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Calcium Bistriflimide-Mediated Sulfur(Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, Nicholas D. Ball, O. Maduka Ogba 2022 Chapman University

Calcium Bistriflimide-Mediated Sulfur(Vi)–Fluoride Exchange (Sufex): Mechanistic Insights Toward Instigating Catalysis, Brian Han, Samuel R. Khasnavis, Matthew Nwerem, Michael Bertagna, Nicholas D. Ball, O. Maduka Ogba

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

We report a mechanistic investigation of calcium bistriflimide-mediated sulfur(VI)–fluoride exchange (SuFEx) between sulfonyl fluorides and amines. We determine the likely pre-activation resting state─a calcium bistriflimide complex with ligated amines─thus allowing for corroborated calculation of the SuFEx activation barrier at ∼21 kcal/mol, compared to 21.5 ± 0.14 kcal/mol derived via kinetics experiments. Transition state analysis revealed: (1) a two-point calcium-substrate contact that activates the sulfur(VI) center and stabilizes the leaving fluoride and (2) a 1,4-diazabicyclo[2.2.2]octane additive that provides Brønsted-base activation of the nucleophilic amine. Stable Ca–F complexes ...


Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez 2022 University of Arkansas, Fayetteville

Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez

Chemical Engineering Undergraduate Honors Theses

Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.

In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The ...


Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer 2022 Clemson University

Valorization Of Biopolymers And Biomass To Produce Materials For A More Circular Economy, Moira Lauer

All Dissertations

With a globally increasing population and largely unchecked consumption of raw materials, human society is on track for devastating consequences. Two industries responsible for utilizing massive amounts of raw materials and generating equally gargantuan quantities of waste are the packaging and infrastructure sectors. In 2017 in Europe, for example, packaging reached a record 173 kg of packaging waste per capita. One of the largest packaging consumers is the food industry, in which 40% of packaging is made of petroleum-derived single-use plastic, leading to a massive carbon imbalance. “The Built Environment,” on the other hand, is responsible for about 50% of ...


How Student Attitudes Have Changed Toward Chemistry Due To The Implementation Of Hybrid Labs, Erica Bronwyn Mobley 2022 Ohio Northern University

How Student Attitudes Have Changed Toward Chemistry Due To The Implementation Of Hybrid Labs, Erica Bronwyn Mobley

ONU Student Research Colloquium

Hybrid chemistry labs in schools and universities have become much more common due to the COVID-19 pandemic. Previous research on student perceptions of chemistry has shown a correlation between their attitudes and performance in this subject that educators are still seeking to understand. This mixed methods study compared perceptions of students in traditional, in-person labs (pre-COVID, 2017) with students in a mixture of virtual and in-person labs (during COVID, 2020) over the course of a semester. The Attitude toward the Study of Chemistry Inventory (ASCI) survey was given to both cohorts of students and focused on five areas related to ...


Designing Experiments: The Impact Of Peer Review Structure On Organic Chemistry Students' Experimental Designs, Katie Patterson 2022 University of Nebraska-Lincoln

Designing Experiments: The Impact Of Peer Review Structure On Organic Chemistry Students' Experimental Designs, Katie Patterson

Student Research Projects, Dissertations, and Theses - Chemistry Department

To better understand how peer review can be used to support students when designing experiments, the current thesis examined how the structure of the peer review template affects the kinds of feedback students give and the revisions that they make. I utilized a quasi-experimental design to investigate the effects that the peer review template had on the outcome of an experimental design task. A sample of 195 students enrolled in an Organic Chemistry I course participated in the study. The students were divided into two groups, one of which was given a scaffolded peer review template and the other was ...


Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell 2022 Kennesaw State University

Ketal-Azaborine Versus Ketal-Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Heteroaromatic Polycyclic Chromophores, Albert Campbell, Janiyah Riley, Samuel Moore, Albert Campbell

Symposium of Student Scholars

Flat-structured heteroaromatic polycyclic compounds with extended conjugated π-systems such as azaborines are in high demand in the material and imaging technology markets because of their unique features such as simultaneous tunability of fluorescence color and intensity. We have designed, synthesized, and investigated a series of novel conjugated thermally stable ketal-azaborine chromophores that contain a phenyl ring as a spacer between electronic moieties and the ketal-azaborine core as easily tunable high-luminescent organic materials. We investigated the impact of the phenyl spacer on the ketal-azaborine unit. We examined the structural effects on their photophysical properties by incorporating electron –donating and –withdrawing substituents ...


Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley 2022 Kennesaw State University

Azaborine Versus Azaborine With A Spacer: Structural Effects On The Photophysical Properties Of Tunable Azaborine Chromophores, Kaia Ellis, Janiyah Riley, Lyric Gordon, Janiyah Riley

Symposium of Student Scholars

Azaborines are fascinating compounds because of their valuable and interesting optical properties making them suitable to be utilized in many optoelectronic devices. We have designed, synthesized, and investigated a series of novel conjugated thermally stable azaborine chromophores by incorporating a phenyl ring as a spacer linking the chromophore to different electronic moieties as easily tunable high-luminescent organic materials. We investigated the effect of the phenyl spacer on the azaborine unit. The substituent effects of different electronic moieties were investigated by the insertion of electron –withdrawing and –donating moieties to the phenyl spacer. We examined the role of the electron –donating ...


1st Place Contest Entry: Designing Hollow Nanogels For Drug Delivery Applications, Mo Hijazi 2022 Chapman University

1st Place Contest Entry: Designing Hollow Nanogels For Drug Delivery Applications, Mo Hijazi

Kevin and Tam Ross Undergraduate Research Prize

This is Mo Hijazi's submission for the 2022 Kevin and Tam Ross Undergraduate Research Prize, which won first place. It contains their essay on using library resources, their bibliography, and a summary of their research project on hollow-core nanogels.

Mo is a second-year student at Chapman University, majoring in Biological Sciences. Their faculty mentor is Dr. Molla Islam.


Microfluidic Paper Analytical Devices, Madison Page 2022 Taylor University

Microfluidic Paper Analytical Devices, Madison Page

Chemistry

Microfluidic paper analytical devices (µPADs) are small, paper-based matrices similar to Lab-on-a-Chip (LOC). They are capable of semi-quantitative analysis, with applications ranging from medical to environmental to food and beverage testing. Important to improving point-of-care devices (POCs), various techniques have been integrated into µPADs to customize analysis and fit different clinical situations.


Comparing And Contrasting Therapeutic Drugs Vs. Lifestyle Changes That Combattype-Ii Diabetes, Alexander Cline Helmuth 2022 Taylor University

Comparing And Contrasting Therapeutic Drugs Vs. Lifestyle Changes That Combattype-Ii Diabetes, Alexander Cline Helmuth

Chemistry

In this thesis, I will be presenting various preventive approaches to combat type-II diabetes. The focus of this paper will be comparing and contrasting therapeutic drug targets such as Metformin and Sulfonylureas that are prescribed for type-II diabetic patients versus taking preventative steps such as making lifestyle changes including weight management, physical activity, and having a balanced diet that prevents onset of type-II diabetes or helps patients manage type-II diabetes. From this paper, one will gain insight on how there are multiple approaches to combat type-II diabetes that are not in the form of the pill.


The Application Of Biological Processes To Increase Energy Potential In Landfills, Ashlyn Eisenhart 2022 Taylor University

The Application Of Biological Processes To Increase Energy Potential In Landfills, Ashlyn Eisenhart

Chemistry

There has been a dramatic increase in the amount of waste that we humans have created. This has been due to population growth, an increase in industrial manufacturing, along with urbanization and modernization.8 The number of tons of municipal solid waste entering landfills has increased from 82.5 million tons in 1960 to 146.1 million tons in 2018.17 However, thanks to recycling, composting, and energy recovery from combustion, the percentage of solid waste going to landfills has dramatically decreased, from around 93.6 to about 65.4 percent.17


Chemistry Of Toothpaste, Kayla Blanche Kirtley 2022 Taylor University

Chemistry Of Toothpaste, Kayla Blanche Kirtley

Chemistry

The chemistry of toothpaste is explained, with a description of the chemical components and their mode of action in the role of toothpaste.


Oxidation Of Thiols To Disulfides Using An Environmentally “Green” Organocatalyst And New Mechanistic Insights, Kosta V. Vlasakakis, Olivia M. White, Robert P. Reynolds, Shayne M. Weierbach, Shannon M. Weaver, Ramsey T. Ritter, Nishi H. Patel, Eric C. Hayes, Sydney Dunmire, Kyle M. Lambert 2022 Old Dominion University

Oxidation Of Thiols To Disulfides Using An Environmentally “Green” Organocatalyst And New Mechanistic Insights, Kosta V. Vlasakakis, Olivia M. White, Robert P. Reynolds, Shayne M. Weierbach, Shannon M. Weaver, Ramsey T. Ritter, Nishi H. Patel, Eric C. Hayes, Sydney Dunmire, Kyle M. Lambert

Undergraduate Research Symposium

The selective oxidation of thiols to disulfides is an area of great importance in the areas of materials and medicinal chemistry research. The production of polymers, rubber, pharmaceuticals, and the folding of proteins in biological systems all rely on the formation of disulfide bonds. Herein, we introduce a stoichiometric and electrocatalytic method for the oxidation of various pharmaceutically and biologically relevant thiols into their respective disulfides in more environmentally benign solvents such as water and alcohol solvents. The scope of the transformation was evaluated and a detailed mechanistic study involving control experiments, experimental kinetic studies, and computational investigations led to ...


Escherichia Coli Alanyl-Trna Synthetase Maintains Proofreading Activity And Translational Accuracy Under Oxidative Stress, Arundhati Kavoor, Paul Kelly, Michael Ibba 2022 The Ohio State University

Escherichia Coli Alanyl-Trna Synthetase Maintains Proofreading Activity And Translational Accuracy Under Oxidative Stress, Arundhati Kavoor, Paul Kelly, Michael Ibba

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Aminoacyl-tRNA synthetases (aaRSs) are enzymes that synthesize aminoacyl-tRNAs to facilitate translation of the genetic code. Quality control by aaRS proofreading and other mechanisms maintains translational accuracy, which promotes cellular viability. Systematic disruption of proofreading, as recently demonstrated for alanyl-tRNA synthetase (AlaRS), leads to dysregulation of the proteome and reduced viability. Recent studies showed that environmental challenges such as exposure to reactive oxygen species can also alter aaRS synthetic and proofreading functions, prompting us to investigate if oxidation might positively or negatively affect AlaRS activity. We found that while oxidation leads to modification of several residues in Escherichia coli AlaRS, unlike ...


Peptidomics Analysis Reveals Changes In Small Urinary Peptides In Patients With Interstitial Cystitis/Bladder Pain Syndrome, Md Shadman Ridwan Abid, Haowen Qiu, Bridget Tripp, Aline De Lima Leite, Heidi E. Roth, Jiri Adamec, Robert Powers, James W. Checco 2022 University of Nebraska-Lincoln

Peptidomics Analysis Reveals Changes In Small Urinary Peptides In Patients With Interstitial Cystitis/Bladder Pain Syndrome, Md Shadman Ridwan Abid, Haowen Qiu, Bridget Tripp, Aline De Lima Leite, Heidi E. Roth, Jiri Adamec, Robert Powers, James W. Checco

Faculty Publications -- Chemistry Department

Interstitial cystitis/bladder pain syndrome (IC/BPS) is a chronic and debilitating pain disorder of the bladder and urinary tract with poorly understood etiology. A definitive diagnosis of IC/BPS can be challenging because many symptoms are shared with other urological disorders. An analysis of urine presents an attractive and non-invasive resource for monitoring and diagnosing IC/BPS. The antiproliferative factor (APF) peptide has been previously identified in the urine of IC/BPS patients and is a proposed biomarker for the disorder. Nevertheless, other small urinary peptides have remained uninvestigated in IC/BPS primarily because protein biomarker discovery efforts employ ...


Advancing Competency In Managing Risk And Knowledge: Steps Toward Operationalisation Of The Risk-Knowledge Infinity Cycle (Rki Cycle) - Part 1: Improving Effectiveness Of Risk-Based Decision Making (Rbdm), Martin Lipa, Paige Kane, Anne Green 2022 Pharmaceutical Regulatory Science Team (PRST)

Advancing Competency In Managing Risk And Knowledge: Steps Toward Operationalisation Of The Risk-Knowledge Infinity Cycle (Rki Cycle) - Part 1: Improving Effectiveness Of Risk-Based Decision Making (Rbdm), Martin Lipa, Paige Kane, Anne Green

Articles

To date, literature on the Risk-Knowledge Infinity Cycle (RKI Cycle) has mainly been theoretical. This paper series intent is to focus on the operationalisation of the RKI Cycle by describing a series of steps – the “How to” – for RKI Cycle deployment, to help move the RKI Cycle from theory to practice. The first paper in this series focuses on how the RKI Cycle can support effective Risk-Based Decision Making (RBDM).


Electrochemical Impedance Spectroscopy Analysis Of Corrosion Of Reinforcing Steel In Fly Ash Mortar By Means Of Transmission Line Modeling, Padraig Stack 2022 The University of Akron

Electrochemical Impedance Spectroscopy Analysis Of Corrosion Of Reinforcing Steel In Fly Ash Mortar By Means Of Transmission Line Modeling, Padraig Stack

Williams Honors College, Honors Research Projects

Electrochemical impedance spectroscopy (EIS) is an important non-destructive tool that allows for a deeper understanding of the electrochemical processes and mechanisms occurring in an electrochemical cell. Equivalent electrical circuits (EECs) are used to model the impedance data into electrical components, such as resistors and capacitors, on a circuit. Current potentiostat offers software packages that can analyze the frequency response, but the software only supports “simple” EEC that can be written as fixed electrical components in some combination of series and parallel. Park and Macdonald propose a transmission line model (TLM) that does not use lumped-element models, instead, the values of ...


Analysis Of Blue Fountain Pen Ink By Uv-Vis Spectroscopy, Atr-Ftir Spectroscopy, And Thin Layer Chromatography Enhanced With Rgb Spot Evaluation To Construct A Database For Comparison And Identification., Elliot D. Quinteros 2022 CUNY City College

Analysis Of Blue Fountain Pen Ink By Uv-Vis Spectroscopy, Atr-Ftir Spectroscopy, And Thin Layer Chromatography Enhanced With Rgb Spot Evaluation To Construct A Database For Comparison And Identification., Elliot D. Quinteros

Dissertations and Theses

Pen ink can be a crucial piece of physical evidence in the area of Forensic Science. For example, evidence such as notes, letters, printed documents, checks, currency, ransom notes, and books may contain ink. Analysis of ink is typically done for identification or differentiation purposes. To improve existing methods, it was proposed to create a database with many samples and experimental information. The methods used and evaluated were thin-layer chromatography (TLC) enhanced with RGB spot evaluation, UV-Vis spectroscopy, and ATR-FTIR spectroscopy. All three methods were used to analyze 89 fountain pen ink samples. All three methods were able to discriminate ...


Self-Assembly Of Black Cumin Oil-Based Nanoemulsion On Various Surfactants: A Molecular Dynamics Study, Aulia Fikri Hidayat, Taufik Muhammad Fakih 2021 Department of Pharmacy, Faculty of Mathematics and Natural Sciences, Universitas Islam Bandung, Bandung 40116, Indonesia

Self-Assembly Of Black Cumin Oil-Based Nanoemulsion On Various Surfactants: A Molecular Dynamics Study, Aulia Fikri Hidayat, Taufik Muhammad Fakih

Makara Journal of Science

Black cumin is commonly used as traditional medicine due to its wide range of pharmacological potential. Black cumin oil (BCO) was often prepared as nanoemulsion to improve its solubility, stability, and bioavailability. This study was conducted to investigate the molecular behavior as well as structural evolution of BCO-surfactant systems during self-assembly micellization using molecular dynamics (MD) simulations. Several BCO constituents and variations of surfactants were employed to model BCO-surfactant systems. 50 ns of MD simulations were performed to elucidate their evolution of structures and physicochemical properties during formation. Results showed that BCO-tween20 and BCO-lecithin were able to form spherical-shaped micelles ...


Functional Inks And Indicators For Smart Tag Based Intelligent Packaging Applications, Liisa Hakola, Kaisa Vehmas, Maria Smolander 2021 VTT Technical Research Centre of Finland Ltd.

Functional Inks And Indicators For Smart Tag Based Intelligent Packaging Applications, Liisa Hakola, Kaisa Vehmas, Maria Smolander

Journal of Applied Packaging Research

Smart Tags are functional, information transmitting elements that combine 2D barcodes and environmental sensing into a cost effective tag that can be attached to e.g. product packages, where additional elements should not increase the product costs significantly. Important feature of these Smart Tags is that they can be attached to products in very high-speed production lines, which makes them suitable to fast moving consumer goods. Because the Smart Tags are sensitive to environmental conditions, they are dynamic, but they also enable context aware services as each of them can be unique. The enabling technologies behind these Smart Tags are ...


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