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Water-Mediated Peptide Bond Formation In The Gas Phase: A Model Prebiotic Reaction, George C. Shields, Ariel Gale, Tuguldur T. Odbadrakh, Tyler Ball

Chemistry Publications

The emergence of life on the prebiotic Earth must have involved the formation of polypeptides, yet the polymerization of amino acids is thermodynamically unfavorable under biologically relevant aqueous conditions because amino acids are zwitterions in solution and because of the production of a water molecule through a condensation reaction. Many mechanisms for overcoming this thermodynamic unfavorability have been proposed, but the role of gas phase water clusters has not been investigated. We present the thermodynamics of the water-mediated gas phase dimerization reaction of glycine as a model for the atmospheric polymerization of amino acids prior to the emergence of biological …

Particle Formation And Surface Processes On Atmospheric Aerosols: A Review Of Applied Quantum Chemical Calculations, George C. Shields, Ariel Gale, Tyler Ball, Tuguldur T. Odbadrakh, Angelini Leonardi, Heather M. Ricker, Juan G. Navea

Chemistry Publications

Aerosols significantly influence atmospheric processes such as cloud nucleation, het- erogeneous chemistry, and heavy-metal transport in the troposphere. The chemical and physical complexity of atmospheric aerosols results in large uncertainties in their climate and health effects. In this article, we review recent advances in scientific understanding of aerosol processes achieved by the application of quantum chemical calculations. In particular, we emphasize recent work in two areas: new particle for- mation and heterogeneous processes. Details in quantum chemical methods are pro- vided, elaborating on computational models for prenucleation, secondary organic aerosol formation, and aerosol interface phenomena. Modeling of relative humidity effects, …

Cognitive Performance In Midlife Type 2 Diabetes: Results Form The Enbind Study, A. H. Dyer, L. Mckenna, G. Gamage, N. M. Bourke, Isabelle Killane, M. Widdowson, C. P. Woods, J. Gibney, R. Reilly, D. O'Neill, S. P. Kennelly

Articles

Aims: To establish the impact of uncomplicated type 2 diabetes on cognitive and neuropsychological performance in midlife. Methods: We performed a cross-sectional study of middle-aged adults with uncomplicated type 2 diabetes and a cohort of healthy control participants. General cognition was assessed using the Montreal Cognitive Assessment test and neuropsychological assessment was undertaken using a detailed neuropsychological assessment battery. Results: A total of 152 participants (102 with type 2 diabetes and 50 controls) were recruited (mean age 52 ± 8 years, 51% women). Participants with midlife type 2 diabetes were more than twice as likely to make an error on …

Reformulating The Binary Masking Approach Of Adress As Soft Masking, Ruairí De Fréin

Articles

Binary masking forms the basis for a number of source separation approaches that havebeen successfully applied to the problem of de-mixing music sources from a stereo recording.A well-known problem with binary masking is that, when music sources overlap in the time-frequencydomain, only one of the overlapping sources can be assigned the energy in a particulartime-frequency bin. To overcome this problem, we reformulate the classical pan-pot source separationproblem for music sources as a non-negative quadratic program. This reformulation gives rise toan algorithm, called Redress, which extends the popular Adress algorithm. It works by definingan azimuth trajectory for each source based on …

Impact Assessment Of High-Power Domestic Ev Charging Proliferation Of A Distribution Network, Arsalan Zaidi, Keith Sunderland, Michael Conlon

Articles

Transport electrification is becoming the mainstream as a means to improve efficiency, performance, andsustainability of transportation systems. Electrical vehicles (EVs) can help to de-carbonise the environment, but a downside isthe technical issues presented to the low-voltage distribution network. To quantify the stochastic nature of transport-affectedelectrification, probabilistic load flow is employed. Monte Carlo-based simulation is applied to accommodate the probabilisticuncertainties associated with variable EV charging patterns. This study considers high-power charging (up to 11 kW) at thedomestic level while monitoring power quality variations (voltage drop, voltage unbalance factor, voltage sag) standards. Thiswork focuses on the Irish and UK, distribution system operator's–transmission …

A Conceptual Model To Explain Dark Matter And Dark Energy, Jonathan Blackledge

Articles

t This paper considers a conceptual model that attempts to explain ‘Dark Matter’ and ‘Dark Energy’. The model is based on considering a gravitational field to be the result of a mass (a Higgs field) scattering pre-existing cosmic background space-time waves or ‘Uber-waves’. The term ‘Uber’ is used to denote an outstanding or supreme example of a particular kind of gravitational wave with cosmic-scale wavelengths that are far in excess of those associated with the gravitational waves generated by accelerating masses. Such waves are taken to be the very lowest frequency components associated with the spectrum of space-time waves generated …

Indirect Sliding Mode Control For Dc-Dc Sepic Converters, Hasan Komurcugil, Samet Biricik, Naki Guler

Articles

This article presents an indirect sliding mode control (SMC) for single-ended primary-inductor converters (SEPIC). Unlike the conventional SMC methods, the proposed SMC method employs a sliding surface function based on the input current error only. The use of such sliding surface function not only simplifies the implementation but also reduces the cost of implementation. It is shown that the output voltage control can be achieved indirectly. The input current reference is generated by a proportional-integral (PI) regulator. The existence condition and the region of the closed-loop system are determined for all possibilities of the PI gains. The performance of the …

Stabilization Dynamics Of The Ozone Molecular System, Sangeeta Sur

Doctoral Dissertations

"The observation of larger-than-expected concentrations of heavier isotopologues of ozone known as 'ozone isotopic anomaly' in the stratosphere is a mass-independent effect (in contrast to most kinetic isotope effects familiar to chemists) that is traced back to the recombination process in the formation of ozone in the Chapman cycle. Understanding the relative efficiencies (often approximated as equal for different isotopologues) of the stabilization step (some of the details of which are still a mystery) which involves energy transfer from a highly excited ozone molecule to a third body, M (argon atom in this case) to form stable ozone is a …

Improved Attenuation And Crosstalk Modeling Techniques For High-Speed Channels, Shaohui Yong

Doctoral Dissertations

”As digital systems are moving in the direction of faster data transmission rate and higher density of circuits, the problem of the far-end crosstalk (FEXT) and frequency-dependent attenuation are becoming the major factors that limit signal integrity performance. This research is focusing on providing several more comprehensive and accurate modeling approaches for striplines on fabricated printed circuit board (PCB). By characterizing the dielectric permittivity of prepreg and core, dielectric loss tangent, and copper foil surface roughness using measurement data, a better agreement between the stripline model and measurement is achieved. First, a method is proposed to extract dielectric loss tangent …

System Efficient Esd Design Concept For Soft Failures, Giorgi Maghlakelidze

Doctoral Dissertations

"This research covers the topic of developing a systematic methodology of studying electrostatic discharge (ESD)-induced soft failures. ESD-induced soft failures (SF) are non-destructive disruptions of the functionality of an electronic system. The soft failure robustness of a USB3 Gen 1 interface is investigated, modeled, and improved. The injection is performed directly using transmission line pulser (TLP) with varying: pulse width, amplitude, polarity. Characterization provides data for failure thresholds and a SPICE circuit model that describes the transient voltage and current at the victim. Using the injected current, the likelihood of a SF is predicted. ESD protection by transient voltage suppressor …

A Novel Pool Of Microparticle Cholesterol Is Elevatedin Rheumatoid Arthritis But Not In Systemic Lupus Erythematosus Patients, Shuai Shuai Hu, Brenton L. Cavanagh, Robert Harrington, Muddassar Ahmad, Grainne Kearns, Steve Meaney, Claire Wynne

Articles

Microparticles are sub-micron, membrane-bound particles released from virtually allcells and which are present in the circulation. In several autoimmune disorders their amountand composition in the circulation is altered. Microparticle surface protein expression has beenexplored as a differentiating tool in autoimmune disorders where the clinical pictures can overlap.Here, we examine the utility of a novel lipid-based marker—microparticle cholesterol, present in allmicroparticles regardless of cellular origin—to distinguish between rheumatoid arthritis (RA) andsystemic lupus erythematosus (SLE). We first isolated a series of microparticle containing lipoproteindeficient fractions from patient and control plasma. There were no significant differences in thesize, structure or protein content of …

Twenty Years Of Exceptional Success: The MOlecular EDucation And REsearch COnsortium In UNdergraduate Computational ChemistRy (Mercury)” , George C. Shields

Chemistry Publications

The molecular education and research consortium in undergraduate computational chemistry (MERCURY) consortium, established in 2000, has contributed greatly to the scientific development of faculty and undergraduates. The MERCURY faculty peer-reviewed publication rate from 2001 to 2019 of 1.7 papers/faculty/year is 3.4 times the rate of the physical science faculty at primarily undergraduate institutions. We have worked with over 1000 students on research projects since 2001, and 75% of our undergraduate research students have been under-represented in chemistry, either female or students of color. Approximately half of our alumni attend graduate school for the purpose of obtaining advanced degrees in STEM …

Visualizing The Mean And The Standard Deviation Using R/Rstudio Shiny Package, Rachel Hufnagel, Ziyi Chen, Mamunur Rashid, Jyotirmoy Sarkar

Student Research

Many of us have experienced an unpleasant situation in which only the mean and the standard deviation of a data set are reported, but we are expected to know everything about the dataset as if those two values were all we needed to know. We would learn so much more if there were easy ways to create and share graphical representations and interpretations of the entire raw data. In this paper, we not only explain what the mean and the standard deviation tell us about a data set, but also describe how to include additional information on the data. We …

Therapeutic Dna: Delivery And As A Delivery Vehicle, Natalie J. Holl

Masters Theses

"A review of gene delivery methods and gene editing methods, as well as original research utilizing DNA as a delivery vehicle is presented in the following thesis. Thousands of diseases have been linked to genes. Gene therapy, either delivering therapeutic genes or editing DNA bases, has arisen as a treatment option with the potential to cure diseases, rather than just ease symptoms. Genes and editing tools need to be delivered to cells for these therapies to be effective and many techniques have been developed to address the issue of delivery. Nonviral and viral methods have been used to deliver nucleic …

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 …

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 …

Flash Vep In Clinically Stable Pre-Term And Full-Term Infants, Anish Kharal, Safal Khanal, Jyoti Baba Shrestha, Gauri Shankar Shrestha, Nabin Paudel

Articles

Purpose

Pre-term infants are at risk of abnormal visual development that can range from subtle to severe. The aim of this study was to compare flash VEPs in clinically stable pre-term and full-term infants at 6 months of age.

Methods

Twenty-five pre-term and 25 full-term infants underwent flash VEP testing at the age of 6 months. Monocular VEPs were recorded using flash goggles on a RETIscan system under normal sleeping conditions. Amplitude and peak time responses of the P2 component in the two eyes were averaged and compared between the two groups. Multiple regression analyses were performed to assess the …

Smartphone Use As A Possible Risk Factor For Myopia, Saoirse Mccrann, James Loughman, John Butler, Nabin Paudel, Daniel Ian Flitcroft

Articles

Clinical Relevance

This study demonstrates an association between myopia and smartphone data usage. Youths now spend more time participating in near tasks as a result of smartphone usage. This poses an additional risk factor for myopia development/progression and is an important research question in relation to potential myopia management strategies.

Background

Children are now exposed to another possible environmental risk factor for myopia-smartphones. This study investigates the amount of time students spend on their smartphones and their pattern of smartphone usage from a myopia perspective.

Methods

Primary, secondary and third-level students completed a questionnaire exploring patterns of smartphone usage and …

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 …

Prevalence Of Colour Vision Deficiency In The Republic Of Ireland Schoolchildren And Associated Socio-Demographic Factors, Síofra Harrington, Peter Davison, Veronica O'Dwyer

Articles

Clinical relevance: Early screening is essential to counsel schoolchildren with congenital colour vision deficiency (CVD) in determining their future career path and to advise teachers of the impact of CVD on classroom difficulties.

Background: Congenital CVD is an X-linked genetic abnormality relatively commonplace in humans. This study aimed to determine the prevalence of congenital CVD in the Republic of Ireland schoolchildren and associated socio-demographic factors.

Methods: A total of 1,626 schoolchildren (882 boys and 744 girls), in two age groups (728 aged 6–7 years and 898 aged 12–13 years) were examined from randomly selected schools. Colour vision …

The Efficacy Of Warm Compresses In The Treatment Of Meibomian Gland Dysfunction And Demodex Folliculorum Blepharitis, Orla Murphy, Veronica O'Dwyer, Aoife Lloyd-Mckernan

Articles

Purpose: To investigate and compare the effect of warm compresses on meibomian gland dysfunction and Demodex folliculorum blepharitis.

Methods: Forty-two subjects (13 males, 29 females; mean age of 56.45 years) enrolled and completed the two-month warm compress treatment study. Three warm compress therapies were compared: Warm face cloth, MGDRx EyeBag® and OPTASETM Moist Heat Mask. Subjects attended for four visits: baseline, two weeks, four weeks, and eight weeks. Subjective symptoms, osmolarity, non-invasive tear break-up time, ocular surface staining, Schirmer I test, meibum expressibility and clarity, and eyelash manipulation and epilation to assess for the presence of Demodex folliculorum, …

Phenotypic And Functional Characteristics Of Exosomes Derived From Irradiated Mouse Organs And Their Role In The Mechanisms Driving Non-Targeted Effects, Seda Tuncay Cagatay, Ammar Mayah, Mariateresa Mancuso, Paola Giardullo, Simonetta Pazzaglia, Anna Saran, Amuthachelvi Daniel, Damian Traynor, Aidan Meade, Fiona Lyng, Soile Tapio Tapio, Munira Kadhim Munira Kadhim

Articles

No abstract provided.

Prediction Of Pathological Response To Neo‐Adjuvant Chemoradiotherapy For Oesophageal Cancer Using Vibrational Spectroscopy, Thi Nguyet Que Nguyen, Adrian Maguire, Catherine Mooney, Naomi Jackson, Niamh Lynam-Lennon, Vicki Weldon, Cian Muldoon, Aoife Maguire, Dermot O'Toole, Narayanasamy Ravi, John V. Reynolds, Jacintha O'Sullivan, Aidan Meade

Articles

No abstract provided.

Synchrotron Microct Reveals The Potential Of The Dual Contrast Technique For Quantitative Assessment Of Human Articular Cartilage Composition, Miitu K.M. Honkanen, Annina E.A. Saukko, Mikael J. Turunen, Rubina Shaikh, Mithilesh Prakash, Goran Lovric, Antti Joukainen, Heikki Kröger, Mark W. Grinstaff, Juha Töyräs

Articles

Dual contrast micro computed tomography (CT) shows potential for detecting articular cartilage degeneration. However, the performance of conventional CT systems is limited by beam hardening, low image resolution (full-body CT), and long acquisition times (conventional microCT). Therefore, to reveal the full potential of the dual contrast technique for imaging cartilage composition we employ the technique using synchrotron microCT. We hypothesize that the above-mentioned limitations are overcome with synchrotron microCT utilizing monochromatic X-ray beam and fast image acquisition. Human osteochondral samples (n = 41, four cadavers) were immersed in a contrast agent solution containing two agents (cationic CA4+ and non-ionic gadoteridol) …

Judicial Drift, Elizabeth Nevins-Saunders

Hofstra Law Faculty Scholarship

Although there is broad consensus on what constitutes procedural due process in criminal cases, in courtrooms around the country, those ideals are often disregarded. In the wake of rising public attention to misdemeanors, be it through marijuana decriminalization or concern over unduly punitive fees and surcharges, a few scholars have pointed to theories explaining the gulf between rights and reality for low-level defendants. Yet none have expressly considered the impact of administrative rules made (or not made) at the courthouse level. This Article analogizes the courthouse to an administrative agency and borrows the doctrine of “bureaucratic drift” to explain how …

2019 International Trade Law Decisions Of The Federal Circuit, Kevin J. Fandl

American University Law Review

No abstract provided.

America's Amoral Constitution, Richard Albert

American University Law Review

The celebrated United States Constitution does not derive its legitimacy from morality. Its legitimacy is rooted in an amoral code structured around the peculiar value of outcome-neutrality. By design, the Constitution does not evaluate whether a lawful choice is morally right or wrong; it evaluates only whether the choice satisfies the procedures the Constitution requires for it to have been made. What matters, then, is not the content of the choice. It is the very act of choosing. These fiercely democratic foundations serve as both the font of the Constitution’s popular legitimacy and more ominously the greatest threat to the …