Physical Sciences and Mathematics Commons^™

Existence Of A Minimizer For The Quasi-Relativistic Kohn-Sham Model, Carlos Argáez García, Michael Melgaard

Articles

We study the standard and extended Kohn-Sham models for quasi-relativistic N-electron Coulomb systems; that is, systems where the kinetic energy of the electrons is given by the quasi-relativistic operator (see article) . For spin-unpolarized systems in the local density approximation, we prove existence of a ground state (or minimizer) provided that the total charge Z of K nuclei is greater than N-1 and that Z is smaller than a critical charge (see article).

Identifying And Localizing Intracellular Nanoparticles Using Raman Spectroscopy, Jennifer Dorney, Franck Bonnier, Amaya Garcia, Alan Casey, Gordon Chambers, Hugh Byrne

Articles

Raman microscopy is employed to spectroscopically image biological cells previously exposed to fluorescently labelled polystyrene nanoparticles and, in combination with K-means clustering and Principal Component Analysis (PCA), is demonstrated to be capable of localising the nanoparticles and identifying the subcellular environment based on the molecular spectroscopic signatures. The neutral nanoparticles of 50 nm or 100 nm, as characterised by dynamic light scattering, are shown to be non-toxic to a human lung adenocarcinoma cell-line (A549), according to a range of cytotoxicity assays including Neutral Red, Alamar Blue, Coomassie Blue and (3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT). Confocal fluorescence microscopy identifies intracellular fluorescence due to …

Quantitative Reagent-Free Detection Of Fibrinogen Levels In Human Blood Plasma Using Raman Spectroscopy, Kelvin Poon, Fiona Lyng, Peter Knief, Orla L. Howe, Aidan Meade, James Curtin, Hugh Byrne, Joseph Vaughan

Articles

Fibrinogen assays are commonly used as part of clinical screening tests to investigate haemorrhagic states, for detection of disseminated intravascular coagulation and as a predictor of a variety of cardiovascular events. The Clauss assay, which measures thrombin clotting time, is the most commonly used method for measuring fibrinogen levels. Nevertheless, inconsistencies are present in inter-manufacturer reagent sources, calibration standards and methodologies. Automated coagulation analysers, which measure changes in optical density during the prothrombin time (PT-Fg), have found use in many hospitals. However, the PT-Fg method is found to give falsely elevated values due to varying choices of calibrants, reagents and …

Photonic Crystal Fiber Interferometer For Dew Detection, Jinesh Mathew, Yuliya Semenova, Gerald Farrell

Articles

A novel method for dew detection based on photonic crystal fiber (PCF) interferometer that operates in reflection mode is presented in this paper. The fabrication of the sensor head is simple since it only involves cleaving and fusion splicing. The sensor shows good sensitivity to dew formation with a large wavelength peak shift of the interference pattern at the onset of dew formation. The device’s response to ambient humidity and temperature are also studied and reported in this paper. From our experiment it is also concluded that by attaching a thermoelectric cooler with temperature feedback, the sensor head demonstrated can …

Comparison Of Micro- And Nanoscale Fe+3-Containing (Hematite) Particles For Their Toxicological Properties In Human Lung Cells In Vitro, Kunal Bhattacharya, Eik Hoffmann, Roel Schins, Jens Boertz, Eva-Maria Prantl, Gerrit Alink, Hugh Byrne, Thomas Kuhlbusch, Qamar Rahman, Hartmut Wiggers, Christof Schulz, Elke Dopp

Articles

The specific properties of nanoscale particles, large surface-to-mass ratio and highly reactive surfaces, have increased their commercial application in many fields. However, the same properties are also important for the interaction and bio-accumulation of the non-/biodegradable nanoscale particles in a biological system and are a cause for concern. Hematite (α-Fe2O3), being a mineral form of Fe(III) oxide, is one of the most used iron oxides besides magnetite. The aim of our study was the characterization and comparison of biophysical reactivity and toxicological effects of α-Fe2O3 nano- (d < 100 nm) and microscale (d < 5 μm) particles in human lung cells. Our study demonstrates that the surface reactivity of nanoscale α-Fe2O3 differs to that of microscale particles with respect to the state of agglomeration, radical formation potential, and cellular toxicity. The presence of proteins in culture medium and agglomeration were found to affect the catalytic properties of the hematite nano- and microscale particles. Both the nano- and microscale α-Fe2O3 particles were actively taken up by human lung cells in vitro, although, they were not found in the nuclei and mitochondria. …

Nonlinear Optical Properties Of Carbon Nanotube Hybrids In Polymer Dispersions, Jun Wang, Kang-Shyang Liao, Daniel Früchtl, Ying Tian, Aisling Gilchrist , T, Nigel Alley, Enrico Andreoli, Brad Aitchison, Albert Nasibulin, Hugh Byrne, Esko I. Kauppinen, Long Zhang, Werner Blau, Seamus Curran

Articles

A series of double-walled carbon nanotubes (DWNTs) and multi-walled nanotubes (MWNTs) functionalized with selected organic chromophores, fluorescein 5(6)-isothiocyanate (FITC), rhodamine B isothiocyanate (RITC) and fullerene (C₆₀) were synthesized by covalently linking these electron-donor groups to the metallic nanotubes. These versatile carbon nanotube composites show remarkable nonlinear optical (NLO) performance, due to a merged effect of the complementary NLO characteristics of the moieties of the composites. The hybrids were characterized by UV-Vis spectroscopy and Raman spectroscopy. Evidence suggests charge transfer species are formed between the chromophores and the nanotubes. The optical limiting performance of the DWNT, MWNT hybrids and …

The Generalised Zakharov-Shabat System And The Gauge Group Action, Georgi Grahovski

Articles

The generalized Zakharov-Shabat systems with complex-valued non-regular Cartan elements and the systems studied by Caudrey, Beals and Coifman (CBC systems) and their gauge equivalent are studied. This study includes: the properties of fundamental analytical solutions (FAS) for the gauge-equivalent to CBC systems and the minimal set of scattering data; the description of the class of nonlinear evolutionary equations, solvable by the inverse scattering method, and the recursion operator, related to such systems; the hierarchies of Hamiltonian structures. The results are illustrated on the example of the multi-component nonlinear Schrodinger (MNLS) equations and the corresponding gauge-equivalent multi-component Heisenberg ferromagnetic (MHF) type …

Analysis Of Human Skin Tissue By Raman Microspectroscopy: Dealing With The Background, Franck Bonnier, Syed Mehmood Ali, Peter Knief, Helen Lambkin, Kathleen Flynn, Vincent Mcdonagh, Claragh Healy, Thomas Lee, Fiona Lyng, Hugh Byrne

Articles

Raman microspectroscopy is widely used for molecular characterisation of tissue samples. Nevertheless, when working in vitro on tissue sections, the presence of a broad background to the spectra remains problematic and its removal requires advanced methods for pre-processing of the data. To date, research efforts have been primarily devoted to development of techniques of statistical analysis to extract the relevant information contained in the spectra. However, few attempts have been made to understand the origin of the background and to improve the protocols used for the collection of Raman spectra that could lead to the reduction or elimination of the …

Characterization And Electrochromic Properties Of Poly(2,3,5,6-Tetrafluoroaniline): Progress Towards A Transparent Conducting Polymer, Lavinia Astratine, Edmond Magner, John Cassidy, Tony Betts

Articles

Electrochromic films of poly(2,3,5,6-tetrafluoroaniline) (PTFA) were formed on ITO substrates from aqueous solutions utilising perchloric acid (HClO₄) as dopant. Electrochemical and spectroscopic characterization of PTFA films was performed in background electrolyte and in solutions with the addition of tetrahydrofuran. When the PTFA film was removed from its growth medium, a significant decrease in the faradaic current was observed. The faradaic response increased on addition of tetrahydrofuran which facilitates ion movement through the polymer matrix. PTFA films deposited on ITO substrate were orange and light orange in the oxidized and reduced forms, respectively. The films were ca. 25 nm …

Impaired Cleanance And Enhanced Pulmonary Inflammatory/Fibrotic Response To Carbon Nanotubes In Myeloperoxidase-Deficient Mice, Anna A. Shvedova, Alexandr A. Kapralov, Wei Hong Feng, Elena R. Kisin, Ashley R. Murray, Robert R. Mercer, Claudette M. St. Croix, Megan A. Lang, Simon C. Watkins, Nagarjun V. Konduru, Brett L. Allen, Jennifer Conroy, Gregg P. Kotchey, Bashir M. Mohamed, Aidan Meade, Yuri Volkov, Alexander Star, Bengt Fadeel, Valerian E. Kagan

Articles

Advancement of biomedical applications of carbonaceous nanomaterials is hampered by their biopersistence and pro-inflammatory action in vivo. Here, we used myeloperoxidase knockout B6.129X1-MPO (MPO k/o) mice and showed that oxidation and clearance of single walled carbon nanotubes (SWCNT) from the lungs of these animals after pharyngeal aspiration was markedly less effective whereas the inflammatory response was more robust than in wild-type C57Bl/6 mice. Our results provide direct evidence for the participation of MPO – one of the key-orchestrators of inflammatory response – in the in vivo pulmonary oxidative biodegradation of SWCNT and suggest new ways to control the biopersistence …

On Maximal Relatively Divisible Submodules, Brendan Goldsmith, Paolo Zanardo

Articles

In recent work Goebel and Goldsmith investigated the spectrum of maximal pure subgroups of certain Abelian groups. Here the situation relating to maximal pure submodules of a torsion-free module over an integral domain R is investigated. Connections to the level of coherency are established along with a detailed investigation of the situation where all maximal pure submodules are isomorphic to a product of copies of the ring R.

The Generalised Zakharov-Shabat System And The Gauge Group Action, Georgi Grahovski

Articles

The generalized Zakharov–Shabat systems with complex-valued non-regular Cartan elements and the systems studied by Caudrey, Beals and Coifman (CBC systems) and their gauge equivalent are studied. This study includes: the properties of fundamental analytical solutions (FAS) for the gauge-equivalent to CBC systems and the minimal set of scattering data; the description of the class of nonlinear evolutionary equations, solvable by the inverse scattering method, and the recursion operator, related to such systems; the hierarchies of Hamiltonian structures. The results are illustrated on the example of the multi-component nonlinear Schr¨odinger (MNLS) equations and the corresponding gauge-equivalent multi-component Heisenberg ferromagnetic (MHF) type …

Characterisation Of The Acoustic Output Of Three Sonoporation Drug Delivery Ultrasound Systems Using An Acoustic Radiation Force Balance, Tapihwa Mabvaro, Jacinta Browne

Articles

No abstract provided.

Effect On Diagnostic Image Quality Of 3d Warping Registration Algorithms For Mr Angiography In The Lower Legs, Andrew Fagan, Daniel Foley, Jacinta Browne, Barry Sheane, Dearbhail O'Driscoll, Niall Sheehy, James Meaney

Articles

No abstract provided.

Functionalized Ruthenatricarbadecaborane Via Selective Cage Iodination And Sonogashira Coupling Reactions, Ariane Perez-Gavilan, Larry Sneddon, Patrick J. Carroll

Articles

Selective iodination of the cyclopentadienylruthenium tricarbadecaboranyl complexes 1-(η5-C5H5)–2-Ph–closo-1,2,3,4-RuC3B7H9 (1) and 1-(η5-C5(CH3)5)–2-Ph–closo-1,2,3,4-RuC3B7H8 (2) to form their mono-iodo derivatives, 1-(η5-C5H5)–2-Ph–6-I–closo-1,2,3,4-RuC3B7H9 (3) and 1-(η5-C5(CH3)5)–2-Ph–6-I–closo-1,2,3,4-RuC3B7H8(4), was achieved in 90% yields by their reactions with ICl in CH2Cl2 solutions. Also isolated in trace amounts from the reaction with 2 was the di-iodo 1-(η5-C5(CH3)5)–2-Ph–6,11-I2–closo-1,2,3,4-RuC3B7H7, (5) complex. The sonication-promoted Sonogashira coupling reaction of 3 with terminal acetylenes catalyzed by Pd(dppf)Cl2/CuI yielded the functionalized ruthenatricarbadecaboranyl complexes 1-(η5-C5H5)–2-Ph–6-(Ph-C≡C)–closo-1,2,3,4-RuC3B7H8 (6), 1-(η5-C5H5)–2-Ph–6-[CH3CH2C(O)OCH2-C≡C]–closo-1,2,3,4-RuC3B7H8 (7), …

Technology Platform For Sampling Water With Electrolyte-Gated Organic Transistors Sensitised With Langmuiur-Deposited Calixarene Surface Layers., Delia Puzzovio, Abdullah Al Naim, Lee Hague, Mary Deasy, James P. Ward, Tim Richardson, Martin Grell

Articles

We demonstrate a technology platform that enables the development of new, surface-sensitised organic transistor sensors. We show that an organic semiconductor can still be gated by an electric double layer within the electrochemical window of water after the deposition of up to four Langmuir- Schäfer calixarene layers onto its surface. Since many calixarenes are known to selectively bind waterborne cations, this facilitates sensitising a conventional organic semiconductor with a physically deposited layer for specific cation recognition. When at least two Langmuir-Schäfer layers are deposited, these also block the electrochemical doping of the organic semiconductor, which otherwise competes with the field …

On Projection-Invariant Subgroups Of Abelian P-Groups, Brendan Goldsmith

Articles

A subgroup P of an Abelian p-group G is said to be projection-invariant in G if Pf is contained in P for all idempotent endomorphisms f. Clearly fully invariant subgroups are projection invariant, but the converse is not true in general. Hausen and Megibben have shown that in many familiar situations these two concepts coincide. In a different direction, the authors have previously introduced the notions of socle-regular and strongly socle-regular groups by focussing on the socles of fully invariant and characteristic subgroups of p-groups. In the present work the authors examine the socles of projection-invariant subgroups of Abelian p-groups.

Integrable Models For Shallow Water With Energy Dependent Spectral Problems, Rossen Ivanov, Tony Lyons

Articles

We study the inverse problem for the so-called operators with energy depending potentials. In particular, we study spectral operators with quadratic dependence on the spectral parameter. The corresponding hierarchy of integrable equations includes the Kaup–Boussinesq equation. We formulate the inverse problem as a Riemann–Hilbert problem with a Z₂ reduction group. The soliton solutions are explicitly obtained.

Second Gradient Viscoelastic Fluids: Dissipation Principle And Free Energies, G. Amendola, M. Fabrizio, John Murrough Golden

Articles

We consider a generalization of the constitutive equation for an incompressible second order fluid, by including thermal and viscoelastic effects in the expression for the stress tensor. The presence of the histories of the strain rate tensor and its gradient yields a non-simple material, for which the laws of thermodynamics assume a modified form. These laws are expressed in terms of the internal mechanical power which is evaluated, using the dynamical equation for the fluid. Generalized thermodynamic constraints on the constitutive equation are presented. The required properties of free energy functionals are discussed. In particular, it is shown that they …

Abstract Criteria For Multiple Solutions To Nonlinear Coupled Equations Involving Magnetic Schrodinger Operators, Mattias Enstedt, Michael Melgaard

Articles

We consider a system of nonlinear coupled equations involving magnetic Schrodinger

operators and general potentials. We provide a criteria for the existence of multiple

solutions to these equations. As special cases we get the classical results on

existence of innitely many distinct solutions within Hartree and Hartree-Fock

theory of atoms and molecules subject to an external magnetic fields. We also

extend recent results within this theory, including Coulomb system with a constant

magnetic field, a decreasing magnetic field and a "physically measurable" magnetic field.

On Super And Hereditarily Hopfian And Co-Hopfian Abelian Groups, Brendan Goldsmith, Katao Kong

Articles

The notions of Hopfian and co-Hopfian groups have been of interest for some time. In this present work we characterize the more restricted classes of hereditarily Hopfian (co-Hopfian) and super Hopfian (co-Hopfian) groups in the case where the groups are Abelian.

The Effects Of Fatty Desposits On The Accuracy Of The Fibroscan Liver Transient Elastography Ultrasound System, S. Cournane, Jacinta Browne, Andrew Fagan

Articles

A new generation of ultrasound transient elastography (TE) systems have emerged which exploit the well-known correlation between the liver’s pathological and mechanical properties through measurements of the Young’s elastic modulus; however, little work has been carried out to examine the effect that fatty deposits may have on the TE measurement accuracy. An investigation was carried out on the effects on the measurement accuracy of a transient elastography ultrasound system, the Fibroscan®, caused by overlaying fat layers of varying thickness on healthy liver-mimicking phantoms, simulating in vivo conditions for obese patients. Furthermore, a steatosis effect similar to that in non-alcoholic fatty …

Effect Of Motion On The Adc Quantification Accuracy Of Whole-Body Dwibs, A. Stone, Jacinta Browne, Brian Lennon, James Meaney, Andrew Fagan

Articles

y

Diffusion-weighted whole-body imaging with background body signal subtraction was introduced as a qualitative approach to detecting metastases in the body. A liver-mimicking phantom with embedded tumours that could be moved to replicate respiratory motion was developed to assess its ability to accurately quantify ADC values.

RESULTS:

Mean tumour ADC values were unaltered by the motion; however, a significant (p < 0.05) increase in the spread of ADC values was measured, even for relatively large tumours.

CONCLUSIONS:

These findings may be of significance in cancer therapy monitoring where subtle changes in ADC histograms may reveal changes in tumour heterogeneity.

New Non-Toxic Holographic Photopolymer Material, Dervil Cody, Izabela Naydenova, Emilia Mihaylova

Articles

There is an increasing need for environmentally friendly holographic recording materials which can be produced in bulk with little risk to the health of workers in manufacturing. This is why the development of non-toxic photopolymer materials is crucial, and has attracted attention in recent years. Composition and preliminary characterization of a new non-toxic photopolymer material are presented. It operates well at a range of spatial frequencies, and achieves diffraction efficiencies and refractive index modulation comparable to the known acrylamide-based photopolymers.

The Driving Forces Of Change In Energy-Related Co2 Emissions In Ireland: A Multi-Sectoral Decomposition From 1990 To 2007, Tadhg O'Mahony, Peng Zhou, John Sweeney

Articles

Ireland recorded significant growth in energy-related carbon emissions from 1990 to 2007 as the country underwent rapid economic development. Using the LMDI decomposition analysis method, this paper aims to identify and analyse the driving forces of CO2 emissions in eleven final energy consuming sectors. This multi-sectoral analysis is based on four economic sectors, the residential sector and gives a detailed representation of transport in keeping with UNFCCC recommendations. Scale, structure and intensity effects are explored and substantial heterogeneity in sectoral performance is observed. Scale growth in economic and transport activity was considerable. Some improvements in energy intensity were recorded in …

Structure-Reactivity Studies Of Simple 4-Hydroxyprolinamide Organocatalysts In The Asymmetric Michael Addition Reaction Of Aldehydes To Nitroolefins, Fintan Kelleher, John Watts, Lien Luu, Vickie Mckee, Ed Carey

Articles

A series of simple 4-hydroxyprolinamides was synthesised and they were found to act as organocatalysts for the asymmetric conjugate addition of aldehydes to nitroolefins in excellent yields (98%), with complete diastereoselectivity (99:1, syn:anti) and enantioselectivity (98% e.e. for syn). Furthermore, the use of low catalyst loadings (5 mol%) and a low aldehyde molar excess (1.5 equivalents) were achieved.

Evaluating The Benefits Of Octree-Based Indexing For Lidar Data, Abu Saleh Mohammad Mosa, Bianca Schoen-Phelan, Michela Bertolotto, Debra Laefer

Articles

Very large true three-dimensional (3D) point datasets, as opposed to the previously common 2.5D data sets, are progressively more common nowadays, such as from Light Detection and Ranging (LiDAR). Increasingly, attempts are made to exploit these 3D point data sets beyond mere visualization. However, current Spatial Information Systems provide only limited 3D support. Even commercial systems advertising in-built, 3D data types provide only minimal functionality. Particularly, there is no effective means of indexing large 3D point datasets, which is crucial for efficient analysis and engineering usage. Also many datasets are information rich (e.g. contain color or some other associated semantic …

Profiling Instances In Noise Reduction, Sarah Jane Delany, Nicola Segata, Brian Macnamee

Articles

The dependency on the quality of the training data has led to significant work in noise reduction for instance-based learning algorithms. This paper presents an empirical evaluation of current noise reduction techniques, not just from the perspective of their comparative performance, but from the perspective of investigating the types of instances that they focus on for re- moval. A novel instance profiling technique known as RDCL profiling allows the structure of a training set to be analysed at the instance level cate- gorising each instance based on modelling their local competence properties. This profiling approach o↵ers the opportunity of investigating …

Sms Spam Filtering: Methods And Data, Sarah Jane Delany, Mark Buckley, Derek Greene

Articles

Mobile or SMS spam is a real and growing problem primarily due to the availability of very cheap bulk pre-pay SMS packages and the fact that SMS engenders higher response rates as it is a trusted and personal service. SMS spam filtering is a relatively new task which inherits many issues and solu- tions from email spam filtering. However it poses its own specific challenges. This paper motivates work on filtering SMS spam and reviews recent devel- opments in SMS spam filtering. The paper also discusses the issues with data collection and availability for furthering research in this area, analyses …

Personality Modulates The Effects Of Emotional Arousal And Valence On Brain Activation, Elizabeth G. Kehoe, John M. Toomey, Joshua H. Balsters, Arun L.W. Bokde

Articles

The influence of personality on the neural correlates of emotional processing is still not well characterized. We investigated the relationship between extraversion and neuroticism and emotional perception using functional magnetic resonance imaging (fMRI) in a group of 23 young, healthy women. Using a parametric modulation approach, we examined how the blood oxygenation level dependent (BOLD) signal varied with the participants’ ratings of arousal and valence, and whether levels of extraversion and neuroticism were related to these modulations. In particular, we wished to test Eysenck's biological theory of personality, which links high extraversion to lower levels of reticulothalamic–cortical arousal, and neuroticism …