Chemistry Commons^™

Spectroscopic And Computational Studies Of The Agricultural Active Ingredient Dicamba, James Johnson

Honors Theses

3,6-dichloro-2-methoxy benzoic acid, more commonly known as Dicamba, is the active ingredient in an array of pesticides used on farmlands across the globe. Dicamba’s mode of action works by mimicking the plant hormone auxin, which is synonymous to growth hormones in mammals. The mimicking of auxin results in excessive elongation and growing, which is eventually fatal for plants when the rate of growth can no longer be sustained. Dicamba has risen in prominence in recent years due to drift damage as a result of Dicamba’s high volatility. Having the ability to identify Dicamba is crucial for the ...

Surface Chemistry And Surface Properties Of Energetic Nitrocellulose (Nc), Henry Grau

Seton Hall University Dissertations and Theses (ETDs)

This research describes an investigation into the wettability of nitrocellulose (NC), most importantly to nitroglycerin (NG), which are key components of formulations used to propel military ammunition. NG demonstrates complete wetting of NC and, overtime, NG sweats on the NC surface and leaks out. The leaking out of NG from the solid formulation is a known cause of fires and explosions resulting from storage. The origin of this research is inspired by the need to engineer a solution to leakage problems of energetic plasticizer in NC based propellant. While searching for a viable material for a specific application, we journeyed ...

Optimization Of The Mechanochemical Synthesis Of Several Distinct Compounds., Joseph Ryan Williams

Honors College Theses

Mechanochemical synthesis, as used in this work, is the mechanical milling of reagents to drive reaction. It is often considered a greener alternative to traditional solution-based methods of synthesis. This work will describe the mechanochemical synthesis of furan-2-yl(pyrrolidin-1-yl)methanethione and N-hexadecylfuran-2-carbothioamide, the optimization of the mechanochemical synthesis of 1,3-dibenzylbenzimidazolium bromide as well as the kinetics of this reaction, and finally the ongoing development of the mechanochemical synthesis of N,N′-dioctyl-2,2′-bipyridine-4,4′-dicarboxamide.

This work studied both the traditional method and mechanochemical method for synthesis of furan-2-yl(pyrrolidin-1-yl)methanethione, as well as the mechanochemical method ...

Synthesis And Radical Scavenging Activity Of Chromene-Hydrazone Hybrids, Andrew Ressler

Senior Scholars Day

Oxidative stress results from an overabundance of reactive oxygen species in the body, including free radicals, that can damage cells and DNA. Due to the increasing prevalence of oxidative stress-based diseases, such as cardiovascular disease, inflammation, dermatitis, and cancer, there is a growing need for the development of new antioxidants. In this study, sixteen hybrid molecules containing two known antioxidant moieties, hydroxy chromene and hydrazone, were synthesized and evaluated for free radical scavenging activity. Synthesis of the chromene hydrazones was achieved in two steps: 1) base-promoted chromenylation of 2,4-dihydroxybenzaldehyde with 3-methylbutenal to yield 2H-2,2-dimethyl-5-hydroxy-6-formylchromene, and 2) condensation of ...

Chemical Composition And Source Regions Of Dry Deposition, Rudi Randall

Senior Scholars Day

Air pollutants, such as nitrate, sulfate, and ammonia, can negatively affect the environment and human health. Pollutants can be removed from the atmosphere through dry deposition, in which dry particles and gases contact the ground directly, or wet deposition, in which particles and gases interact with precipitation before reaching the ground. Despite there being two ways particles and gases can be removed from the atmosphere, wet deposition has been studied more routinely and comprehensively than dry deposition. In this research, dry deposition to surfaces covered by dew or frost was examined for its chemical makeup (including cations, anions, and organic ...

N-Heterocyclic Carbene Ligated Group 11 Trimethylsilylchalcogenolates: Building Blocks For Heterometallic Chalcogenide Molecules, Dickron Richard Nahhas

Electronic Thesis and Dissertation Repository

The synthesis of heterometallic chalcogenide molecules requires the continued investigation into the appropriate reagents necessary to introduce metal – chalcogen bonds in a controlled fashion. Trimethylsilyl metallochalcogenolates (MESiMe₃) act as synthons introducing “ME^–“ in solution upon reacting with an appropriate ternary metal reagent, MX (X= halide, acetate, etc.). Recent work makes use of N–heterocyclic carbenes (NHCs) as a class of ancillary ligand that can stabilize these reagents and the heterometallic chalcogenide molecules obtained with them. Building on previous work, this thesis describes the synthesis of group 11 trimethylsilyl metallochalcogenolates stabilized by bis–1,3–tritylimidazole–2–ylidene (abbreviated ITr ...

An Innovative "Green" Suzuki Coupling Reaction For The Crl-232 Lab, James W. Wheeler, David Dehm

Chemistry Student Work

A major objective of “Green Chemistry” is to provide a more modern chemical experience in the laboratory along with reducing the amount of waste generated and make the lab safer for our students. The latest effort is the continuance to update the chemical reactions in the DHE 232 Organic Chemistry Lab by employing a “water-based” Suzuki Coupling Reaction. The 2010 Nobel prize was awarded to Heck, Negishi, and Suzuki for the palladium-catalyzed cross coupling reaction. This reaction has gained wide acceptance in industry where it is used in large scale reactions to make drugs (naproxen, 5-HT1a Agonist), agricultural chemicals (Boscalid ...

Synthesis And Characterization Of Bay-Annulated Indigo Derivatives As Ligands For Photoactive Metal Complexes, Jacob Mayer, Denise Femia

HON499 projects

Synthesis and Characterization of Bay-Annulated Indigo Derivatives as Ligands for Photoactive Metal Complexes

Jacob Mayer¹, Denise Femia¹

1. La Salle University, Department of Chemistry and Biochemistry

Indigo-based chromophores are of interest for organic photovoltaics due to their light absorption properties and tunability. Indigo exhibits a high molar extinction coefficient which allows for a small amount of material to absorb a large amount of energy. Research in organic photovoltaics is important for the development of alternative sources of energy. Unlike traditional silicon photovoltaics, synthetic modifications can be made to indigo to alter its excited state lifetime, absorption, and energy ...

An Investigation Into The Molecular Dynamics Of The Laser Induced Dissociation Of 2-Bromoethanol, Kirk French

Senior Honors Theses

The unimolecular dissociation of 2-bromoethanol is investigated using computational chemistry methods both to test the reliability of the theories and methods of computational chemistry and to explore the internal mechanism of the dissociation. The dissociation of the bromine ion from 2-bromoethanol was experimentally observed in a previous publication by Ratliff et. al. These experimental results were compared in this thesis to computational calculations of their research. The method of TD-B3LYP proved to be inadequate in this venture except for the lowest energies of the most stable conformer of 2-bromoethanol. However, interesting mechanisms were found such as the formation of HBr ...

Chem 403: Analysis Of Arsenic In Wine Using Xrf, Hannah Meyls

Student Showcase for Research and Creative Inquiry

Arsenic contamination in food and beverages is a problem due to the harm it can cause consumers. Currently in the United States there is no regulation limit. Red, white, and pink wines will be analyzed for their concentration of inorganic arsenic. Analysis of the wines will be analyzed by x-ray fluorescence spectroscopy (XRF). From this experiment we hope to develop a new method for measuring low concentrations of arsenic in wine.

385— Optimizing Nitrogen Concentrations To Maximize Lipid Yields For Biodiesel Production, Wady Jacoby, Daria Zhogina, Pavel Ananev, Lauren Saggese, Max Muller, Barnabas Gikonyo

GREAT Day

Select subspecies of microalgae are considered to be the most promising candidates for third generation renewable resources of biodiesel. Algae not only ingest excess carbon emissions from the atmosphere, they also convert it into energy-dense lipids which can be harvested, and then transformed into biodiesel. However, before the fuel industry can adopt algae farming as a realistic alternative to fossil fuels, the process of harvesting algal lipids must be optimized further. Our research aims to make algal lipid extraction more realistic by determining the ideal growing conditions of the algae species Chlorella Vulgaris. Our research this semester focused on two ...

295— Biomimicry: Investigating The Active Site Model Of Lactate Racemase, Stephanie Podguski, Maisy Ross

GREAT Day

Because of humans’ heavy impact on nature with industrialization and resource extraction, biomimetics, also known as biomimicry, is a study that has emerged. Biomimetics utilizes observations from nature to comprehend the principles of underlying mechanisms and apply concepts that may benefit science, medicine, engineering and the like. An area of biochemistry we are applying this to is the lactate racemase enzyme.This metalloenzyme is found in many prokaryotic organisms and catalyzes the interconversion between the two optical isomers of lactic acid. The structure of this enzyme consists of a square-planar nickel (II) ion coordinated by a histidine residue and a ...

174— Developing Oxidation Of Alcohols In Sand, John Lepore, Stephanie Alvarez Merlos, Katelynn Dux, Theresa Lam

GREAT Day

We present the oxidation of alcohols into aldehydes and ketones using (NH4)2Cr2O7 in sand. Several alcohols undergo oxidation using an appropriate solvent to afford aldehyde and ketones in good yields. The reactions were analyzed by TLC, 1H and 13C-NMR. The developed reaction is also compared to reactions done using silica gel.

154— Alfalfa Hay As Non-Human Feedstock For Second Generation Biofuels: Hope Or Hoax? Part Ii, Arianna Soriano, Sofia Kostrinsky, Barnabas Gikonyo

GREAT Day

The excessive use of fossil fuels has negatively impacted the environment because of greenhouse gas emissions. Researchers are now searching for ways to counterbalance the damage which has been done to the Earth after centuries of greenhouse gas emissions. Potential alternatives to fossil fuels include biofuels, an overlooked and cost-effective source of energy. Many efforts have been focused on the production of first-generation biofuels, fuels attained from human food sources, such as corn. First-generation biofuels have been linked to the increase in food prices, which is a problem because it negatively impacts many developing countries. Our research is geared towards ...

324— Synthesis Of Alternative Fuels Using Bimetallic Hydrogen Activation For Clean Energy, Olivia Schoenfeld, Jayesh Patil

GREAT Day

Our project aims to develop catalysts for the conversion of hydrogen gas to carbon-based liquid fuels with high energy density. Our approach involves bimetallic catalysts, supported by bifunctional ligands, which have the potential to break the symmetry of the hydrogen molecule. Oxidative addition of hydrogen across a metal-metal bond is expected to produce a metal hydride complex featuring both a hydridic metal hydride and an acidic metal hydride. We anticipate metal dihydrides of this nature will be poised for the hydrogenation of a carbon source such as carbon dioxide. Here we report the synthesis and NMR characterization of key bifunctional ...

Volume 12, Haleigh James, Hannah Meyls, Hope Irvin, Megan E. Hlavaty, Samara L. Gall, Austin J. Funk, Karyn Keane, Sarah Ghali, Antonio Harvey, Andrew Jones, Rachel Hazelwood, Madison Schmitz, Marija Venta, Haley Tebo, Jeremiah Gilmer, Bridget Dunn, Benjamin Sullivan, Mckenzie Johnson

Incite: The Journal of Undergraduate Scholarship

Introduction, Dr. Roger A. Byrne, Dean

From the Editor, Dr. Larissa "Kat" Tracy

From the Designers, Rachel English, Rachel Hanson

Immortality in the Mortal World: Otherworldly Intervention in "Lanval" and "The Wife of Bath's Tale" by Haleigh James

Analysis of Phenolic Compounds in Moroccan Olive Oils by HPLC by Hannah Meyls

Art by Hope Irvin

The Effects of Cell Phone Use on Gameplay Enjoyment and Frustration by Megan E. Hlavaty, Samara L. Gall, and Austin J. Funk

Care, No Matter What: Planned Parenthood's Use of Organizational Rhetoric to Expand its Reputation by Karyn Keane

Analysis of Petroleum Products ...

354— Observation Of Acid Penetration Of Nano-Gold Doped Sol-Gel System, Mir Ali, Eric Koessler

GREAT Day

The penetration of the acid into gold doped sol-gel material was measured. The acid penetration speed increased as the nano size increased up from 5 nm to 20 nm. Then there was almost no penetration at 60 nm. The nano dependent rate change was complex and needs to be investigated further. Also, recent new methodology to create the gel showed a significance stability and it took more than a few days to complete the penetration.

183— Cannabis Sativa: Pretreatment And Fiber Content Analysis, Dina Bú, Arianna Soriano, Sofia Kostrinsky, Sarah Schmidlin, Barnabas Gikonyo

GREAT Day

Cannabis Sativa commonly known as hemp, is one of the fastest growing plants whose refined products have immense commercial value. Refined hemp is included in various products: biofuels, biodegradable plastics, textiles, dietary supplements, paper, clothing and much more. Hemp fibers are also used in construction and manufacturing applications as a way to strengthen composite products. These qualities make hemp a high yielding, sustainable, and environmentally friendly crop with the potential to yield valuable raw materials for a large number of applications. Our research evaluates the pretreatment of hemp and the comparative analysis of the fiber content thereof. Our goal is ...

Analysis Of Petroleum Products For Forensic And Environmental Applications, Sarah Ghali, Sarah Porter

Student Showcase for Research and Creative Inquiry

In both forensic and environmental applications, it is often important to identify ignitable liquid (IL) residues, to find a suspect or to clean up an oil spill. The ASTM method is commonly used; the extraction methods vary, but the data collection is the same. The instrument used in the ASTM method is gas chromatography mass spectroscopy (GC-MS), which allows a visual identification of the IL contaminating the sample. In this study, the use of Fourier transform infrared spectrometry (FTIR) was used in conjunction with chemometric analysis. Samples were prepared were to simulate an oil spill in natural waters. Two chemometric ...

Analysis Of Phenolic Compounds In Moroccan Olive Oils By Hplc, Hannah Meyls, Sarah Porter

Student Showcase for Research and Creative Inquiry

Five extra virgin olive oils collected from farms in Morocco were analyzed for phenolic compounds. To complement these data, the chemical composition of the olive oils were analyzed by high-performance liquid chromatography. Several phenolic compounds were identified and quantified in the olive oils. Specifically, levels of oleuropein and luteolin were quantified in the low mg/kg range, and qualitative comparisons were made between the oil samples for tyrosol, vanillic acid, and apigenin. To compare extraction efficiency of different extraction solvents, methanol and DMF were used.