School of Chemistry (Scholarly Articles)
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Size exclusion chromatography for screening yeastolate used in cell culture media
(Elsevier, 2023-09-18)Yeastolate is often used as a media supplement in industrial mammalian cell culture or as a major media component for microbial fermentations. Yeastolate variability can significantly affect process performance, but analysis ... -
A route to 1-Deoxynojirimycin and 1-Deoxymannojirimycin derivatives with quaternary centers adjacent to the ring nitrogen from Methyl α-d-Mannopyranoside
(Wiley, 2020-02-03)6-Alkylated-8-azido-1,6-octadiene derivatives were prepared from methyl α-D-mannopyranoside. The sequence to allylic azide precursors included a Horner-Wadsworth-Emmons reaction with a concomitant epimerization that ... -
Advanced spectroscopy and APBS modeling for determination of the role of His190 and Trp103 in mouse thymidylate synthase interaction with selected dUMP analogues
(MDPI, 2021-03-06)A homo-dimeric enzyme, thymidylate synthase (TS), has been a long-standing molecular target in chemotherapy. To further elucidate properties and interactions with ligands of wild-type mouse thymidylate synthase (mTS) and ... -
Modelling Förster resonance energy transfer (FRET) using anisotropy resolved multi-dimensional emission spectroscopy (ARMES)
(Elsevier, 2020-11-16)Background Förster Resonance Energy Transfer (FRET) is widely used to study the structure and dynamics of biomolecular systems and also causes the non-linear fluorescence response observed in multi-fluorophore proteins. ... -
Analyzing protein conjugation reactions for antibody-drug conjugate synthesis using polarized excitation emission matrix spectroscopy
(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 ... -
Development of a rapid Polarized Total Synchronous Fluorescence Spectroscopy (pTSFS) method for protein quantification in a model bioreactor broth
(Wiley, 2021-01-27)Protein quantification during bioprocess monitoring is essential for biopharmaceutical manufacturing and is complicated by the complex chemical composition of the bioreactor broth. Here we present the early-stage development ... -
Evaluating the interaction of human serum albumin (HSA) and 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) liposomes in different aqueous environments using anisotropy resolved multi-dimensional emission spectroscopy (ARMES)
(Elsevier, 2022-01-07)Studying the interaction between plasma proteins and liposomes is critical, particularly for their use as drug delivery systems. Here, the efficacy of anisotropy resolved multidimensional emission spectroscopy (ARMES) for ... -
Experimental and kinetic modeling study of 3-Methyl-2-butenol (Prenol) oxidation
(American Chemical Society, 2021-08-19)Longer chain alcohols with 4–5 carbon atoms are attractive alternative fuels as they can be derived from biological sources and since their combustion leads to lower exhaust gas levels of NOx and soot compared to commercial ... -
Development of multipurpose skeletal core combustion chemical kinetic mechanisms
(American Chemical Society, 2021-03-25)Core combustion kinetic mechanisms for small C0¿C4 fuel molecules are not only of the utmost importance in understanding their individual combustion properties but are also the foundation for the development of kinetic ... -
The impact of the third O2 addition reaction network on ignition delay times of neo-pentane
(Elsevier, 2020-08-27)We studied the oxidation of neo-pentane by combining experiments, theoretical calculations, and mechanistic developments to elucidate the impact of the 3rd O2 addition reaction network on ignition delay time predictions. ... -
A kinetics and dynamics study on the auto-ignition of dimethyl ether at low temperatures and low pressures
(Elsevier, 2020-09-14)Though the combustion chemistry of dimethyl ether (DME) has been widely investigated over the past decades, there remains a dearth of ignition data that examines the low-temperature, low-pressure chemistry of DME. In this ... -
Hierarchical study of the reactions of hydrogen atoms with alkenes: A theoretical study of the reactions of hydrogen atoms with C2–C4 alkenes
(American Chemical Society, 2021-06-08)The present study complements our previous studies of the reactions of hydrogen atoms with C5 alkene species including 1- and 2-pentene and the branched isomers (2-methyl-1-butene, 2-methyl-2-butene, and 3-methyl-1-butene), ... -
An experimental and kinetic modeling study of the auto-ignition of natural gas blends containing C1–C7 alkanes
(Elsevier, 2020-07-16)Ignition delay time measurements for multi-component natural gas mixtures were carried out using a rapid compression machine at conditions relevant to gas turbine operation, at equivalence ratios of 0.5–2.0 in ‘air’ in the ... -
An experimental and kinetic modeling study of the ignition delay characteristics of binary blends of ethane/propane and ethylene/propane in multiple shock tubes and rapid compression machines over a wide range of temperature, pressure, equivalence ratio, and dilution
(Elsevier, 2021-03-02)In this work, the ignition delay time characteristics of C2 – C3 binary blends of gaseous hydrocarbons including ethylene/propane and ethane/propane are studied over a wide range of temperatures (750 – 2000 K), pressures ... -
Understanding the antagonistic effect of methanol as a component in surrogate fuel models: A case study of methanol/n-heptane mixtures
(Elsevier, 2021-01-19)Methanol is a widely used engine fuel, blend component, and additive. However, no systematic auto-ignition data or laminar flame speed measurements are available for kinetic studies of the effect of methanol as a blending ... -
A fundamental study on the pyrolysis of hydrocarbons
(Elsevier, 2021-07-10)A newly developed detailed chemical kinetic mechanism, NUIGMech1.1, is used to study the pyrolysis of C1 ¿ C7 hydrocarbons at a constant initial fuel concentration in the temperature range 900 ¿ 2000 K. We observe that, ... -
A comprehensive experimental and kinetic modeling study of 1-hexene
(Elsevier, 2021-06-13)It is important to understand the low-temperature chemistry of 1-hexene as it is used as a representative alkene component in gasoline surrogate fuels. Ignition delay times (IDTs) of 1-hexene measured in rapid compression ... -
An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions
(Elsevier, 2021-07-27)Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C 6 H 6 isomers ... -
A single pulse shock tube study of pentene isomer pyrolysis
(Elsevier, 2020-08-02)A single-pulse shock tube study of the four pentene isomers is carried out at 2¿±¿0.16¿bar and 900¿1600¿K. C1 to C6 species profiles were recorded using gas chromatography mass spectrometry analyses. The species are ... -
A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene
(Elsevier, 2020-09-23)A comparative reactivity study of 1-alkene fuels from ethylene to 1-heptene has been performed using ignition delay time (IDT) measurements from both a high-pressure shock tube and a rapid compression machine, at an ...