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Atomistic study of zwitterionic peptoid antifouling brushes
(NUI Galway, 2018-09-03)Simulation files, analysis scripts, and output data to accompany article: Cheung, David L., & Lau, King Hang Aaron. (2018). Atomistic Study of Zwitterionic Peptoid Antifouling Brushes. Langmuir. doi: 10.1021/acs.langm ... -
Atomistic study of zwitterionic peptoid antifouling brushes
(American Chemical Society, 2018-08-24)Using molecular dynamics (MD) simulations, we study the molecular behavior and hydration properties of a set of zwitterionic peptoid brushes, grafted on a rutile surface, that has been previously reported to exhibit ... -
A gene regulatory network underlying the formation of pre-placodal ectoderm in Xenopus laevis
(BioMed Central, 2018-06-16)Background: The neural plate border ectoderm gives rise to key developmental structures during embryogenesis, including the neural crest and the preplacodal ectoderm. Many sensory organs and ganglia of vertebrates develop ... -
Characterising glyphosate exposures among amenity horticulturists using multiple spot urine samples
(Elsevier, 2018-07-08)Background Glyphosate has recently received much public attention following its Group 2A probably carcinogenic to humans classification from the International Agency for Research on Cancer. Despite the widespread ... -
Estimating average attributable fractions with confidence intervals for cohort and case control studies
(SAGE Publications, 2016-06-24)Chronic diseases tend to depend on a large number of risk factors, both environmental and genetic. Average attributable fractions were introduced by Eide and Gefeller as a way of partitioning overall disease burden into ... -
Wrinkles and creases in the bending, unbending and eversion of soft sectors
(The Royal Society, 2018-03-23)We study what is clearly one of the most common modes of deformation found in nature, science and engineering, namely the large elastic bending of curved structures, as well as its inverse, unbending, which can be brought ... -
RIP2 enhances cell survival by activation of NF-ĸB in triple negative breast cancer cells
(Elsevier, 2018-02-06)Receptor-interacting protein 2 (RIP2) is an essential mediator of inflammation and innate immunity, but little is known about its role outside the immune system. Recently, RIP2 has been linked to chemoresistance of triple ... -
Stress management at the ER: regulators of ER stress-induced apoptosis.
(Elsevier, 2012-02-17)The endoplasmic reticulum (ER) is an elaborate cellular organelle essential for cell function and survival. Conditions that interfere with ER function lead to the accumulation and aggregation of unfolded proteins which are ... -
Performance review of multiple reference versus time domain optical coherence tomography
(IEEE, 2018-04-19)We present a detailed characterization of noise sources in multiple reference optical coherence tomography (MR-OCT) compared to time-domain OCT (TD-OCT). The noise characteristics were modeled based on the TD-OCT noise ... -
Pilot study to investigate indoor air quality (IAQ) in energy efficient homes in Ireland: Report prepared for EPA STRIVE and Sustainable Energy Authority of Ireland
(School of Physics, NUI Galway, 2010-09)Within this pilot study a number of Indoor air pollutants were measured in five energy efficient homes built to enhanced standards of air tightness of between 0.75 m3 /hr/m2 and 8.75 m3 /hr/m2 . The five homes were ... -
Indoor air quality and thermal comfort in Irish retrofitted energy efficient homes
(School of Physics, NUI Galway, 2017-03-14)Results from an Irish study comparing the concentrations of 10 indoor air pollutants and occupant comfort in 15 naturally ventilated three bed semi-detached two storey homes before and after the implementation of energy ... -
A Cu(II) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights
(Royal Society of Chemistry, 2016-12-01)A new Cu-based anticancer metallodrug which targets the translocator protein is reported. [CuBr2(TZ6)] elicits a remarkable in vitro cytotoxicity in sensitive and multidrug resistant cell lines and induces a 98% reduction ... -
A comprehensive cocrystal screening study of chlorothiazide
(American Chemical Society, 2017-09-01)Cocrystal formation of chlorothiazide (ctz) was screened with a variety of coformers with carboxyl, amide, hydroxyl, sulfonamide, pyridine, amidine, and amine functional groups. New cocrystals with acetamide (aca), benzamide ... -
Antitumor platinum(IV) derivatives of carboplatin and the histone deacetylase inhibitor 4-phenylbutyric acid
(Elsevier, 2017-09-10)Five new platinum(IV) derivatives of carboplatin each incorporating the histone deacetylase inhibitor 4-phenylbutyrate in axial position were synthesized and characterized by 1H and 195Pt NMR spectroscopy, electrospray ... -
A comprehensive spectroscopic study of the polymorphs of diflunisal and their phase transformations
(Elsevier, 2017-06-08)Understanding phase transitions in pharmaceutical materials is of vital importance for drug manufacturing, processing and storage. In this paper we have carried out comprehensive high-resolution spectroscopic studies on ... -
The natural bile acid surfactant sodium taurocholate (NaTC) as a coformer in coamorphous systems: Enhanced physical stability and dissolution behavior of coamorphous drug-NaTc systems
(Elsevier, 2018-10-28)The amorphization of 18 different drugs on milling with one mole equivalent sodium taurocholate (NaTC) was investigated. In all cases the X-ray powder pattern showed an amorphous halo after milling at room temperature or ... -
Applications of raman spectroscopy in biopharmaceutical manufacturing: A short review
(Sage Publications, 2017-05-23)The production of active pharmaceutical ingredients (APIs) is currently undergoing its biggest transformation in a century. The changes are based on the rapid and dramatic introduction of protein- and macromolecule-based ... -
Investigation of depth-resolved nanoscale structural changes in regulated cell proliferation and chromatin decondensation
(2013)We present depth-resolved spatial-domain low-coherence quantitative phase microscopy, a simple approach that utilizes coherence gating to construct a depth-resolved structural feature vector quantifying sub-resolution axial ... -
Synthesis of migrastatin analogues as inhibitors of tumour cell migration: Exploring structural change in and on the macrocyclic ring
(Wiley, 2015-11-04)Migrastatin and isomigrastatin analogues have been synthesised in order to contribute to structure-activity studies on tumour cell migration inhibitors. These include macrocycles varying in ring size, functionality and ...