School of Chemistry: Recent submissions
Now showing items 201-220 of 1366
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Chapter 9: Porphyrinoids for Photodynamic Therapy
(2021)This chapter gives an overview of porphyrinoids for use in photodynamic therapy. It covers the characteristics, properties, and current treatments or porphyrin-based photosensitizers. The first section introduces the ... -
Synthesis and Properties of BODIPY Appended Tetraphenylethylene Scaffolds as Photoactive Arrays
(2021)Tetraphenylethylene (TPE) and its derivatives exhibit excellent aggregation-induced emission (AIE) properties. The TPE unit is easily accessible, and many functional groups can be introduced in a facile manner to yield ... -
Quantitative Structure-Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy-Atom-Free BODIPY Photosensitizers
(2021)Heavy-atom-free sensitizers forming long-living triplet excited states via the spin-orbit charge transfer intersystem crossing (SOCT-ISC) process have recently attracted attention due to their potential to replace costly ... -
Steric Repulsion Induced Conformational Switch in Supramolecular Structures
(2022)Inspired by the rigidified architecture of ‘picket-fence’ systems, we propose a strategy utilizing strain to impose intramolecular tension in already peripherally overcrowded structures leading to selective atropisomeric ... -
Dipyrrinato-Iridium(III) Complexes for Application in Photodynamic Therapy and Antimicrobial Photodynamic Inactivation
(2021)The generation of bio-targetable photosensitizers is of utmost importance to the emerging field of photodynamic therapy and antimicrobial (photo-)therapy. A synthetic strategy is presented in which chelating dipyrrin ... -
Structural effects of meso-halogenation on porphyrins
(2021)The use of halogens in the crystal engineering of supramolecular porphyrin assemblies has been a topic of strong interest over the past decades. With this in mind we have characterized a series of direct meso-halogenated ... -
Structural, Photophysical, and Photobiological Studies on BODIPY-Anthracene Dyads
(2021)We report the structural, photophysical, and photobiological properties of a promising BODIPY-anthracene dyad (BAD) that was previously shown to i nduce a therapeutic effect against MDA-MB-468 cells. The BODIPY was ... -
An Insight into Non-Covalent Interactions on the Bicyclo[1.1.1]pentane Scaffold
(2021)Bicyclo[1.1.1]pentane (BCP) is studied extensively as a bioisosteric component of drugs. Not found in nature, this molecular unit approximates the distance of a para-disubstituted benzene which is replaced in medicines as ... -
Crystal structures of 4-bromo-2-formyl-1-tosyl-1 H-pyrrole, ( E)-4-bromo-2-(2-nitro-vin-yl)-1-tosyl-1 H-pyrrole and 6-(4-bromo-1-tosyl-pyrrol-2-yl)-4,4-dimethyl-5-nitro-hexan-2-one
(2021)The crystal structures of three inter-mediate compounds in the synthesis of 8-bromo-2,3,4,5-tetra-hydro-1,3,3-tri-methyl-dipyrrin are reported; 4-bromo-2-formyl-1-tosyl-1H-pyrrole, C12H10BrNO3S, (E)-4-bromo-2-(2-nitro-vi ... -
Strategic Synthesis of ‘Picket Fence’ Porphyrins Based on Nonplanar Macrocycles
(2021)Traditional ‘picket fence’ porphyrin systems have been a topic of interest for their capacity to direct steric shielding effects selectively to one side of the macrocycle. Sterically overcrowded porphyrin systems that adopt ... -
Classic highlights in porphyrin and porphyrinoid total synthesis and biosynthesis
(2021)Porphyrins feature prominently in nature, be it as enzymatic cofactors, electron and exciton shuffles, as photoactive dyes, or as signaling substances. Their involvement in the generation, storage and use of oxygen is ... -
Tuning the Electro-Optical Properties of Nanowire Networks
(2021)Conductive and transparent metallic nanowire networks are regarded as promising alternatives to Indium–Tin–Oxides (ITOs) in emerging flexible next-generation technologies due to their prominent optoelectronic properties ... -
High-valent late transition metal complexes for hydrocarbon oxidation
(Trinity College Dublin. School of Chemistry. Discipline of Chemistry, 2022)"Saturated hydrocarbons constitute the main feedstocks for energy production but their oxidation to valuable fine chemicals is still very challenging. Therefore the design and optimization of new catalysts for the ... -
Solution-based 'bottom-up' synthesis of group VI transition metal dichalcogenides and their applications
(2021)Research interest in the area of transition metal dichalcogenide (TMD) nanostructures has significantly increased in recent years. This interest is driven by their exceptional properties (e.g. semiconductor state, ... -
Amino-Functionalized Mesoporous Silica Nanoparticle-Encapsulated Octahedral Organoruthenium Complex as an Efficient Platform for Combatting Cancer
(American Chemical Society (ACS), 2020)In the process of synthesis of a new drug, as important as the drug itself is the formulation used, because the same compound can present a very different efficacy depending on how it is administered. In this work, we ... -
Real-world natural passivation phenomena can limit microplastic generation in water
(2022)Previous studies using Deionized (DI) water found that household plastic products used in food preparation and storage are a local and immediate source of extremely high quantities of microplastics (MPs) released ... -
Temperature-Responsive 4D Liquid Crystal Microactuators Fabricated by Direct Laser Writing by Two-Photon Polymerization
(2021)Over the past decade, progress in direct laser writing by two-photon polymerization (DLW-TPP) of stimuli-responsive materials has made considerable inroads into the realization of microactuators. With the focus on performing ... -
Sampling, Identification and Characterization of Microplastics Release from Polypropylene Baby Feeding Bottle during Daily Use
(2021)Microplastics (MPs) are becoming a global concern due to the potential risk to human health. Case studies of plastic products (i.e., plastic single-use cups and kettles) indicate that MP release during daily use can be ... -
In Search of Highly Emissive Fully Organic Compounds for Application in Molecular Electronics
(Trinity College Dublin. School of Chemistry. Discipline of Chemistry, 2022)The contents of this thesis can be summarised with two separate undertakings, with an overall goal to design, synthesise, and study novel organic materials. The first undertaking (Chapter Two) required detailed synthetic ... -
J2suscep: Calculation of magnetic exchange coupling and temperature dependence of magnetic susceptibility
(2021)The field of molecular magnetism has attracted significant interest owing to the rising need to miniaturize magnets. Advances in this field require a deep understanding of the electronic structure of magnets, and computational ...
