Physical Sciences and Mathematics Commons^™

Tracing Sources Of Natural Organic Matter, Trihalomethanes And Metals In Groundwater From A Karst Region, Connie O'Driscoll, Eoin Mcgillicuddy, Peter Croot, Pamela Bartley, John Mcmyler, Jerome Sheahan, Liam Morrison

Articles

Groundwater offers an important source for drinking water around the world; however, groundwater quality is under increasing pressure and is particularly vulnerable in karst areas. Total organic carbon (TOC) is significantly related to groundwater quality and when not removed by water treatment processes can give rise to the formation of disinfection by-products trihalomethanes (THMs) above the level of compliance. This study investigated the source of organic matter giving rise to the THM exceedances in a groundwater supply in a karst area. Results highlighted that source water for this groundwater supply was prone to surface water infiltration linked to rainfall events; …

Discriminant Analysis And Feature Selection In Mass Spectrometry Imaging Using Constrained Repeated Random Sampling - Cross Validation (Corrs-Cv), David Perezguaita, Julia Kuligowsky, Guillermo Quintas

Articles

No abstract provided.

A Geostatistical Study Of Socioeconomic Status (Ses), Rurality, Seasonality And Index Test Results As Drivers Of Free Private Groundwater Testing In Southern Ontario, 2012–2016, Shahryar Qayyum, Paul Hynds, Harriet Richardson, Kevin Mcdermott, Anna Majury

Articles

Approximately 12% of the Canadian population uses private wells for daily water consumption; however, well water testing rates are on the decline, resulting in an increased risk of waterborne acute gastrointestinal illness. To date, limited research has explored the determinants influencing well testing practices. Accordingly, the current study sought to investigate the drivers of “one-off” and repeat well water testing in southern Ontario during the 5-year period 2012–2016, using the worlds largest private groundwater testing data-frame. Data from >400,000 wells were geospatially integrated with all tests conducted by the provincial laboratory in southern Ontario. The Ontario Marginalization Index (ON-Marg) was …

Direct And Constructivist Instructional Design: A Comparison Of Efficiency Using Mental Workload And Task Performance, Giuliana Orru, Luca Longo

Conference papers

This paper investigates the efficiency of two instructional design conditions: a traditional design based on the direct instruction approach to learning and its extension with a collaborative activity based upon the community of inquiry approach to learning. This activity was built upon a set of textual trigger questions to elicit cognitive abilities and support knowledge formation. A total of 115 students participated in the experiments and a number of third-level computer science classes where divided in two groups. A control group of learners received the former instructional design while an experimental group also received the latter design. Subsequently, learners of …

Diclofenac Determination Using Ceo2 Nanoparticle Modified Screen-Printed Electrodes:A Study Of Background Correction, Rafaela C. De Carvalho, Tony Betts, John Cassidy

Articles

The detection of low levels of drugs including Non-Steroidal Anti-Inflammatory Drugs (NSAIDs) in natural waters and wastewaters is becoming increasingly important. Electrochemical methods offer an attractive means of detection, as they overcome many disadvantages associated with the currently available analytical methods. Cerium dioxide nanoparticles were synthesised and then incorporated onto the working electrodes of commercial graphite-based Screen Printed Carbon Electrodes (SPCE) then used to determine diclofenac levels. Following initial Cyclic Voltammetry studies, Square Wave Voltammetry (SWV) investigations were conducted over a range of conditions to optimise the peak potential separation and sensitivity of the method. The use of background correction …

Silicon Microcantilever Sensors To Detect The Reversible Conformational Change Of A Molecular Switch, Spiropyan, Catherine M. Grogan, George Amarandei, Shauna Lawless, Francis Pedreschi, Fiona Lyng, Fernando Benito-Lopez, Roberto Raiteri, Laisa Florea

Articles

The high sensitivity of silicon microcantilever sensors has expanded their use in areas ranging from gas sensing to bio-medical applications. Photochromic molecules also represent promising candidates for a large variety of sensing applications. In this work, the operating principles of these two sensing methods are combined in order to detect the reversible conformational change of a molecular switch, spiropyran. Thus, arrays of silicon microcantilever sensors were functionalized with spiropyran on the gold covered side and used as test microcantilevers. The microcantilever deflection response was observed, in five sequential cycles, as the transition from the spiropyran (SP) (CLOSED) to the merocyanine …

Polyvinyl Alcohol Cryogel Based Vessel Mimicking Material For Modelling The Progression Of Atherosclerosis, Andrew Malone, Sean Cournane, Izabela Naydenova, Andrew J. Fagan, Jacinta Browne

Articles

Purpose

The stiffness of Polyvinyl-alcohol cryogel can be adjusted through application of consecutive freeze-thaw cycles. This material has potential applications in the production of tissue mimicking phantoms in diagnostic ultrasound. The aim of this study was to use PVA-c to produce a range of geometrically and acoustically identical vessel phantoms modelling stages of atherosclerosis which could be verified through mechanical testing, thus allowing for more precision in quantitative in-vitro flow analysis of atherosclerosis.

Methods

A series of anatomically realistic walled renal artery flow phantoms were constructed using PVA-c. In order to ensure precise modelling of atherosclerosis, a modified procedure of …

Towards A Rapid Screening Of Liver Grafts At The Operating Room Using Mid-Infrared Spectroscopy, David Perezguaita, Marta Moreno Torres, Ramiro Jover, Eugenia Pareja, Bernard Lendl, Julia Kuligowsky, Guillermo Quintas

Articles

The estimation of steatosis in a liver graft is mandatory prior to liver transplantation, as the risk of graft failure increases with the level of infiltrated fat. However, the assessment of liver steatosis before transplantation is typically based on a qualitative or semiquantitative characterization by visual inspection and palpation and histological analysis. Thus, there is an unmet need for transplantation surgeons to have access to a diagnostic tool enabling an in situ fast classification of grafts prior to extraction. In this study, we have assessed an attenuated total reflection−Fourier transform infrared (ATR−FTIR) spectroscopic method compatible with the requirements of an …

A Vibrational Spectroscopic Based Approach For Diagnosing Babesia Bovis Infection, Anja Ruther, David Perezguaita, William Poole, Brian Cooke, Carlos Suarez, Philip Heraud, Bayden Wood

Articles

Babesia bovis parasites present a serious and significant health concern for the beef and dairy industries in many parts of the world. Difficulties associated with the current diagnostic techniques include they are prone to human error (microscopy) or expensive and time consuming (Polymerase Chain Reaction) to perform. Little is known about the biochemical changes in blood that are associated with Babesia infections. The discovery of new biomarkers will lead to improved diagnostic outcomes for the cattle industry. Vibrational spectroscopic technologies can record a chemical snapshot of the entire organism and the surrounding cell thereby providing a phenotype of the organism …

Empirical Study On The Effects Of Acquisition Parameters For Ftir Hyperspectral Imaging Of Brain Tissue, David Perezguaita, Julia Sacharz, Mustafa Kasniz, Shaiju Nazeer, Bayden Wood, Philip Heraud

Articles

Fourier transform infrared (FTIR) spectroscopic imaging is a powerful technique for molecular imaging of pathologies associated with the nervous systems including multiple sclerosis research. However, there is no standard methodology or standardized protocol for FTIR imaging of tissue sections that maximize the ability to discriminate between the molecular, white and granular layers, which is essential in the investigation of the mechanism of demyelination process. Tissue sections are heterogeneous, complex and delicate, hence the parameters to generate high quality images in minimal time becomes essential in the modern clinical laboratory. This article presents an FTIR spectroscopic imaging study of post-mortem human …

In-Situ Ellipsometric Study Of The Optical Properties Of Ltl-Doped Thin Film Sensors For Copper(Ii) Ion Detection, Dervil Cody, Tsvetanka Babeva, Violeta Madjarova, Anastasia Kharchenko, Sabad-E- Gul, Svetlana Mintova, Christopher J. Barrett, Izabela Naydenova

Articles

Optical sensors fabricated in zeolite nanoparticle composite films rely on changes in their optical properties (refractive index, n, and thickness, d) to produce a measurable response in the presence of a target analyte. Here, ellipsometry is used to characterize the changes in optical properties of Linde Type L (LTL) zeolite thin films in the presence of Cu2+ ions in solution, with a
/="/">view to improving the design of optical sensors that involve the change of n and/or d due to the adsorption of Cu2+ ions. The suitability of two different ellipsometry techniques (single wavelength and spectroscopic) for the evaluation …

Investigation Of The Chemical Composition Of Plasma-Treated Water By Midiplexc And Its Antimicrobial Effect On L. Monocytogenes And Pseudomonas Fluorescens Monospecies Suspension Cultures, Oliver Handorf, Harald Below, Uta Schnabel, Katharina Riedel

Articles

Plasma -generated compounds conceived by microwave -induced plasma (MidiPLexc) were physicochemically investigated in their molecular compositions. Therefore, plasma -treated water (PTW) was generated by treatment with the MidiPLexc within a 1 l glass bottle for a pre -treatment time of 100 s, 300 s and 900 s. The PTW was further investigated in its composition of reactive oxygen/nitrogen species. For this purpose, the hydrogen peroxide (H2O2) concentration of the PTW was determined electrochemically using chronoamperometry, and the anionic components were determined using ion chromatography. As a result, H2O2 concentrations of up to 720 mg l−1 , nitrite concentrations of 1600 …

Analysis Of A Large Spatiotemporal Groundwater Quality Dataset, Ontario 2010–2017: Informing Human Health Risk Assessment And Testing Guidance For Private Drinking Water Wells, Tessa Latchmore, Paul Hynds, R. Stephen Brown, Corinne Schuster-Wallace, Sarah Dickson-Anderson, Kevin Mcdermott, Anna Majury

Articles

Approximately 1.5 million individuals in Ontario are supplied by private water wells (private groundwater supplies). Unlike municipal supplies, private well water quality remains unregulated, with owners responsible for testing, treating, and maintaining their own water supplies. The primary goal of this study was to assess the effect of repeat sampling of private well water in Ontario and investigate the efficacy of geographically- and/or temporally specific testing recommendations and health risk assessments. The current study combines the Well Water Information System Dataset and the Well Water Testing Dataset from 2010 to 2017, inclusive. These two large existing province-wide datasets collated over …

Knowledge And Behavioural Interventions To Reduce Human Health Risk From Private Groundwater Systems: A Global Review And Pooled Analysis Based On Development Status, S. Mooney, C. P. Mcdowell, J. O'Dwyer, P. D. Hynds

Articles

Groundwater contamination constitutes a significant health risk for private well users residing in rural areas. As the responsibility to safeguard rural private domestic groundwater typically rests with non-expert homeowners, interventions promoting risk mitigation and awareness represent the most viable means of preventing supply contamination. However, no global review or pooled analyses of these interventions has been undertaken to date. The current study sought to identify and quantify the performance of private well interventions from 1990 to 2018 via a global systematised review and pooled analysis. The PICO (Population-Intervention-Comparison-Outcome) approach was employed for literature identification. Relevant studies were statistically analysed across …

Risk Communication Approaches For Preventing Private Groundwater Contamination In The Republic Of Ireland: A Mixed-Methods Study Of Multidisciplinary Expert Opinion, S. Mooney, J. O'Dwyer, Paul Hynds

Articles

The mechanisms of private-well groundwater contamination are uniquely complex, necessitating a multisector communicative approach to risk management, premised on behaviour promotion. In countries such as the Republic of Ireland (ROI), characterised by oftentimes high groundwater contamination risk and concurrently limited user awareness, incorporation of multidisciplinary, ‘expert-based’ knowledge may facilitate design of evidence-based, practical interventions. Expert interviews represent an efficient form of expert consultation, enabling ease of access to niche information and comparison of procedure, but remain under-utilised within the groundwater management literature. In response, the current study elicited opinion from 50 experts across four broad categories (communications, engineering/science, policy, and …

Nanomagnetic Resonance Imaging (Nano-Mri) Gives Personalized Medicine A New Perspective, Lorenzo Rosa, Jonathan Blackledge, Albert Boretti

Books/Book chapters

This chapter provides a brief overview of molecular imaging techniques and its present and future potential in personalized medicine, with special a focus on the magnetic resonance imaging (MRI) approach. It discusses the current techniques that allow for the in vivo visualization of molecular processes at the nanoscale resolution (nano-MRI). Nano-MRI is progressing rapidly thanks to the work of a very small but extremely brilliant community of experts. This paper is not intended to be a comprehensive review of nano-MRI written for these experts, but rather a concise description of the present achievements for a much broader audience of medical …

The Fabrication And Properties Of Magnetorheological Elastomers Employing Bio-Inspired Dopamine Modified Carbonyl Iron Particles, Yanfen Zhou, Lele Li, Wenyue Li, Shipeng Wen, Liang Jiang, Stephen Jerrams, Jianwei Ma, Shaojuan Chen

Articles

To obtain magnetorheological elastomers (MREs) with improved mechanical properties and exhibiting an enhanced magnetorheological (MR) effect, bio-inspired dopamine modification has been used to improve the functionality at the surface of carbonyl iron (CI) particles. Various techniques including x-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to confirm that a polydopamine (PDA) layer of about 27.5 nm had been successfully deposited on the surface of the carbonyl iron particles prior to their inclusion in the MRE composites. The magnetic properties of PDA modified CI particles were shown to be almost the same as those …

Enhanced Covalent Interface, Crosslinked Network And Gas Barrier Property Of Functionalized Graphene Oxide/Styrene-Butadiene Rubber Composites Triggered By Thiol-Ene Click Reaction, Long Zheng, Stephen Jerrams, Tian Su, Zongchao Xu, Liqun Zhang, Li Liu, Shipeng Wen

Articles

The high gas barrier property of a rubber composite is of great significance for reducing the exhaust gas emissions due to tire rolling resistance and hence the contribution this factor makes to environmental protection. Enhanced covalent interfaces and crosslinked networks are crucial to the gas barrier property of rubber composites. In this research, γ-mercaptopropyltriethoxysilane (MPS) modified GO (MGO)/styrene-butadiene rubber (SBR) composites were prepared by a synergetic strategy of latex compounding method and thiol-ene click reaction. It was found that the mercapto groups in MGO reacted with the vinyl groups in SBR molecules through thiol-ene click reaction during the crosslinking process …

Stacked Volume Holographic Gratings For Extending The Operational Wavelength Range In Led And Solar Applications, Sanjay Keshri, Julia Marín-Sáez, Izabela Naydenova, Kevin Murphy, Jesús Atencia, Daniel Chemisana, Sean Garner, María-Victoria Collados, Suzanne Martin

Articles

A novel stacking procedure is presented for volume phase holographic gratings (VPHGs) recorded in photopolymer material using Corning Willow Glass as a flexible substrate in order to achieve broader angular and spectral selectivity in a diffractive device with high efficiency for solar and LED applications. For the first time to our knowledge, we have shown a device designed for use with a white LED that has the same input and output angles and high efficiency when illuminated by different wavelengths. In this paper, two VPHGs were designed, experimentally recorded, and tested when illuminated at normal incidence. The experimental approach is …

Towards A Context-Aware Knowledge Model For Smart Service Systems, Thang Le Dinh, Thanh Thoa Pham Thi, Cuong Pham-Nguyen, Hoai Nam Le Nguyen

Conference papers

The advancement of the Internet of things, big data, and mobile computing leads to the need for smart services that enable the context awareness and the adaptability to their changing contexts. Today, designing a smart service system is a complex task due to the lack of an adequate model support in awareness and pervasive environment. In this paper, we present a context-aware knowledge model for smart service systems that organizes the domain and context-aware knowledge into knowledge components based on the three levels of services: Services, Service system and Network of service systems. The context-aware knowledge model for smart service …

Quantification Of Low-Content Encapsulated Active Cosmetic Ingredients In Complex Semi-Solid Formulations By Means Of Attenuated Total Reflectance-Infrared Spectroscopy, Franck Bonnier, Lynda Miloudi, Sandra Henry, Dominique Bertrand, Clovis Tauber, Xavier Perse, Florent Yvergnaux, Hugh Byrne, Igor Chourpa, Emilie Munnier

Articles

Attenuated total reflectance-infrared (ATR-IR) spectroscopy is a robust tool for molecular characterisation of matter. Applied to semi-solid formulations, it enables rapid and reliable data collection without pre-analytical requirements. Based on nano-encapsulated Omegalight®, a skin-lightening active cosmetic ingredient (ACI), incorporated in a hydrogel, it is first demonstrated that, despite the high water content and the chemical complexity of the samples (i.e. number of ingredients), the spectral features of the ACI can be detected and monitored. Secondly, with a total of 105 samples divided into a training set (n = 60) and an unknown set (n = 45) covering a …

Exploiting Fourier Transform Infrared And Raman Microspectroscopies On Cancer Stem Cells From Oral Squamous Cells Carcinoma: New Evidence Of Acquired Csplatin Chemoresistance, Valentina Notarstefano, Simona Sabbatini, Chiaro Pro, Alessia Belloni, Giulia Orilisi, Corrado Rubini, Hugh Byrne, Lisa Vaccari, Elisabetta Giorgini

Articles

Oral Squamous Cells Carcinoma (OSCC) is characterised by the risk of recurrence and the onset of a refractoriness response to chemotherapy drugs. These phenomena have been recently related to a subpopulation of Cancer Stem Cells (CSCs), which have either an innate or acquired drug resistance, triggered by chemotherapy treatments. In this light, to precisely target chemotherapy regimens, it is essential to improve knowledge on CSCs, with a particular focus on their molecular features. In this work, a subpopulation of CSCs, isolated by tumour sphere formation from primary OSCC cells, were treated with cisplatin for 16, 24 and 48 hours and …

K-Means And Hierarchical Cluster Analysis As Segmentation Algorithms Of Ftir Hyperspectral Images Collected From Cutaneous Tissue, Cassio Lima, Luciana Correa, Hugh Byrne, Denise Zezell

Conference papers

Fourier Transform Infrared (FTIR) spectroscopy is a rapid and label-free analytical technique whose potential as a diagnostic tool has been well demonstrated. The combination of spectroscopy and microscopy technologies enable wide-field scanning of a sample, providing a hyperspectral image with tens of thousands of spectra in a few minutes. In order to increase the information content of FTIR images, different clustering algorithms have been proposed as segmentation methods. However, systematic comparative tests of these techniques are still missing. Thus, the present paper aims to compare the ability of K-means Cluster Analysis (KMCA) and Hierarchical Cluster Analysis (HCA) as clustering algorithms …

Outstanding Reviewers For Analyst In 2019, Royal Society Of Chemistry

Articles

We would like to take this opportunity to thank all of Analyst's reviewers, and in particular highlight the Outstanding Reviewers for the journal in 2019, as selected by the editorial team for their significant contribution to Analyst. We announce our Outstanding Reviewers annually and each receives a certificate to give recognition for their contribution. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

A Mathematical Model For Visco-Ferromagnetic Materials, Giovambattista Amendola, Mauro Fabrizio, John Murrough Golden

Articles

Visco-ferromagnetic materials represented by non-local constitutive equation are considered in the paper. We use fractional derivatives in order to describe memory and spatial effects. Also, thermodynamic principles are formulated and studied.

Competencies For Educators In Delivering Digital Accessibility In Higher Education, John Gilligan

Conference Papers

The aim of this paper is to critically review the capabilities of the European Framework for the Digital Competence of Educators (DigCompEdu) and the UNESCO ICT Competency Framework for in delivering greater accessibility for students with disabilities in a Higher Education landscape undergoing Digital Transformation. These frameworks describe what it means for educators to be digitally competent. However are there other competencies required to deliver Digital Accessibility in education. The particular focus of this paper is the role of the teachers in delivering Digital Accessibility in higher education. What should be expected of them and what are the required competencies …

Studies On The Synthesis Of Unusual Amino Acids And Their Incorporation Into New Peptide Antibiotics, Agnieszka Wadolowska

Doctoral

As microorganisms continue to develop resistance and survive against many different forms of antimicrobial solutions, such as antibiotics, there is urgent need for new classes of antimicrobial peptides to mitigate the threat. Bacteria are a rich source of ribosomally-synthesized antimicrobial peptides known as bacteriocins, which are produced by one bacterial species to kill other bacterial strains. Lanthionine-containing lantibiotics and sactibiotics are post-translationally modified bacteriocins which display extremely potent antibacterial activity.

Thuricin CD, a two-peptide system belonging to the sactibiotic family, shows high activity, but most importantly excellent selectivity, against C. difficile infection. The Thuricin CD peptides contain a number of …

Named Entity Recognition Based On A Graph Structure, David Muñoz, Fernando Pérez Téllez, David Pinto

Articles

The identification of indirect relationships between texts from different sources makes the task of text mining useful when the goal is to obtain the most valuable information from a set of texts. That is why in the field of information retrieval the correct recognition of named entities plays an important role when extracting valuable information in large amounts of text. Therefore, it is important to propose techniques that improve the NER classifiers in order to achieve the correct recognition of named entities. In this work, a graph structure for storage and enrichment of named entities is proposed. It makes use …

Exploring Composite Dataset Biases For Heart Sound Classification, Davoud Shariat Panah, Andrew Hines, Susan Mckeever

Conference papers

In the last few years, the automatic classification of heart sounds has been widely studied as a screening method for heart disease. Some of these studies have achieved high accuracies in heart abnormality prediction. However, for such models to assist clinicians in the detection of heart abnormalities, it is of critical importance that they are generalisable, working on unseen real-world data. Despite the importance of generalisability, the presence of bias in the leading heart sound datasets used in these studies has remained unexplored. In this paper, we explore the presence of potential bias in heart sound datasets. Using a small …

Synthesising Tabular Datasets Using Wasserstein Conditional Gans With Gradient Penalty (Wcgan-Gp), Manhar Singh Walia, Brendan Tierney, Susan Mckeever

Conference papers

Deep learning based methods based on Generative Adversarial Networks (GANs) have seen remarkable success in data synthesis of images and text. This study investigates the use of GANs for the generation of tabular mixed dataset. We apply Wasserstein Conditional Generative Adversarial Network (WCGAN-GP) to the task of generating tabular synthetic data that is indistinguishable from the real data, without incurring information leakage. The performance of WCGAN-GP is compared against both the ground truth datasets and SMOTE using three labelled real-world datasets from different domains. Our results for WCGAN-GP show that the synthetic data preserves distributions and relationships of the real …