Chemistry Commons^™

Unlocking The Knowledge: The Key To Delivering The Compliance And Business Benefits Outlined In Ich Q10 For Medicinal Product Manufacture, Nuala Calnan (Editor)

Conference Papers

This paper presents the challenges of delivering a holistic approach to the Pharmaceutical Quality System (Q10) expectations for medicinal product manufacture. It reviews the key findings from the recent ‘Operational Excellence in the Pharmaceutical Industry’ St. Gallen Uni. benchmarking report and explores the theme of 'Knowledge as the Key'. It explores how can we utilise familiar OPEX, Lean/ Six Sigma tools to capture this knowledge and deliver the expectations and opportunities for ICH Q10 and discusses this researchers study in the area of knowledge management and operational excellence.
It also includes a review of both the Regulatory Drivers and recent …

Nitrogen And Copper Doped Solar Light Active Tio2 Photocatalysts For Water Decontamination, Mike Fisher, Donal Keane, Pilar Fernandez-Ibanez, John Colreavy, Stephen Hinder, Kevin Mcguigan, Suresh Pillai

Articles

A novel class of photocatalytic coating capable of degrading bacterial and chemical contaminants in the presence of visible sunlight wavelengths was produced by depositing a stable photocatalytic TiO

2 film on the internal lumen of glass bottles via a sol–gel method. This coating was prepared in either undoped form or doped with nitrogen and/or copper to produce visible light-active TiO2 films which were annealed at 600 ◦C and were characterized by Raman and X-ray photoelectron spectroscopy. The presence of doped and undoped TiO2 films was found to accelerate the degradation of methylene blue in the presence of natural sunlight, while …

The Influence Of Auxiliary Ligands On The Photophysical Characteristics Of A Series Of Ruthenium (Ii) Polypyridyl Complexes, Luke O'Neill, Laura Perdisatt, Christine O'Connor

Articles

A series of ruthenium polypyridyl complexes were studied using UV/Vis absorption and luminescence spectroscopy as well as luminescence lifetime determination by time correlated single photon counting (TCSPC). The complexes were characterised with regard to the variation in the electronic band-gap as a result of the sequential variation of the auxiliary ligand 2,2’-bipyridine (bpy), 1,10-phenanthroline (phen) and 2,2’-biquinoline (biq) ligands while the main ligand remained constant for three different main ligand types. Luminescence yields were calculated and correlated with structural and electronic variation. It was found that both the absorption and emission characteristics could be tailored through the systematic variation of …

A Review On The Visible Light Active Titanium Dioxide Photocatalysts For Environmental Applications, Miguel Pelaez, Nicholas Nolan, Suresh Pillai, Michael Seery, Polycarpos Falaras, Athanassios G. Kontos, Patrick S.M. Dunlop, Jeremy W.J. Hamiltone, J. Anthony Byrne, Kevin O’Shea, Mohammad H. Entezari, Dionysios D. Dionysiou

Articles

Development of visible light active (VLA) titania photocatalysts

Fujishima and Honda (1972) demonstrated the potential of titanium dioxide (TiO 2) semiconductor mate-rials to split water into hydrogen and oxygen in a photo-electrochemical cell. Their work triggered the development of semiconductor photocatalysis for a wide range of environmental and energy applica-tions. One of the most significant scientific and commercial advances to date has been the development of visible light active (VLA) TiO2 photocatalytic materials. In this review, a background on TiO2 struc-ture, properties and electronic properties in photocatalysis is presented. The development of different strategies to modify TiO2 for the utilization …

An Analysis Of Drug Dissolution In Vivo, David Mcdonnell

Doctoral

The testing of drug dissolution rates from solid dosage forms is a very important area of research within the pharmaceutical industry. The ability to produce drugs with a given dissolution rate will lead to improved performance in the treatment of patients and will be of economic benefit to the pharmaceutical industry. However, dissolution testing in laboratories, aimed at reflecting in-vivo conditions, can be both time consuming and costly. Currently, most simulations of drug dissolution take place in standardized USP (United States Pharmaceutical) apparatuses. A number of these apparatuses exist, and it is the aim of this thesis to analyse drug …

Stiefel And Grassmann Manifolds In Quantum Chemistry, Eduardo Chiumiento, Michael Melgaard

Articles

We establish geometric properties of Stiefel and Grassmann manifolds which arise in relation to Slatertype variational spaces in many-particle Hartree-Fock theory and beyond. In particular, we prove thatthey are analytic homogeneous spaces and submanifolds of the space of bounded operators on the single-particle Hilbert space. As a by-product we obtain that they are complete Finsler manifolds. These geometric properties underpin state-of-the-art results on existence of solutions to Hartree-Fock type equations.

Preparation And Rapid Analysis Of Antibacterial Silver, Copper And Zinc Doped Sol–Gel Surfaces, Brendan Duffy, Swarna Jaiswal, Patrick Mchale

Articles

The colonisation of clinical and industrial surfaces with microorganisms, including antibiotic-resistant strains, has promoted increased research into the development of effective antibacterial and antifouling coatings. This study describes the preparation of metal nitrate (Ag, Cu, Zn) doped methyltriethoxysilane (MTEOS) coatings and the rapid assessment of their antibacterial activity using polyproylene microtitre plates. Microtitre plate wells were coated with different volumes of liquid sol–gel and cured under various conditions. Curing parameters were analysed by thermogravimetric analysis (TGA) and visual examination. The optimum curing conditions were determined to be 50–70C using a volume of 200ul. The coated wells were challenged with Gram-positive …

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).

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 …

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), …

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.