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A Comparative Study Of The Oxidation Characteristics Of Two Gasoline Fuels And An N-Heptane/Iso-Octane Surrogate Mixture, Tamour Javed, Ehson F. Nasir, Et-touhami Es-sebbar, Aamir Farooq 2015 SelectedWorks

A Comparative Study Of The Oxidation Characteristics Of Two Gasoline Fuels And An N-Heptane/Iso-Octane Surrogate Mixture, Tamour Javed, Ehson F. Nasir, Et-Touhami Es-Sebbar, Aamir Farooq

Dr. Et-touhami Es-sebbar

Ignition delay times and CO, H2O, OH and CO2 time-histories were measured behind reflected shock waves for two FACE (Fuels for Advanced Combustion Engines) gasolines and one PRF (Primary Reference Fuel) blend. The FACE gasolines chosen for this work are primarily paraffinic and have the same octane rating (∼RON = 84) as the PRF blend, but contain varying amounts of iso- and n-paraffins. Species time-histories and ignition delay times were measured using laser absorption methods over a temperature range of 1350–1550 K and pressures near 2 atm. Measured species time-histories and ignition delay times of the PRF blend and the ...


Application Of Colloidal Gas Aphron Suspensions Produced From Sapindus Mukorossi For Arsenic Removal From Contaminated Soil, Soumyadeep Mukhopadhyay Dr, Sumona Mukherjee Ms, Mohd Ali Hashim Dr, Bhaskar Sen Gupta Dr 2015 SelectedWorks

Application Of Colloidal Gas Aphron Suspensions Produced From Sapindus Mukorossi For Arsenic Removal From Contaminated Soil, Soumyadeep Mukhopadhyay Dr, Sumona Mukherjee Ms, Mohd Ali Hashim Dr, Bhaskar Sen Gupta Dr

Soumyadeep Mukhopadhyay Dr

Colloidal gas aphron dispersions (CGAs) can be described as a system of microbubbles suspended homogenously in a liquid matrix. This work examines the performance of CGAs in comparison to surfactant solutions for washing low levels of arsenic from an iron rich soil. Sodium Dodecyl Sulfate (SDS) and saponin, a biodegradable surfactant, obtained from Sapindus mukorossi or soapnut fruit were used for generating CGAs and solutions for soil washing. Column washing experiments were performed in down-flow and up flow modes at a soil pH of 5 and 6 using varying concentration of SDS and soapnut solutions as well as CGAs. Soapnut ...


Targeted Cancer Therapy Systems: An In Silico Study Of Radiohalogenated Ligands In The Estrogen Receptor And The Synthesis Of A Molecular Toolkit For The Fabrication Of Customizable Nanoparticles, Kelton Kerry Barnsley 2015 Northeastern University

Targeted Cancer Therapy Systems: An In Silico Study Of Radiohalogenated Ligands In The Estrogen Receptor And The Synthesis Of A Molecular Toolkit For The Fabrication Of Customizable Nanoparticles, Kelton Kerry Barnsley

Chemistry Master's Theses

Chemotherapy is often limited by off-target toxicity and the development of multi-drug resistance in response to treatment. Strategies which reduce off-target toxicity by passively or actively targeting cancer cells may improve the efficacy of chemotherapy. Herein, two projects relating to targeted therapy are described. In the first project, the binding modes of 1,1-bis(4-hydroxyphenyl)-2-phenylethylenes (THPEs), a class of synthetic estrogens previously developed by our group, in the human estrogen receptor alpha-ligand binding domain were studied using molecular modeling programs YASARA AutoDock and Schrodinger Glide. The results were internally consistent and supported the observation that a bromine or iodine ...


Exploring The Reactivity Of Donor-Acceptor Cyclopropanes And The Synthesis Of (+/-)-Quebrachamine, Huck K. Grover 2014 Western University

Exploring The Reactivity Of Donor-Acceptor Cyclopropanes And The Synthesis Of (+/-)-Quebrachamine, Huck K. Grover

University of Western Ontario - Electronic Thesis and Dissertation Repository

The development and utility of cyclopropanes is an ever-growing field within organic chemistry. In particular, donor-acceptor cyclopropanes have been used in a vast array of methods to access a variety of different hetero and carbocyclic molecular scaffolds. Recently, we have developed a Zn(NTf2)2 catalyzed tandem reaction consisting of a nucleophilic ringopening of 1,1-cyclopropanediesters by 2-alkynyl indoles followed by a Conia-ene ring closure, resulting in the efficient one-step synthesis of tetrahydrocarbazoles. These adducts may be further elaborated to carbazoles. The scope and limitations of this method were determined along with a mechanistic study into the function of the ...


Bidentate Ferrocenyl-Dithiol Reagents For Nanocluster Surface Functionalization, Yiyi Liu 2014 Western University

Bidentate Ferrocenyl-Dithiol Reagents For Nanocluster Surface Functionalization, Yiyi Liu

University of Western Ontario - Electronic Thesis and Dissertation Repository

Previous work using monodentate ferrocenyl-chalcogen reagents for nanocluster surface functionalization has indicated an effective way to involve ferrocene moieties onto the surface of these frameworks. However, the abilities of the large polynuclear nanocluster with ferrocene rich surface to form crystalline materials suitable for single crystal X-ray analysis proved to be limited. New bidentate ferrocenyl-chalcogen reagents have been synthesized and characterized in order to probe their ability in this case.

The preparation of new bidentate ferrocenyl chalcogen reagents 1,1’-fc(C{O}OCH2CH2SH)2 (fc = ferrocenyl) and 1,1’-fc(C{O}NHCH2CH2 ...


Scale-Up Methodology For Bench-Scale Slurry Photocatalytic Reactors Using Combined Irradiation And Kinetic Modelling, Patricio J. Valades Pelayo 2014 Western University

Scale-Up Methodology For Bench-Scale Slurry Photocatalytic Reactors Using Combined Irradiation And Kinetic Modelling, Patricio J. Valades Pelayo

University of Western Ontario - Electronic Thesis and Dissertation Repository

The present study focuses on developing a predictive methodology to scale-up a slurry annular photoreactor using a TiO2 Degussa P25 from the bench-scale to a pilot-plant scale. The bench-scale photoreactor is a Photo-CREC-Water II, a 2.65 L internally-irradiated slurry annular photocatalytic reactor. The pilot-plant scale photoreactor is a Photo-CREC Water Solar Simulator, a 9.8 L pilot-plant photoreactor, externally irradiated by eight lamps.

The adopted methodology allows the independent validation of radiative and kinetic models avoiding cross-correlation issues. The proposed approach involves two Monte Carlo methods, to model the Radiative Transfer Equation (RTE) inside each photoreactor. With this ...


Analysis Of Drug Interactions With Lipoproteins By High Performance Affinity Chromatography, Matthew R. Sobansky 2014 University of Nebraska - Lincoln

Analysis Of Drug Interactions With Lipoproteins By High Performance Affinity Chromatography, Matthew R. Sobansky

Student Research Projects, Dissertations, and Theses - Chemistry Department

High density lipoprotein (HDL), low density lipoprotein (LDL), and very low density lipoprotein (VLDL) are lipoproteins previously shown to bind many basic and neutral hydrophobic drugs in serum. These interactions impact the distribution, delivery, metabolism, and excretion of drugs and are important in determining drug activity, pharmacokinetics, and toxicity in the human body. Information about drug-lipoprotein interactions and the strength of these interactions can be useful in determining the distribution of drugs following administration.

The research presented in this dissertation uses high performance affinity chromatography (HPAC) and packed columns to study binding of the drug propranolol to immobilized lipoproteins such ...


A Novel Method For Confirming The Presence Of Volatile Reduced Sulfide Compounds Via Inductively Coupled Plasma-Optical Emission Spectroscopy, Krystal Lynne Parker 2014 The University of Southern Mississippi

A Novel Method For Confirming The Presence Of Volatile Reduced Sulfide Compounds Via Inductively Coupled Plasma-Optical Emission Spectroscopy, Krystal Lynne Parker

Master's Theses

Millions of dollars in destruction in the past decade have resulted from the use of Chinese drywall in homes. There are also potential health hazards related to this corrosive material. As such, it is important to find a way to identify Chinese drywall. Drywall can be tested for certain markers, such as strontium, sulfur, and carbonates to identify it as corrosive Chinese drywall. The laboratory preparation and analysis should be efficient and cost effective. The methods previously used, such as an X-ray fluorescence gun have had issues with getting a proper reading due to the layers of other materials found ...


Development And Application Of Combined Quantum Mechanical And Molecular Mechanical Methods, Rui Lai 2014 University of Nebraska - Lincoln

Development And Application Of Combined Quantum Mechanical And Molecular Mechanical Methods, Rui Lai

Student Research Projects, Dissertations, and Theses - Chemistry Department

Compromising of computational cost and accuracy, combined quantum mechanical and molecular mechanical (QM/MM) methods are practical methods for studying large molecular systems. The use of induced dipole polarizable force fields can significantly improve the accuracy of MM and QM/MM methods. However, induced dipole models tend to overestimate the polarization energy at short interaction distances. Damping functions can be applied to reduce the over polarization. MM-MM damping schemes have been developed to correct the overestimated polarization between MM atoms; QM-MM damping scheme has not been developed. In this thesis, a QM-MM damping scheme is developed for the damping of ...


The Detection Of Peroxynitrite Using 19f Magnetic Resonance Probes, Kevin Bruemmer 2014 Southern Methodist University

The Detection Of Peroxynitrite Using 19f Magnetic Resonance Probes, Kevin Bruemmer

Engaged Learning Collection

The following report presents the work done by Kevin Bruemmer for his Engaged Learning project. The 19F magnetic resonance probes 5-uoroisatin and 6-uoroisatin were reacted with ONOO- to yield anthranilic acid derivatives through a novel oxidative decarbonyaltion reaction. Utilizing 19F NMR spectroscopy techniques, the presence of ONOO- can be determined through a chemical shift switching signal. 5-uoroisatin was subsequently used to detect ONOO- in living lung epithelial cells.


Synthesis Of Hydrogenated Thiol-Silanes For Selective Reactions, Macartney Welborn 2014 Southern Methodist University

Synthesis Of Hydrogenated Thiol-Silanes For Selective Reactions, Macartney Welborn

Engaged Learning Collection

The intention of this experiment is to show the creation of multifunctional thiols from the reaction between various hydrochlorosilanes and mercaptoethanol in an attempt to utilize their distinct properties for practical applications. Multifunctional thiols have many useful applications including use in high-refractive-index lenses, 1 heavy metal chelation, 2 and degradable plastics3. Previous work, 5 in our lab has explored a class of reactions key to the synthesis of these compounds: the reaction between methylated chlorosilanes with mercaptoalcohols. We extended this reaction to include hydrogenated chlorosilanes. This allows us to produce multifunctional thiols with an additional functionalizable position at the ...


Evolution Of Acyl-Substrate Recognition By A Family Of Acyl-Homoserine Lactone Synthases, Quin H. Christensen, Ryan M. Brecht, Dastagiri Dudekula, E. Peter Greenberg, Rajesh Nagarajan 2014 Boise State University

Evolution Of Acyl-Substrate Recognition By A Family Of Acyl-Homoserine Lactone Synthases, Quin H. Christensen, Ryan M. Brecht, Dastagiri Dudekula, E. Peter Greenberg, Rajesh Nagarajan

Chemistry Faculty Publications and Presentations

Members of the LuxI protein family catalyze synthesis of acyl-homoserine lactone (acyl-HSL) quorum sensing signals from S-adenosyl-L-methionine and an acyl thioester. Some LuxI family members prefer acyl-CoA, and others prefer acyl-acyl carrier protein (ACP) as the acyl-thioester substrate. We sought to understand the evolutionary history and mechanisms mediating this substrate preference. Our phylogenetic and motif analysis of the LuxI acyl-HSL synthase family indicates that the acyl-CoA-utilizing enzymes evolved from an acyl-ACP-utilizing ancestor. To further understand how acyl-ACPs and acyl-CoAs are recognized by acyl-HSL synthases we studied BmaI1, an octanoyl-ACP-dependent LuxI family member from Burkholderia mallei, and BjaI, an isovaleryl-CoA-dependent ...


Diffusion And Adsorption Coefficients Of Aromatic Hydrocarbons In Gas Chromatography Capillary Columns, Gabriela Navarro Tovar 2014 Western University

Diffusion And Adsorption Coefficients Of Aromatic Hydrocarbons In Gas Chromatography Capillary Columns, Gabriela Navarro Tovar

University of Western Ontario - Electronic Thesis and Dissertation Repository

This study focuses on a mathematical description of aromatic species elution peaks from a gas chromatographic BPX5 capillary column. Using the chromatographic peaks, statistical moments are calculated for toluene, naphthalene, phenol and 2-naphthol. This thesis reports two modelling approaches involving laminar gas flow, distribution coefficients (Ks) and diffusion coefficients in the stationary phase (Ds).

Firstly, a model with equilibrium adsorption is considered to describe symmetric peaks for toluene and naphthalene. Moreover, a model with non-equilibrium adsorption is proposed to describe asymmetric peaks of phenol and 2-napthol. In addition to the Ks and Ds parameters, this model ...


The Development Of A Valid And Reliable Biogeochemistry Concept Inventory, Chris Mead 2014 University of Nebraska - Lincoln

The Development Of A Valid And Reliable Biogeochemistry Concept Inventory, Chris Mead

DBER Speaker Series

Concept inventories are a commonly used tool to measure conceptual understanding. To date, concept inventories have been published for geology, chemistry, and biology, but no instrument has been designed to measure conceptual understanding at the intersection of those fields. To fill that gap, we constructed a 32‐item biogeochemistry concept inventory (BGC‐CI). Item response theory analysis, using the Rasch model, shows the BGC‐CI is a reliable and valid tool to measure the biogeochemistry knowledge of science majors. Because biogeochemistry is an interdisciplinary field, we were concerned about the unidimensionality of the instrument. However, our analysis showed the BGC ...


Photoelectrochemical Water-Splitting Ancillary Components, Robert A. Allen, Todd G. Deutsch 2014 DePauw University

Photoelectrochemical Water-Splitting Ancillary Components, Robert A. Allen, Todd G. Deutsch

Science Research Fellows Posters

No abstract provided.


Dynamical Behavior Of Probe Molecules And Dominant Role Of Cosurfactants In Reverse Micelles, Jia QI, Bridget L. Gourley 2014 DePauw University

Dynamical Behavior Of Probe Molecules And Dominant Role Of Cosurfactants In Reverse Micelles, Jia Qi, Bridget L. Gourley

Science Research Fellows Posters

Reverse micelles (RM) are nanopools of water surrounded by surfactant molecules in a non-polar solvent. Our studies investigated properties of RM probe molecules in the interfacial boundary between water and non-polar solvents. Reichardt’s dye, a probe molecule, was used to uncover properties of RM. UV/vis spectroscopy of Reichardt’s dye reveals information about polarity and the dye’s approximate residential location and also helps confirm molecular orbital energy diagram. We discovered an interesting phenomenon with Reichardt’s dye in RM. Surprisingly, the UV/vis spectrum of Reicahrdt’s dye in CTAB RM with octanol as a cosurfactant exhibits ...


Probe Location Within Interfacial Layer Of Ctab Reverse Micelle System, Jonathan Li, Bridget L. Gourley 2014 DePauw University

Probe Location Within Interfacial Layer Of Ctab Reverse Micelle System, Jonathan Li, Bridget L. Gourley

Science Research Fellows Posters

To understand the chemistry of the interfacial region of reverse micelles (RM), we studied RM system made with the cationic surfactant cetyltrimethylammonium bromide (CTAB), alkanol cosurfactants dissolved in cyclohexane with water core. Spectroscopic methods, specifically UV-Vis absorption of Coumarin 343 (C343) as a probe molecule, were used to determine basic properties of RM systems. However, the probe location was difficult to determine because the spectrum (absorbance), when dissolved in RM solution, didn’t match the spectra in any of the pure components. Our data suggests that the interfacial layer of RM cannot be thought of behaving only the characteristic of ...


Influence Of Microgel Packing On Raspberry-Like Heteroaggregate Assembly, Shalini Saxena, L. Andrew Lyon 2014 Chapman University

Influence Of Microgel Packing On Raspberry-Like Heteroaggregate Assembly, Shalini Saxena, L. Andrew Lyon

School of Earth and Environmental Science Faculty Articles and Research

We describe the influence of microgel packing on colloidal-phase mediated heteroaggregation using poly(N-isopropylacrylamide) and poly(N-isopropylmethacrylamide) microgels with 1% mol or 5% mol N,N’-methylenebis(acrylamide) cross-linker. This system is uniquely designed to interrogate the influence of microgel structure and stiffness on microgel deformation at a curved interface by elminating the necessity of electrostatic charge pairing. Microgel monomer and cross-linker content is expected to influence deformation at a curved interface. Microgel deformation and swelling were characterized via atomic force microscopy (AFM) and viscometry. A systematic study of colloidal-phase heteroaggregation was performed at varied effective volume fractions ...


Hydrolytically Stable Analogues Of Sugar Phosphates And A Miniaturized In Situ Enzymatic Screen, Xiang Fei 2014 University of Nebraska - Lincoln

Hydrolytically Stable Analogues Of Sugar Phosphates And A Miniaturized In Situ Enzymatic Screen, Xiang Fei

Student Research Projects, Dissertations, and Theses - Chemistry Department

The glmS riboswitch undergoes self-cleavage upon binding its metabolic product GlcN6P, thereby providing a negative feedback mechanism limiting translation of the glmS protein when GlcN6P is abundant. As a first step toward the development of novel antimicrobials, we have synthesized a series of GlcN6P analogues bearing phosphatase-inert surrogates in place of the natural phosphate ester functionality. The self-cleavage assay identified two such compounds that display significant riboswitch actuator activity; namely those bearing a 6-phosphonomethyl group or a 6-O-malonyl ether. These two analogues exhibit a 22-fold and a 27-fold higher catalytic efficiency, respectively, than does glucosamine. Docking experiments were ...


Cross-Disciplinary Sciences At Gettysburg College: Second Annual Poster Presentation, X-SIG 2014 Gettysburg College

Cross-Disciplinary Sciences At Gettysburg College: Second Annual Poster Presentation, X-Sig

Student Publications

This booklet includes Biology student presentations by: Taylor Bury, Abigail Dworkin-Brodsky, Mary Pearce, Jasper Leavitt, Morgan Panzer, Ellen Petley, Kalli Qutub, Taylor Randell, Samantha Eck, Lana McDowell, Jenn Soroka, Celina Harris, Natalie Tanke, Alexandra Turano, and Caroline Garliss.

This booklet includes Biochemistry & Molecular Biology student presentations by: Matthew Dunworth, Andrew Sydenstricker, Brianne Tomko, Albert Vill, Warren Campbell, David Van Doren, Kevin Mrugalski, Stacey Heaver, Alecia Achimovich, and Katherine Boas.

This booklet includes Chemistry student presentations by: Kristen Baker, Laura Lee, Kathryn Fodale, Daniel Ruff, Michael Counihan, Ida DiMucci, Joshua Sgroi, Celina Harris, and Natalie Tanke.

This booklet include Health Science ...


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