NMR for quantification and process monitoring Open
In recent years there has been a renewed interest in benchtop NMR. Given their lower cost of ownership, smaller footprint, and ease of use, they are especially suited as an educational tool. Here, a new experiment targeted at upper‐year un…
View article: Exploring the Potential of Broadband Complementary Metal Oxide Semiconductor Micro-Coil Nuclear Magnetic Resonance for Environmental Research
Exploring the Potential of Broadband Complementary Metal Oxide Semiconductor Micro-Coil Nuclear Magnetic Resonance for Environmental Research Open
With sensitivity being the Achilles’ heel of nuclear magnetic resonance (NMR), the superior mass sensitivity offered by micro-coils can be an excellent choice for tiny, mass limited samples such as eggs and small organisms. Recently, compl…
View article: Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations
Exploring Proton-Only NMR Experiments and Filters for Daphnia In Vivo: Potential and Limitations Open
Environmental metabolomics provides insight into how anthropogenic activities have an impact on the health of an organism at the molecular level. Within this field, in vivo NMR stands out as a powerful tool for monitoring real-time changes…
View article: Cross-Platform Comparison of Amino Acid Metabolic Profiling in Three Model Organisms Used in Environmental Metabolomics
Cross-Platform Comparison of Amino Acid Metabolic Profiling in Three Model Organisms Used in Environmental Metabolomics Open
Environmental metabolomics is a promising approach to study pollutant impacts to target organisms in both terrestrial and aquatic environments. To this end, both nuclear magnetic resonance (NMR)- and mass spectrometry (MS)-based methods ar…
View article: Maternal exposure to polystyrene nanoplastics impacts developmental milestones and brain structure in mouse offspring
Maternal exposure to polystyrene nanoplastics impacts developmental milestones and brain structure in mouse offspring Open
Maternal exposure to polystyrene nanoplastics impact postnatal brain development in mouse offspring. This work motivates further studies to determine the levels of nanoplastics in the environment.
View article: <i>In vivo</i> singlet state filtered nuclear magnetic resonance: towards monitoring toxic responses inside living organisms
<i>In vivo</i> singlet state filtered nuclear magnetic resonance: towards monitoring toxic responses inside living organisms Open
Using a singlet state filter, nuclear magnetic resonance (NMR) can selectively monitor metabolites, while suppressing undesired signals in living Daphnia magna , allowing metabolite tracking even in regions of significant spectral overlap.
View article: Steady-State Free Precession sequences for high and low field NMR spectroscopy in solution: Challenges and opportunities
Steady-State Free Precession sequences for high and low field NMR spectroscopy in solution: Challenges and opportunities Open
The receptivity of NMR spectroscopy is low when compared to other techniques. Historically, increasing the strength of the static magnetic field has been the major approach to increase NMR sensitivity. In recent years several polarization …
View article: Nontargeted screening reveals fluorotelomer ethoxylates in indoor dust and industrial wastewater
Nontargeted screening reveals fluorotelomer ethoxylates in indoor dust and industrial wastewater Open
Concerns regarding the persistence, bioaccumulation behaviour, and toxicity of perfluorooctanoic acid and perfluorooctane sulfonic acid have resulted in the creation of thousands of replacement perfluoroalkyl substances (PFAS). This study …
View article: Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR
Binding Between Antibiotics and Polystyrene Nanoparticles Examined by NMR Open
Elucidating the interactions between plastic nanoparticles and small molecules is important to understanding these interactions as they occur in polluted waterways. For example, plastic that breaks down into micro- and nanoscale particles …
View article: A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in <scp><i>Daphnia magna</i></scp> via imaging, spectroscopy, and metabolomics
A holistic NMR framework to understand environmental impact: Examining the impacts of superparamagnetic iron oxide nanoparticles (SPIONs) in <span><i>Daphnia magna</i></span> via imaging, spectroscopy, and metabolomics Open
Superparamagnetic iron oxide nanoparticles (SPIONs) are a contaminant of emerging interest, often used in the medical field as an imaging contrast agent, with additional uses in wastewater treatment and as food additives. Although the use …
View article: Coastal fisheries resource monitoring through A deep learning-based underwater video analysis
Coastal fisheries resource monitoring through A deep learning-based underwater video analysis Open
Unlike land, the oceans, although covering more than 70% of the planet, are largely unexplored. Global fisheries resources are central to the sustainability and quality of life on earth but are under threat from climate change, ocean acidi…
View article: Nontargeted Screening Using Gas Chromatography–Atmospheric Pressure Ionization Mass Spectrometry: Recent Trends and Emerging Potential
Nontargeted Screening Using Gas Chromatography–Atmospheric Pressure Ionization Mass Spectrometry: Recent Trends and Emerging Potential Open
Gas chromatography–high-resolution mass spectrometry (GC–HRMS) is a powerful nontargeted screening technique that promises to accelerate the identification of environmental pollutants. Currently, most GC–HRMS instruments are equipped with …
View article: Metabolomics Reveals That Bisphenol Pollutants Impair Protein Synthesis-Related Pathways in Daphnia magna
Metabolomics Reveals That Bisphenol Pollutants Impair Protein Synthesis-Related Pathways in Daphnia magna Open
Bisphenols are used in the production of polycarbonate plastics and epoxy resins. Bisphenol A (BPA) has been widely studied and is believed to act as an endocrine disruptor. Bisphenol F (BPF) and bisphenol S (BPS) have increasingly been em…
View article: NMR spectroscopy of a single mammalian embryo
NMR spectroscopy of a single mammalian embryo Open
The resolving power, chemical sensitivity and non-invasive nature of NMR has made it an established technique for in vivo studies of large organisms both for research and clinical applications. These features would clearly be beneficial at…
View article: Production of methane and gaseous compounds by surface microbial activity in a small pockmark field, Dunmanus Bay, Ireland
Production of methane and gaseous compounds by surface microbial activity in a small pockmark field, Dunmanus Bay, Ireland Open
Marine pockmarks are globally widespread seabed depressions, conventionally thought to be formed by the accumulation and expulsion of microbial and thermogenic gas. However, other putative fluids and processes have been implicated in pockm…