Chemistry Commons^™

Developing High-Capacity Rechargeable Batteries Based On Lithium-Sulfur Chemistry, Yiren Zhong

Link Foundation Energy Fellowship Reports

The development of portable and transportation applications, such as the booming electrical vehicles, heavily relies on high-energy battery technologies. As the current Li-ion batteries approach the energy storage limit, the new battery chemistry that promises higher theoretical energy density should be pursued.1 Lithium-sulfur (Li-S) batteries use light-weight lithium as the anode and low-cost sulfur as the cathode and ether-based solution as the electrolyte. With the chemical conversion reaction of 16 Li + S8 ↔ 8 Li2S, Li-S batteries can provide a theoretical specific energy (2600 Wh/kg), 5 times over that of current Li-ion batteries.2, 3 Practical Li-S batteries require a …

5-Methyl-4-(5-Methyl-3-Oxo-2-Phenyl-2,3-Di­Hydro-1h-Pyrazol-4-Yl)-2-Phenyl-1h-Pyrazol-3(2h)-One, Gregory Powell, Brad Rix

Chemistry and Biochemistry

No abstract provided.

Magnetic Hyperthermia For Cancer Treatment, Çiğdem Elif Demirci Dönmez, Adem Dönmez

Science and Mathematical Science

The obtained results in this study clearly indicates the enhancing effect of polymer coating on hyperthermia efficiency. In a very recent study, the efficiency of the niclosamide-loaded hyperbranched polymerfunctionalized magnetic nanoparticles on mediated hyperthermia and niclosamide (an anticancer drug) bimodel therapy were investigated. The results in this study indicated that polymerfunctionalized nanoparticles showed sufficient temperature gain for magnetic hyperthermia.

Use Of Confocal Raman Microscopy To Characterise Ethyl Cyanoacrylate Adhesive Depth Curing, Kevin Raheem, John Cassidy, Tony Betts, Bernard Ryan

Articles

In situ spatial temporal measurement of monomer conversion during adhesive bondline curing remains a challenging area. The aim of this work was to demonstrate the effectiveness of using confocal Raman microscopy in a specially configured experimental set-up, as a versatile tool for measuring monomer concentration changes as a function of both time and adhesive bond depth during ethyl cyanoacrylate polymerisation. This also allowed monitoring of the extent of polymerisation at the adhesive substrate interface independently of the bulk bondline polymerisation region. Key kinetic parameters such as inhibition time tlag, rate of reaction Rmax and extent of reaction [at]max were obtained …

Outstanding Reviewers For Analyst In 2019, Royal Society Of Chemistry

Articles

We would like to take this opportunity to thank all of Analyst's reviewers, and in particular highlight the Outstanding Reviewers for the journal in 2019, as selected by the editorial team for their significant contribution to Analyst. We announce our Outstanding Reviewers annually and each receives a certificate to give recognition for their contribution. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.

Protein Structural Comparison Between Covid-19 And Other Coronaviruses, Vanessa Colmenares

Seton Hall Biochemistry II Annals of Student Reviews

The recent emergence of the novel coronavirus disease of 2019 (COVID-19) in Wuhan, China and its rapid spread across the world has posed a global health emergency. Scientists and researchers across the world are working together to improve the methods of detection and generate a vaccine that will cure the disease. However, in order to develop therapeutic strategies and techniques for the treatment of COVID-19, the structure of SARS-CoV-2 must be entirely scrutinized and comprehended. This review illustrates the similarities and differences between SARS-CoV-2 and other coronaviruses, while also indicating why the development of this lethal viral RNA can only …

Species Specificity And Cross-Species Transition In Relation To Sars-Cov-2 Spike Proteins, Edrice Sediq

Seton Hall Biochemistry II Annals of Student Reviews

Coronaviruses are known as envelope RNA viruses that are able to infect and manifest disease in various avian and mammalian species. They have the ability to participate in cross-species transmission as seen in the human coronavirus, Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) in 2002. The most recent emergence of a novel coronavirus, SARS-CoV-2, has entered the world and presents similarities to known human coronaviruses. Mechanisms of viral entry and receptor interactions are key to understanding the process of transmission. Further elaboration will be presented on cross-species transmission and the role of viral proteins in spreading the virus.

Mechanism Of Interaction Between Sars-Cov-2 Spike Protein And Human Cell Receptors On Cell Membranes, Akilah Manteen

Seton Hall Biochemistry II Annals of Student Reviews

COVID-19, a recently established global pandemic, is linked to infection by the SARS-CoV-2 virus. This virus shares many structural similarities to the SARS-CoV virus that was responsible for the 2003-2004 SARS outbreak1.SARS-CoV-2 (thought to be a -coronavirus of B lineage2) is responsible for causing COVID-19 and shares many similarities to other viruses in the coronavirus family. Coronavirus comprise the Coronavirinae subfamily, which exists within the Coronaviridae family of the Nidovirales order3. Coronavirinae make up the largest of viruses, being approximately 30 kilobases long, and contain positive-sense RNA strands enveloped in a nucleocapsid (unusual for positive-sense RNA)4. The spike protein (S) …

A Review Of The Current Testing Methods For Sars-Cov-2 In The Us, Joshua Korn-Heilner

Seton Hall Biochemistry II Annals of Student Reviews

On March 11th 2020, the WHO classified the Covid-19 out-break as a pandemic1. As of May 10th 2020, according the WHO Situation Report-111, there are 3,917,366 confirmed cases of Covid-19 with 274,361 deaths globally2. The estimated basic reproduction number for Covid-19 is 2.2, meaning on average a person with the disease will infect 2 other people3. As of the date this paper was written, there are no conclusive methods of treatment, nor a vaccine for Covid-194. It is because of this that, arguably, the most effective policy to preventing deaths, harm, and extending isolation policies, is with mass tracking of …

Potential Drugs And Therapies To Treat Covid-19 And Other Related Coronaviruses, Emily Borland

Seton Hall Biochemistry II Annals of Student Reviews

The novel coronavirus that has recently emerged in Wuhan, China with probable bat origin is part of the betacoronavirus family which is similar to previously seen zoonotic based out breaks in the early 2000’s with SARS as well as in 2012 with MERS1. COVID-19 is the disease obtained from being infected by the novel SARS-CoV-2 virus, which enters through ACE2 (angiotensin-converting enzyme 2) cell receptors which is similar to SARS-CoV and MERS-CoV uses the DDP4 (dipeptidyl peptidase 4) cell receptor1. SARS-CoV-2 shares approximately 80% of its genomic identity with SARS-CoV2. Currently, there is a lot research being conducted to understand …

Synthesis Of Unsymmetrical Bidentate Ligands From Secondary Phosphine Oxides, Malachy J. Brink, Ryan Anderson

Student Research, Papers, and Creative Works

Stereochemistry is a key component in the field of asymmetric catalysis. The properties of a molecule can be drastically changed with the change of one stereocenter. Typically, chirality is imparted to a metal by the ligand. "Chiral-at-metal" compounds are unique because the metal complex is chiral, but the ligands are not. Phosphine ligands are notoriously difficult to work with (pyrophoric, toxic, prone to oxidation). The goal of this research was to prepare unsymmetrical bidentate ligands using secondary phosphine oxides, which are air-stable and easy to handle on the benchtop.

Water-Mediated Peptide Bond Formation In The Gas Phase: A Model Prebiotic Reaction, George C. Shields, Ariel Gale, Tuguldur T. Odbadrakh, Tyler Ball

Chemistry Publications

The emergence of life on the prebiotic Earth must have involved the formation of polypeptides, yet the polymerization of amino acids is thermodynamically unfavorable under biologically relevant aqueous conditions because amino acids are zwitterions in solution and because of the production of a water molecule through a condensation reaction. Many mechanisms for overcoming this thermodynamic unfavorability have been proposed, but the role of gas phase water clusters has not been investigated. We present the thermodynamics of the water-mediated gas phase dimerization reaction of glycine as a model for the atmospheric polymerization of amino acids prior to the emergence of biological …

A Proposed Mechanism To Induce Multi-Layer Polydiacetylene-Coated Filter Color Response To Bacteria , Timothy Hanks

Chemistry Publications

The purpose of this study was to develop a multi-layer diacetylene (PDA)-coated filter and to verify the proposed color response mechanism of PDA-coated filters to bacteria. Unlike other reports which immobilize PDA lipo- somes on solid support or create monolayer Langmuir films, multi-layer PDA-coated filters were generated by directly evaporating organic solvents. Different from incorporating functional headgroups or inserting phospho- lipids into PDA, we reported that bacterial growth can trigger the color change of PDA sensors without any mod- ification or phospholipid insertion. The mechanism that pH change from bacteria metabolites lead to color change of PDA filter was proposed …

Particle Formation And Surface Processes On Atmospheric Aerosols: A Review Of Applied Quantum Chemical Calculations, George C. Shields, Ariel Gale, Tyler Ball, Tuguldur T. Odbadrakh, Angelini Leonardi, Heather M. Ricker, Juan G. Navea

Chemistry Publications

Aerosols significantly influence atmospheric processes such as cloud nucleation, het- erogeneous chemistry, and heavy-metal transport in the troposphere. The chemical and physical complexity of atmospheric aerosols results in large uncertainties in their climate and health effects. In this article, we review recent advances in scientific understanding of aerosol processes achieved by the application of quantum chemical calculations. In particular, we emphasize recent work in two areas: new particle for- mation and heterogeneous processes. Details in quantum chemical methods are pro- vided, elaborating on computational models for prenucleation, secondary organic aerosol formation, and aerosol interface phenomena. Modeling of relative humidity effects, …

Twenty Years Of Exceptional Success: The MOlecular EDucation And REsearch COnsortium In UNdergraduate Computational ChemistRy (Mercury)” , George C. Shields

Chemistry Publications

The molecular education and research consortium in undergraduate computational chemistry (MERCURY) consortium, established in 2000, has contributed greatly to the scientific development of faculty and undergraduates. The MERCURY faculty peer-reviewed publication rate from 2001 to 2019 of 1.7 papers/faculty/year is 3.4 times the rate of the physical science faculty at primarily undergraduate institutions. We have worked with over 1000 students on research projects since 2001, and 75% of our undergraduate research students have been under-represented in chemistry, either female or students of color. Approximately half of our alumni attend graduate school for the purpose of obtaining advanced degrees in STEM …

Maintaining A High Degree Of Research Productivity At A Pui As Your Career Advances, George C. Shields, Scott E. Feller

Chemistry Publications

In this perspective, two experienced academic administrators who are computational chemists discuss strategies for how to maintain an active research program at a pre- dominately undergraduate institution as your career progresses. More responsibility equates to less time for research, so planning for research to remain a priority is essential. We all have the same amount of time, so figuring out how to use yours bet- ter is the key to remaining active. Professional organizations such as Council on Undergraduate Research, consortia of computational chemists such as Molecular Education and Research Consortium in computational chemistRY and Midwest Undergraduate Computational Chemistry Consortium, …

A Critical Analysis Of Electrospray Techniques For The Determination Of Accelerated Rates And Mechanisms Of Chemical Reactions In Droplets, G. Rovelli, M. I. Jacobs, M. D. Willis, Rebecca J. Rapf, A. M. Prophet, K. R. Wilson

Chemistry Faculty Research

Electrospray and Electrosonic Spray Ionization Mass Spectrometry (ESI-MS and ESSI-MS) have been widely used to report evidence that many chemical reactions in micro- and nano-droplets are dramatically accelerated by factors of ∼102 to 106 relative to macroscale bulk solutions. Despite electrospray's relative simplicity to both generate and detect reaction products in charged droplets using mass spectrometry, substantial complexity exists in how the electrospray process itself impacts the interpretation of the mechanism of these observed accelerated rates. ESI and ESSI are both coupled multi-phase processes, in which analytes in small charged droplets are transferred and detected as gas-phase ions with a …

Controlling Transition Metal-Catalyzed Alkyne Annulations Utilizing Polarized Ynol Ethers, Brandon L. Coles-Taylor

Electronic Theses and Dissertations

Transition metal-catalyzed alkyne annulations have developed into incredibly powerful synthetic tools over there the past quarter century. These reactions provide rapid access to important organic scaffolds such as indole, quinoline, isoquinoline, indene, and isocoumarin scaffolds. Transition metal mediated alkyne annulations have proven invaluable in synthetic fields, such as natural product total synthesis, by offering efficient pathways to otherwise synthetically difficult to access substrates.

Foundational works performed by chemist such as Larock, Ackermann, Satoh, and Miura have been established through relying upon the usage of symmetrical alkynes. When unsymmetrical alkynes are used in annulation processes mixtures of regioisomers are often isolated. …

Iron In Urban Air Pollution, Joseph R. Salazar

Electronic Theses and Dissertations

The processes by which iron is solubilized are largely unknown. There are three hypotheses on how iron is soluble: 1) iron is thought to undergo an acid based solubilization process, 2) iron undergoes an oxidation/reduction process and reduces iron(III) to the more soluble iron(II), and 3) iron is bound to organic molecules, which solubilizes it. The 3 hypotheses on iron water-solubilized are explored by presenting two individual studies.

The first study investigates iron directly from car exhaust. Exhaust particles were collected from 32 vehicles. Iron solubility in these samples ranged from 0%-82% with the average iron solubility being 30%. X-ray …

Instrument And Application Development In Saturation Recovery And Rapid Scan Electron Paramagnetic Resonance, Joseph E. Mcpeak

Electronic Theses and Dissertations

Enhanced signal sensitivity by the use of Rapid Scan (RS) electron paramagnetic resonance (EPR), a technique that allows for much faster magnetic field scans than traditional field-swept techniques, has facilitated improved data acquisition for many types of samples. For example, irradiated fingernails for radiation dosimetry have been studied using RS-EPR, which resulted in substantial decreases in detection limits. Samarium-mediated reduction mechanisms in organic synthesis have been investigated by RS-EPR providing evidence for a radical intermediate. Spectra of organic radicals exhibiting both narrow lines and closely spaced hyperfine interactions have been recorded via RS-EPR. Well-resolved spectra can be recorded at a …

Development Towards An Ethylene Sensing Artificial Metalloenzyme, Mitchell Lee Ellinwood

Electronic Theses and Dissertations

Ethylene (ethene) is the essential ripening hormone for climacteric plants, and consequently its detection and quantification is of considerable interest to the horticulture industry. Its detection however is a non-trivial pursuit, traditionally requiring expensive and inaccessible instrumentation that fail to provide in vivo information about ethylene. A ruthenium based fluorescent probe for the selective detection of ethylene has recently been developed, and it was envisioned that this probe could be made biocompatible by encasing it within a protein scaffold making it an artificial metalloenzyme. To this end biotinylated N-heterocyclic carbenes (NHCs) were synthesized, which can be appended onto the ruthenium …

A Diverse View Of Science To Catalyse Change: Valuing Diversity Leads To Scientific Excellence, The Progress Of Science And, Most Importantly, It Is Simply The Right Thing To Do. We Must Value Diversity Not Only In Words, But Also In Actions, César A. Urbina-Blanco, Safia Z. Jilani, Isaiah R. Speight, Michael J. Bojdys, Tomislav Friščić, J. Fraser Stoddart, Toby L. Nelson, James Mack, Renã A. S. Robinson, Emanuel A. Waddell, Jodie L. Lutkenhaus, Murrell Godfrey, Martine I. Abboud, Stephen O. Aderinto, Damilola Aderohunmu, Lučka Bibič, João Borges, Vy M. Dong, Lori Ferrins

Faculty and Student Publications

No abstract provided.

Organic Blue Tadf Chromophore Tag For Monitoring Transfection Studies, Brandon G. Bresler

Browse all Theses and Dissertations

A novel organic TADF chromophore was synthesized via a 3-step process to emit a blue fluorescent light upon excitation. The chromophore was covalently attached to a 61% isobutyryl amidated poly(ethyleneimine) (PEI-IBAm0.61) non-viral gene vector utilized in gene transfection experiments. The gene vectors are loaded with a green fluorescent protein (GFP) and are monitored via fluorescence microscopy. The addition of the blue chromophore therefore allows for the monitoring of the movements of the PEI-IBAm0.61 through the full delivery mechanism of the GFP inside the cells. This can give vital information about the overall toxicity of these non-viral gene vectors to biological …

Novel Integrated Nano-Sensors For Analysis Of Chemical Compounds In Natural Gas Applications, Taylor Robinson

Mahurin Honors College Capstone Experience/Thesis Projects

Semiconductor sensors have been important environmental gas detectors since the 1990s, and are commonly used to detect hydrogen, oxygen, alcohol vapor, and even harmful gases such as carbon monoxide. A gas chromatography approach is a well-proven and compact separation technique to identify and quantify multiple compounds in a complex background such as a true natural gas environment. Real time field monitoring implementing classical GC and standard sensors (FID, PID, etc.) have a lot of limitations due to its bulky size, heavy weight, and high maintenance. In this study, we developed a portable instrument through the utilization of novel solid-state sensors …

Geochemical Analysis And Heat-Treatment Of Natural Sapphires From Madagascar And Tanzania In Oxidizing And Reducing Conditions, Lukas Karuza, Dr. Michael B. Wolf, Brian Konecke Phd

Geology: Student Scholarship & Creative Works

Natural or synthetic sapphires can be heat-treated to improve the clarity by removing “silk” (inclusions) and to change color by introducing color-inducing elements (i.e., chromophores) into the lattice structure or changing their valency. Due to these reasons, sapphires can be heat-treated to increase their monetary value. Twenty natural blue (C1), 20 green (C2), and 20 clear (C3) sapphires from Madagascar and Tanzania were heat-treated in a muffle furnace in oxidizing and reducing conditions, from 1200 to 1600℃, for 10-hour soak time. In total, 5 experiments were conducted in which soak time remained constant: experiment 1 was performed at 1200℃, exp. …

Development And Application Of Chemical Tools To Identify Kinase-Substrate Interactions, Aparni Kithulgoda Gamage

Wayne State University Dissertations

Post translational modifications regulate a variety of biological processes inside the cell.Protein phosphorylation is one such PTM modification catalyzed by protein kinases, which aid to transfer a signal from one place to another inside the cell. However, irregularities in kinase-mediated signaling are often implicated in many diseases, making kinases effective drug targets. To understand kinase-related disease formation and to discover drugs to treat these diseases, it is crucial to have a clear understanding on kinase-mediated cell signaling networks. A current gap in the kinase biology field is a lack of tools to identify which kinase phosphorylates which protein substrate inside …

Spectroscopic Study On Pseudomonas Aeruginosa Biofilm In The Presence Of The Aptamer-Dna Scaffolded Silver Nanoclusters, Bidisha Sengupta, Prakash Adhikari, Esther Mallet, Ronald Havner, Prabhakar Pradhan

Faculty Publications

We report the effectiveness of silver nanocluster (Ag-NC) against the biofilm of Pseudomonas aeruginosa (PA). Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag-NC. While circular dichroism (CD) studies determined the presence of secondary structures, UV/Vis absorption, and fluorescence spectroscopic studies confirmed the formation of the fluorescent Ag-NC on the DNA templates. Furthermore, mesoscopic physics-based partial wave spectroscopy (PWS) was used to analyze the backscattered light signal that can detect the degree of nanoscale mass density/refractive index fluctuations to identify the biofilm formation, comparatively among the different aptamers with respect …

Data On Gc/Ms Elution Profile, 1h And 13c Nmr Spectra Of 1-, 3-, And 6-Nitrobenzo[A]Pyrenes, Kefa Karimu Onchoke

Faculty Publications

The data presented in this article is related to the research article entitled, “¹³C NMR Chemical Shift Assignments of Nitrated Benzo[a]pyrenes based on Two-dimensional Techniques and DFT/GIAO Calculations”, Kefa K. Onchoke, PeerJ., . The NMR spectral profiles of nitrated benzo[a]pyrenes is presented. Further, the article describes elution profiles of 1-, 3- and 6-NBaP, the acquisition of ¹H and ¹³C NMR data and the J-Coupling constants (which are useful for the assignment of peaks via 2D HMQC and HMBC techniques). The data presented is useful for developing structure-activity relationships for other nitrated polycyclic aromatic hydrocarbons (NPAHs)

Green Chemistry: The Oxidation Of Benzaldehyde Using Atmospheric Oxygen And N-Heterocyclic Carbenes As Catalysts, Alex Brody, John Morgan

Student Research Poster Presentations 2020

Oxidation is a vital process in organic and biochemical reactions. In particular, the oxidation of aromatic aldehydes to carboxylic acids and esters is a vital process used in many different environments. Benzaldehyde is one common subject of this type of reaction, used in the synthesis of benzoic acid and benzoate derivatives. Unfortunately, the industrial synthesis of these compounds uses harmful heavy metal oxidants such as Chromium(VI) and Manganese(VII), which are very harmful to the environment. We proposed to eliminate these pollutants by using atmospheric oxygen and an organic catalyst in a solvent free reaction. This reaction would then be microwaved …

Chemistry In Medicine, Olivia Visaggio, Alyssa Bondi, Matthew Gillingham, Hailey Loughlin

Student Research Poster Presentations 2020

The chemistry behind medicine is important and necessary to study many different drugs and their effects. In this project, we focused on the chemical composition and mechanisms of various drugs. The drugs we focused on include Opioids, NSAIDs, and other medications, such as Benzodiazepines and antibiotics. For each drug, we provided its structure as well as the functional groups, which include a part of a molecule that is recognized based on its arrangement of atoms. Organic Chemistry provides individuals with an understanding of various organic compounds, and this field of study is important as it explains the ways in which …