Browsing College of Science by Author "http://dx.doi.org/10.13039/501100001602"
Now showing items 1-20 of 121
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An ab initio/transition state theory study of the reactions of Ċ5H9 species of relevance to 1,3-Pentadiene, Part II: Pressure dependent rate constants and implications for combustion modeling
Sun, Yanjin; Zhou, Chong-Wen; Somers, Kieran P.; Curran, Henry J. (American Chemical Society, 2020-05-12)The temperature- and pressure-dependence of rate constants for several radicals and unsaturated hydrocarbons reactions (1,3-C5H8/1,4-C5H8/cyC(5)H(8) + (H)over dot, C2H4 + (C)over dot(3)H5-a, C3H6 + (C)over dot(2)H(3)) are ... -
Analyzing protein conjugation reactions for antibody-drug conjugate synthesis using polarized excitation emission matrix spectroscopy
de Faria e Silva, Ana L.; Ryder, Alan G. (Wiley, 2022-09-07)Antibody-drug conjugates (ADCs) are promising anticancer therapeutics, which offer important advantages compared to more classical therapies. There are a variety of ADC critical quality attributes (CQAs) such as the protein ... -
Animal life history is shaped by the pace of life and the distribution of age-specific mortality and reproduction
Healy, Kevin; Ezard, Thomas H. G.; Jones, Owen R.; Salguero-Gómez, Roberto; Buckley, Yvonne M. (Nature Research (part of Springer Nature), 2019-07-08)Animals exhibit an extraordinary diversity of life history strategies. These realized combinations of survival, development and reproduction are predicted to be constrained by physiological limitations and by trade-offs ... -
Anomer preferences for glucuronic and galacturonic acid and derivatives and influence of electron-withdrawing substituents
Kerins, Louise; Byrne, Sylvester; Gabba, Adele; Murphy, Paul V. (American Chemical Society, 2018-07-04)Equilibrium anomeric ratios are reported for pyranoses (hemiacetals) of glucuronic and galacturonic acid and their derivatives. These are compared to related gluco- and galactopyranoses and to deoxyfluorogluco- and ... -
Application of ball milling for highly selective mechanochemical polymorph transformations
Kamali, Naghmeh; Gniado, Katarzyna; McArdle, Patrick; Erxleben, Andrea (American Chemical Society, 2018-06-07)Milling is an important secondary processing technique in the manufacture of pharmaceuticals, primarily used as a particle size reduction process. p-Aminobenzoic acid (PABA), m-aminobenzoic acid (MABA), o-aminobenzoic acid ... -
Applications of raman spectroscopy in biopharmaceutical manufacturing: A short review
Buckley, Kevin; Ryder, Alan G. (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 ... -
Biological phosphorus removal during high-rate, low-temperature, anaerobic digestion of wastewater
Keating, Ciara; Chin, Jason P.; Hughes, Dermot; Manesiotis, Panagiotis; Cysneiros, Denise; Mahony, Therese; Smith, Cindy J.; McGrath, John W.; O'Flaherty, Vincent (Frontiers Media, 2016-03-03)We report, for the first time, extensive biologically mediated phosphate removal from wastewater during high-rate anaerobic digestion (AD). A hybrid sludge bed/fixed-film (packed pumice stone) reactor was employed for ... -
Building blocks from monosaccharides for synthesis of scaffolds, including macrocycles. Application of allylic azide rearrangement, azide-alkyne cycloaddition and ring closing metathesis
Fox, Karen A.; Chadda, Rekha; Cardona, Francisco; Barron, Stephen; McArdle, Patrick; Murphy, Paul V. (Elsevier, 2020-09-18)Synthesis of compounds with characteristics of natural products are required to increase the diversity and biological relevance of compounds for screening. These include new frameworks/scaffolds, with multiple stereogenic ... -
Calibration, standardization, and quantitative analysis of multidimensional fluorescence (MDF) measurements on complex mixtures (IUPAC Technical Report)
Ryder, Alan G.; Stedmon, Colin A.; Harrit, Niels; Bro, Rasmus (De Gruyter, 2017-11-15)This IUPAC Technical Report describes and compares the currently applied methods for the calibration and standardization of multi-dimensional fluorescence (MDF) spectroscopy data as well as recommendations on the correct ... -
Calixarene-mediated assembly of a small antifungal protein
Alex, Jimi M.; Rennie, Martin L.; Engilberge, Sylvain; Lehoczki, Gábor; Dorottya, Hajdu; Fizil, Ádám; Batta, Gyula; Crowley, Peter B. (International Union of Crystallography, 2019-02-05)Synthetic macrocycles such as calixarenes and cucurbiturils are increasingly applied as mediators of protein assembly and crystallization. The macrocycle can facilitate assembly by providing a surface on which two or more ... -
Carboxylic acids production and electrosynthetic microbial community evolution under different CO2 feeding regimes
Dessì, Paolo; Sánchez, Carlos; Mills, Simon; Cocco, Francesco Giuseppe; Isipato, Marco; Ijaz, Umer Z.; Collins, Gavin; Lens, Piet N.L. (Elsevier, 2020-10-15)Microbial electrosynthesis (MES) is a potential technology for CO2 recycling, but insufficient information is available on the microbial interactions underpinning electrochemically-assisted reactions. In this study, a MES ... -
Cell culture media analysis using rapid spectroscopic methods
Ryder, Alan G. (Elsevier, 2018-09-24)Cell culture media (CCM) used in industrial biotechnology are complex mixtures of molecules and elements that are inherently difficult to analyze comprehensively. CCM quality analysis is of utmost importance for efficient ... -
Characterization of Lysozyme PEGylation products using polarized Excitation Emission Matrix (pEEM) spectroscopy
de Faria E Silva, Ana Luiza; Elcoroaristizabal, Saioa; Ryder, Alan G. (Wiley, 2020-07-07)The growing use of therapeutic proteins requires accurate measurement techniques for measuring biophysical and structural changes during manufacturing. This is particularly true for PEGylation of proteins, because ... -
A chemical kinetic perspective on the low-temperature oxidation of propane/propene mixtures through experiments and kinetic analyses
Ramalingam, Ajoy; Panigrahy, Snehasish; Fenard, Yann; Curran, Henry J.; Heufer, Karl Alexander (Elsevier, 2020-10-21)Our understanding of fuel oxidation has improved with rigorous experimental and theoretical investigations being performed in recent years. As investigation methods evolve, our understanding of fundamental fuel chemistry ... -
Cocrystal forms of the BCS class IV drug sulfamethoxazole
Alsubaie, Moneerh; Aljohani, Marwah; Erxleben, Andrea; McArdle, Patrick (American Chemical Society, 2018-05-23)Sulfamethoxazole, smz, is an antibiotic that is classified as a Biopharmaceutics Classification System (BCS) class IV, low solubility and low permeability drug. Cocrystal formation has been examined in an attempt to improve ... -
Cold adaptation and replicable microbial community development during long-term low-temperature anaerobic digestion treatment of synthetic sewage
Keating, Ciara; Hughes, D.; Mahony, D.; Cysneiros, T.; Ijaz, U. Z.; Smith, C. J.; O'Flaherty, Vincent (Oxford University Press, 2018-05-25)The development and activity of a cold-adapting microbial community was monitored during low-temperature anaerobic digestion (LtAD) treatment of wastewater. Two replicate hybrid anaerobic sludge bed-fixed-film reactors ... -
The combustion kinetics of the lignocellulosic biofuel, ethyl levulinate
Ghosh, Manik Kumer; Howard, Mícheál Séamus; Zhang, Yingjia; Djebbi, Khalil; Capriolo, Gianluca; Farooq, Aamir; Curran, Henry J.; Dooley, Stephen (Elsevier, 2018-04-04)Ethyl levulinate (Ethyl 4-oxopentanoate) is a liquid molecule at ambient temperature, comprising of ketone and ethyl ester functionalities and is one of the prominent liquid fuel candidates that may be easily obtained from ... -
Combustion of n-C3–C6 linear alcohols: An experimental and kinetic modeling study. Part I: Reaction classes, rate rules, model lumping, and validation
Pelucchi, M.; Namysl, S.; Ranzi, E.; Rodriguez, A.; Rizzo, C.; Somers, K. P.; Zhang, Y.; Herbinet, O.; Curran, Henry J.; Battin-Leclerc, F.; Faravelli, T. (American Chemical Society, 2020-10-27)This work (and the companion paper, Part II) presents new experimental data for the combustion of n-C3–C6 alcohols (n-propanol, n-butanol, n-pentanol, n-hexanol) and a lumped kinetic model to describe their pyrolysis and ... -
Combustion of n-C3–C6 linear alcohols: An experimental and kinetic modeling study. Part II: Speciation measurements in a jet-stirred reactor, ignition delay time measurements in a rapid compression machine, model validation, and kinetic analysis
Pelucchi, M.; Namysl, S.; Ranzi, E.; Rodriguez, A.; Rizzo, C.; Somers, K. P.; Zhang, Y.; Herbinet, O.; Curran, Henry J.; Battin-Leclerc, F.; Faravelli, T. (American Chemical Society, 2020-10-27)This work presents new experimental data for n-C3–C6 alcohol, combustion (n-propanol, n-butanol, n-pentanol, n-hexanol). Speciation measurements have been carried out in a jet-stirred reactor (p = 107 kPa, T = 550–1100 K, ... -
Comparative chemical kinetic analysis and skeletal mechanism generation for syngas combustion with NOx chemistry
Wang, Quan-De; Sun, Yanjin; Curran, Henry J. (American Chemical Society, 2019-12-09)Emission of nitrogen oxides (NOx) are one of the major environmental concerns arising from the combustion of syngas. Strategies to reduce emission and improve the efficiency of syngas combustion can be developed using ...