Other Chemistry Commons^™

Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong

The International Student Science Fair 2018

Lithium ion batteries (LIBs) are commonly found in many portable electronic appliances due to their ability to be rechargeable. Currently, commercial anodes in Li-ion batteries (graphite) have a theoretical capacity of around 372 mAh/g, while FeCo2O4 that will be investigated as the anode material has a theoretical capacity of 901.985mAh/g, more than double of the current commercial anode’s capacity. Earlier work done by Sharma et al also showed that FeCo2O4 has a very promising initial capacity of 827mAh/g. As such, the engineering goal is to produce a battery that will have a higher capacity than ...

Feco2o4 As An Anode Material For Lithium Ion Batteries, Chelsea Wong

The International Student Science Fair 2018

Lithium ion batteries (LIBs) are commonly found in many portable electronic appliances due to their ability to be rechargeable. Currently, commercial anodes in Li-ion batteries (graphite) have a theoretical capacity of around 372 mAh/g, while FeCo2O4 that will be investigated as the anode material has a theoretical capacity of 901.985mAh/g, more than double of the current commercial anode’s capacity. Earlier work done by Sharma et al also showed that FeCo2O4 has a very promising initial capacity of 827mAh/g. As such, the engineering goal is to produce a battery that will have a higher capacity than ...

Desalination Concentrate Disposal: Ecological Effects And Sustainable Solutions, Ryan Hanley

Global Honors Theses

Freshwater availability is a growing global concern, and desalination is often presented as the solution, but from this important technology comes issues of toxic waste. Ecosystems are delicate areas that contain species adapted to that specific location, and any chemical or physical changes can disrupt the fitness of species. The concentrate byproduct waste from desalination plants is toxic to species if the concentrate is not compatible with the receiving water body. A critical review of scientific articles, industry-leading books, conversations with industry experts, and information from the American Membrane Technology Association conference was used to analyze the current knowledge. Species ...

Analysis Of Metallic Components Of Gsr From Various Types Of Ammunition And Firearms Utilizing An Sem-Edx, Jenna A. Campbell

Graduate Student Research Symposium

Gunshot residue (GSR) is a chemical reaction that occurs when a firearm is discharged, which emits a cloud of gases from the barrel of the gun. It consists of both the burned and unburned propellant and primer components. These components are either organic or inorganic in nature, respectively. The organic components are located in the gunpowder part of the bullet, while the inorganic components are located in the primer part of the bullet. The primer consists of lead, barium, and antimony. These elements are considered heavy metals. Additionally, lead, barium, and antimony are the three key elements found in the ...

Fast Identification Of Components Commonly Used In Homemade Explosives By Spectroscopic And Chemometric Methods, Deidre Day Vandenbos, Huggins Msimanga, Christopher Dockery

Master of Science in Chemical Sciences Theses

Homemade explosives (HMEs) have become a global pandemic. This forensic research focuses on developing identification methods that can provide quick, cost effective, non-destructive analysis using portable instrumentation. These capabilities would be invaluable to first responders, military, and security officials to establish an evidentiary link between a suspect and a reference in cases of HMEs, IEDs, arson and environmental contamination.

Modern methods for quick identification of the fuels and oxidant sources used in manufacturing HMEs, include Fourier Transform Infrared (FT-IR) and Raman spectroscopy. Visual confirmation alone, however, is not strong enough to discriminate chemicals with nearly identical spectra, which occurs when ...

Size Exclusion Chromatography Based Liposomal Protein Extraction (Selpe), Carolyn Barnes

University of Tennessee Honors Thesis Projects

No abstract provided.

Elemental Analysis Of Beer Manufactured In Virginia Satellite Breweries, Jennifer Wiliams

Student Scholar Showcase

Financial incentives from the state and wider distribution potential have lured many west coast brewers to open satellite breweries in Virginia. Quality control is crucial for any brewery and especially important in satellite breweries that need to imitate the standard set by the parent brewery. Zinc, magnesium, iron, sodium manganese, and calcium are trace elements found in wort and are essential for enzymes that catalyze fermentation reactions. These elements protect against cell stress, play a crucial role in flocculation, and can affect the flavoring and coloration of beer. Barley, water, and hops are the sources of these elements in beer ...

Metacognition And The Utility Of Pathway Maps In Introductory Chemistry, Kayla Schwartz

Honors Projects

Students historically struggle in introductory chemistry courses. This experiment was designed to test a hypothesized method to increase student success which utilized metacognition, reflection, and the creation of pathway maps. An introductory chemistry course at BGSU was given two sets of pre-assignments, pathway map assignments, and post-assignments which was related to the topics they were learning in class. The pre-assignments and post-assignments were used to determine if there was a change in understanding before and after the pathway map assignment was completed and the pathway map assignment was based on a question that was given in the pre-assignment. The students ...

Secondary Electronic And Solvent Effects On Regiospecific P-Bromination Of Aromatic Systems, Selahaddin Gumus

Masters Theses & Specialist Projects

Bromoarenes are important aromatic building blocks that are commonly used to synthesize various functional compounds in pharmaceutical, agrochemical and related industries.^1,2 This great demand for bromoarenes makes their preparation a widely studied area of synthetic organic chemistry. However, further understanding of the reactivity and regiochemistry of aromatic functionalization reactions is still necessary, as much about the secondary substitution and solvent effects remain unknown.

Resonance Theory is a widely used theoretical model to predict the regiospecifity and reactivity of the bromination of various aromatic compounds.³ The reactivity and regiospecificity of many substituted aromatic compounds is well explained using ...

A High Throughput Approach For The Generation Of Orthogonally Interacting Protein Pairs, Justin Lawrie, Xi Song, Wei Niu, Jiantao Guo

Faculty Publications -- Chemistry Department

In contrast to the nearly error-free self-assembly of protein architectures in nature, artificial assembly of protein complexes with pre-defined structure and function in vitro is still challenging. To mimic nature’s strategy to construct pre-defined three-dimensional protein architectures, highly specific proteinprotein interacting pairs are needed. Here we report an effort to create an orthogonally interacting protein pair from its parental pair using a bacteria-based in vivo directed evolution strategy. This high throughput approach features a combination of a negative and a positive selection. The newly developed negative selection from this work was used to remove any protein mutants that retain ...

Polar Ozone Depletion: Mario J. Molina, Kirsten Oberg

Natural Sciences Poster Sessions

This poster for the Natural Sciences Poster Session at Parkland College features the contribution of Mario J. Molina to the field of atmospheric chemistry, especially in regards to the formation and decomposition aspects of the ozone layer.

Chemists Atwitter, Raychelle Burks, Stephani Page, Kiyomi D. Deards, Joan Barnes

Faculty Publications, UNL Libraries

Twitter can be used to promote chemists, their work, and their events to other scientists and the general public. From checklists to timelines; how to use Twitter successfully as an individual or institution is discussed. This chapter includes: examples of how the authors have used Twitter, how to find and use common subject tags, tags most used when Tweeting about chemistry and science, and a discussion about measuring success. Knowing when and how to Tweet will help chemists communicate successfully with their peers and the general public in 280 characters or less.

Crystallographic,Vibrational Modes And Optical Properties Data Of Α-Dipabcrystal, Ahmad Alsaad, Chris M. Marin, Nabil Alaqtash, Hsien-Wen Chao, Tsun-Hsu Chang, Chin Li Cheung, A. Ahmad, I. A. Qattan, Renat F. Sabirianov

Faculty Publications -- Chemistry Department

The Crystallographic data of the α-DIPAB sample was measured using powder X-ray diffraction (PXRD). The crystal structure was also optimized using density functional based method. The calculations were performed both including vander Waals (vdW) interactions and excluding them to quantify the effects of vdW interaction on the crystal formation. The vibrational modes of DIPAB crystal corresponding to the Bromine deficient samples are calculated and presented. These show the origin of drastic change in dielectric response in Br deficient samples as compared to the ideal stoichiometric DIPAB crystal (Alsaad et al. 2018) [4]. Optical properties of an ideal α-DIPAB were calculated ...

Toward The Detection Of The Triatomic Negative Ion Spn−: Spectroscopy And Potential Energy Surfaces, Tarek Trabelsi, Majdi Hochlaf, Joseph S. Francisco

Faculty Publications -- Chemistry Department

High level theoretical calculations using coupled-cluster theory were performed to provide an accurate description of the electronic structure, spectroscopic properties, and stability of the triatomic negative ion comprising S, N, and P. The adiabatic electron affinities (AEAs) and vertical detachment energies

(VDEs) of PNS, SPN, PSN, and cyc-PSN were calculated. The predicted AEA and VDE of the linear SPN isomer are large: 2.24 and 3.04 eV, respectively. The potential energy surfaces (PESs) of the lowest-lying electronic states of the SPN isomer along the PN and SP bond lengths and bond angle were mapped. A set of spectroscopic ...

Characterization Of Solution-Phase Drug-Protein Interactions By Ultrafast Affinity Extraction, Sandya Beeram, Xiwei Zheng, Kyungah Suh, David S. Hage

Faculty Publications -- Chemistry Department

A number of tools based on high-performance affinity separations have been developed for studying drug-protein interactions. An example of one recent approach is ultrafast affinity extraction. This method has been employed to examine the free (or non-bound) fractions of drugs and other solutes in simple or complex samples that contain soluble binding agents. These free fractions have also been used to determine the binding constants and rate constants for the interactions of drugs with these soluble agents. This report describes the general principles of ultrafast affinity extraction and the experimental conditions under which it can be used to characterize such ...

Elastic Properties Of 2d Ti3c2tx Mxene Monolayers And Bilayers, Alexey Lipatov, Haidong Lu, Mohamed Alhabeb, Babak Anasori, Alexei Gruverman, Yury Gogotsi, Alexander Sinitskii

Faculty Publications -- Chemistry Department

Two-dimensional (2D) transition metal carbides and nitrides, known as MXenes, are a large class of materials that are finding numerous applications ranging from energy storage and electromagnetic interference shielding to water purification and antibacterial coatings. Yet, despite the fact thatmore than 20 different MXenes have been synthesized, the mechanical properties of a MXene monolayer have not been experimentally studied. We measured the elastic properties of monolayers and bilayers of the most important MXene material to date, Ti₃C₂T_x (T_x stands for surface termination).We developed amethod for preparingwell-strainedmembranes of Ti₃C₂T_{x ...}

Gas-Surface Interactions: Reactive And Non-Reactive Scattering, Azar Farjamnia

Doctoral Dissertations

The adsorption and dissociation of small molecules on metal surfaces are key steps in many industrial reactions. A detailed understanding of the dynamics of these reactions provides us with the ability to control the outcome and efficacy of the reactions. The molecule-metal interactions will lead to reorientation, energy redistribution, or bond dissociation in the molecule. The process is strongly depending upon the initial conditions, i. e. the incident energy and vibrational state of the molecule, and the surface temperature. We use a fully quantum approach to compute the dissociative sticking probability of the molecules at zero overage, on the surface ...

Modification Of Wheat Gluten For Improvement Of Binding Capacity With Keratin In Hair, Shukun Wang, Danyang Meng, Sisi Wang, Zhong Zhang, Ruijin Yang, Wei Zhao

Faculty Publications in Food Science and Technology

In this study, enzymatic hydrolysis and cationization with epoxypropyldodecyldimethylammonium chloride of wheat protein, an economic protein complex containing great amount of disulfide bonds, were conducted to improve properties such as solubility and disassociation behaviour for recovery of damaged hair when used in shampoo. The optimal conditions for enzymatic hydrolysis were pH 8.2, 55°C with Alcalase for 60min. After the selected hydrolysis, the degree of hydrolysis, nitrogen solubility index, foaming capacity index, foam stability index, emulsifying activity index and emulsion stability index of hydrolysate with 58.71% of shortchain peptides (less than 1000 Da) were 8.81%, 39.07 ...

Microstructural Changes To Proso Millet Protein Bodies Upon Cooking And Digestion, Paridhi Gulati, You Zhou, Christian Elowsky, Devin J. Rose

Faculty Publications in Food Science and Technology

Cooking results in a drastic decline in digestibility of proso millet proteins, panicins. Scanning electron and confocal microscopy were used to observe morphological changes in proso millet protein bodies upon cooking and digestion that could be associated with the loss in digestibility. Spherical protein bodies (1–2.5 mm) were observed in proso millet flour and extracted protein. Cooking did not result in any noticeable change in the size or shape of the protein bodies. However, upon digestion with pepsin the poor digestibility of cooked proso millet protein was clearly evident from the differences in microstructure of the protein bodies ...

Eigenstate–Specific Temperatures In Two–Level Paramagnetic Spin Lattices, Mark Masthay, Calley N. Eads, Amber N. Johnson, R. Gerald Keil, Phillip Miller, Ross E. Jones, Joe D. Mashburn, Harry B. Fannin

Chemistry Faculty Publications

Increasing interest in the thermodynamics of small and/or isolated systems, in combination with recent observations of negative temperatures of atoms in ultracold optical lattices, has stimulated the need for estimating the conventional, canonical temperature Tconvc of systems in equilibrium with heat baths using eigenstate-specific temperatures (ESTs). Four distinct ESTs—continuous canonical, discrete canonical, continuous microcanonical, and discrete microcanonical—are accordingly derived for two-level paramagnetic spin lattices (PSLs) in external magnetic fields. At large N, the four ESTs are intensive, equal to Tconvc, and obey all four laws of thermodynamics. In contrast, for N < 1000, the ESTs of most PSL eigenstates are non-intensive, differ from Tconvc, and violate each of the thermodynamic laws. Hence, in spite of their similarities to Tconvc at large N, the ESTs are not ...