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2019

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Articles 811 - 840 of 1773

Full-Text Articles in Chemistry

Sensitive And Reusable Electrogenerated Chemiluminescence Aptasensor Fabricated By Electrochemically Double Covalent Coupling Method For The Detection Of Cocaine, Xiao-Feia Wang, Tinga Zhang, Bing Wang, Hong-Lan Qi, Cheng-Xiao Zhang Apr 2019

Sensitive And Reusable Electrogenerated Chemiluminescence Aptasensor Fabricated By Electrochemically Double Covalent Coupling Method For The Detection Of Cocaine, Xiao-Feia Wang, Tinga Zhang, Bing Wang, Hong-Lan Qi, Cheng-Xiao Zhang

Journal of Electrochemistry

A double covalent coupling method based on click chemistry and diazonium chemistry was developed for the fabrication of a sensitive and reusable electrogenerated chemiluminescence (ECL) aptasensor. As a proof-of-concept, cocaine was chosen as a model target, and a specific aptamer was chosen as a recognition molecule element, while ruthenium complex derivative (Ru1) as an ECL signal compound. The ECL aptasensor was fabricated by electrochemically diazotizing a phenylazide on the surface of a glassy carbon electrode, and then, coupling the alkyne functionalized Ru1-labeled cocaine aptamer through click chemistry. The ECL aptasensor was facilely used to determine cocaine in the range from …

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Preparation And Electrocatalytic Oxygen Reduction Performance Of Self-Doped Sludge-Derived Carbon, Ya-Li Ye, Wei-Ming Feng, Ge Li, Zhen-Chao Lei, Chun-Hua Feng Apr 2019

Preparation And Electrocatalytic Oxygen Reduction Performance Of Self-Doped Sludge-Derived Carbon, Ya-Li Ye, Wei-Ming Feng, Ge Li, Zhen-Chao Lei, Chun-Hua Feng

Journal of Electrochemistry

The development of low-cost, high-performance cathode catalysts is critical for practical application of fuel cells. Here, the N, P-doped porous graphene-like carbon with outstanding oxygen reduction reaction (ORR) performance was synthesized by pyrolysis of surplus sludge, which functioned as a self-doped, self-activated, and self-templated precursor by acclimation with continuous feedings of phenol. The results show that the amounts of microorganisms were enriched after acclimation, with increasing contents of N, P, Fe, as well as C atoms. The increasing pyrolysis temperature resulted in the formation of an ordered graphitic structure, however, the excessively high temperature induced the drop in the amounts …

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Low Molecular Weight Fluorescent Probes (Lmfps) To Detect The Group 12 Metal Triad, Ashley D. Johnson, Rose M. Curtis, Karl J. Wallace Apr 2019

Low Molecular Weight Fluorescent Probes (Lmfps) To Detect The Group 12 Metal Triad, Ashley D. Johnson, Rose M. Curtis, Karl J. Wallace

Faculty Publications

Fluorescence sensing, of d-block elements such as Cu2+, Fe3+, Fe2+, Cd2+, Hg2+, and Zn2+ has significantly increased since the beginning of the 21st century. These particular metal ions play essential roles in biological, industrial, and environmental applications, therefore, there has been a drive to measure, detect, and remediate these metal ions. We have chosen to highlight the low molecular weight fluorescent probes (LMFPs) that undergo an optical response upon coordination with the group 12 triad (Zn2+, Cd2+, and Hg2+), as these metals have …

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Heavy Metal Detection With Bismuth Film Electrode, Jen Olivero, Iain Laprade, Gabby Servito Apr 2019

Heavy Metal Detection With Bismuth Film Electrode, Jen Olivero, Iain Laprade, Gabby Servito

Creative Activity and Research Day - CARD

The purpose of this project is to extend the application of stripping square-wave voltammetry to allow for the detection of various heavy metals in water samples, to include lead, cadmium, and zinc contaminants. Glassy carbon bismuth film electrodes proved to be more reliable than screen printed carbon electrodes for detection of heavy metals. Parameters were optimized to allow for the quantification of lead, zinc, and cadmium simultaneously in tap water along with an unknown Fromm water sample. Cadmium and thallium were found to be present at the same potential on the voltammogram; this prevented simultaneous detection of both metals. Bismuth …

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Electropolymerization Of Polyaniline In The Presence Of Ferricyanide, Farhad Akrami, Lucas Marinelli, Ryan M. West Apr 2019

Electropolymerization Of Polyaniline In The Presence Of Ferricyanide, Farhad Akrami, Lucas Marinelli, Ryan M. West

Creative Activity and Research Day - CARD

Here, we demonstrate that electropolymerization of aniline in the presence of ferricyanide leads to incorporation of the ferricyanide anions into the resulting polyaniline (PANI) film and an increase of the apparent deposition rate. Simultaneous cyclic voltammetry (CV) and quartz crystal microbalance (QCM) measurements in background electrolyte show a change in counter ion ingress/egress during oxidation and reduction of the film: an “inverted” mass transport behavior is observed, suggesting a cation-exchange mechanism for maintaining charge neutrality during oxidation of the leucoemeraldine to emeraldine state of the polymer. The behavior of the PANI-ferricyanide film is compared with films polymerized in the presence …

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The Effects Of Ph On The Kinetics Of The Follow-Up Reaction Of Dopamine O-Quinone, Cyril Fong, Ziming Dong Apr 2019

The Effects Of Ph On The Kinetics Of The Follow-Up Reaction Of Dopamine O-Quinone, Cyril Fong, Ziming Dong

Creative Activity and Research Day - CARD

The electrochemical studies of dopamine have been conducted for many years due to dopamine’s importance as a neurotransmitter and its function in daily life for individuals. Dopamine undergoes electrochemical redox reactions in which the different products can be detected by cyclic voltammetry.3 The focus of the experiments was to determine the pH range at which dopamine o-quinone would undergo cyclization as well as the relationship between the rate of cyclization as pH in the physiological range. The measurements were taken using a gold working electrode vs. a Ag/AgCl (1 M KCl) reference electrode. It was observed that the peaks …

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Effect Of A Coordinating Pyridine Moiety On The Sap And Tsap Isomer Populations Of Bimodal Lanthanide (Iii) Complexes, Marisa Poveda, Osasere M. Evbuomwan Apr 2019

Effect Of A Coordinating Pyridine Moiety On The Sap And Tsap Isomer Populations Of Bimodal Lanthanide (Iii) Complexes, Marisa Poveda, Osasere M. Evbuomwan

Creative Activity and Research Day - CARD

Paramagnetic Chemical Exchange Saturation Transfer (PARACEST) agents are lanthanide complexes that generate contrast through the slow-to-intermediate exchange of paramagnetically-shifted protons or water molecules. Although PARACEST agents have shown promise as molecular imaging agents, in-vivostudies have been limited due to the masking of the CEST signal by spin-relaxation exchange (T2ex) and Magnetization Transfer (MT) effects. The majority of PARACEST agents studied to date have been Ln(III)DOTA-tetraamides which can either adopt the square antiprismatic (SAP) or twisted square antiprismatic (TSAP) geometries in solution. The more compact nature of the SAP isomer, combined with its slower bound-water exchange kinetics, makes …

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Effect Of Salt Concentration On Electrochemical Detection Of Dna, Ziming Dong, Eddie Madrigal, Ryan West Dr. Apr 2019

Effect Of Salt Concentration On Electrochemical Detection Of Dna, Ziming Dong, Eddie Madrigal, Ryan West Dr.

Creative Activity and Research Day - CARD

Electrochemical approaches for biological sensing offer the potential advantages of facile sample preparation, fast response times, ease of parallel and multiplexed measurements, and the possibility of miniaturization (of sample sizes, electrodes, and associated electronics). All of these factors contribute towards the feasibility of electrochemical methods in biological sensing and analysis. This potential has already been achieved with the commercialization of blood glucose meters, which often rely on an electrochemical transduction mechanism. We have previously demonstrated the ability to electrochemically detect and differentiate complementary and mismatched DNA using our method of melting DNA duplexes at electrified gold surfaces, i.e. e-melting. Recently, …

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Heavy-Atom Tunneling In The Planar Bond Shifting Of [16]Annulene, Philip Lampkin, Jon Shezaf Apr 2019

Heavy-Atom Tunneling In The Planar Bond Shifting Of [16]Annulene, Philip Lampkin, Jon Shezaf

Creative Activity and Research Day - CARD

Mid-sized annulenes are known to undergo rapid π-bond shifting. Given that heavy­atom tunneling plays a role in planar bond shifting of cyclobutadiene, we computationally explored the contribution of heavy­ atom tunneling to the planar bond shifting in the major (CTCTCTCT) and minor (CTCTTCTT) isomers of [16]annulene. (U)M06-2X/cc-pVDZ calculations yield bond-shifting barriers of ca. 10 kcal/mol. The results also reveal extremely narrow barrier widths, suggesting a high probability of tunneling for these bond-shifting reactions. Rate constants were calculated using canonical variational transition state theory (CVT) as well as with small curvature tunneling (SCT) contributions, via direct dynamics. For the major isomer, …

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Building Blocks For Oligosaccharide Synthesis, Mariya Novakova, Mithila Bandara, Catherine Alex Apr 2019

Building Blocks For Oligosaccharide Synthesis, Mariya Novakova, Mithila Bandara, Catherine Alex

Undergraduate Research Symposium

Carbohydrates (sugars or glycans) are involved in many processes and are referred to as the “essential molecules of life.” Our life begins with fertilization, which takes place via carbohydrate-protein recognition. Our journey with sugars continues with human milk that becomes the ideal first food for babies. Oligosaccharides present in human milk (HMOs) can provide prebiotic effects, function as antimicrobial agents, and provide necessary nutrients for the development of the brain and cognition of infants. Throughout our lifetime, sugars are involved in many upkeeping processes and defensive mechanisms including joint lubrication, cell growth, antigenic determination, anti-inflammation, immune response. Presented herein is …

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Comparison Of Hop Derived Humulone Constituents In Beer Using Uv-Vis, Hplc, And Lc-Ms, Aaron I. Boland, Nicholas Viriyasiri, Lorna Espinosa, Hunter Campbell, Kurt Driesner Apr 2019

Comparison Of Hop Derived Humulone Constituents In Beer Using Uv-Vis, Hplc, And Lc-Ms, Aaron I. Boland, Nicholas Viriyasiri, Lorna Espinosa, Hunter Campbell, Kurt Driesner

Undergraduate Research Symposium

Lupulones and humulones are two families of compounds derived from the hop flower (Humulus lupulus), utilized in brewing beer. Isohumulones are produced during the boiling process by isomerization reactions of humulones and are the primary bittering compounds in beer. The concentration in parts per million (ppm) of isohumulone is reported as IBU (International Bittering Units). Measurement of these compounds is valuable to brewers, but is confounded by other constituents in beer which may also absorb at the 275nm wavelength in UV-Vis spectrometry, the industry standard method. 25 samples were measured using UV-Vis, then analyzed by High Precision Liquid Chromatography (HPLC) …

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Molecular Assembly Line For Intramolecular Electron Transferring Bimetallic Fe And Mn Cyanometallate Clusters, Austin L. Stelling, Nigam Rath Apr 2019

Molecular Assembly Line For Intramolecular Electron Transferring Bimetallic Fe And Mn Cyanometallate Clusters, Austin L. Stelling, Nigam Rath

Undergraduate Research Symposium

There has been emerging worldwide research dedicated to finding molecular complexes suitable for molecule-based high-density information storage via intramolecular electron transfer. A known cyanoferrate switchable material, Prussian Blue, has inspired research efforts of Holmes et al. to create families of heterometallic Prussian Blue derivatives that display optical and magnetic behavioral transitions with the variation of light and temperature. The task for my undergraduate research project is synthesizing massive switchable molecular clusters containing cyano-bridged Fe and Mn units. During the process, Marcus-Hush theory of electron transfer was an important consideration during the synthesis of tri- and tetranuclear complexes with varying redox …

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Comparison Of Hop Derived Humulone Constituents In Beer Using Uv-Vis, Hplc, And Lc-Ms, Aaron Boland, Nicholas Viriyasiri, Hunter Campbell Apr 2019

Comparison Of Hop Derived Humulone Constituents In Beer Using Uv-Vis, Hplc, And Lc-Ms, Aaron Boland, Nicholas Viriyasiri, Hunter Campbell

Undergraduate Research Symposium

Lupulones and humulones are two families of compounds derived from the hop flower (Humulus lupulus), utilized in brewing beer. Isohumulones are produced during the boiling process by isomerization reactions of humulones and are the primary bittering compounds in beer. The concentration in parts per million (ppm) of isohumulone is reported as IBU (International Bittering Units). Measurement of these compounds is valuable to brewers, but is confounded by other constituents in beer which may also absorb at the 275nm wavelength in UV-Vis spectrometry, the industry standard method. 25 samples were measured using UV-Vis, then analyzed by High Precision Liquid Chromatography (HPLC) …

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Hplc-Based Automated Synthesis: Building Blocks For The Development Of New Technologies, Hayley B. Steber, Matteo Panza Apr 2019

Hplc-Based Automated Synthesis: Building Blocks For The Development Of New Technologies, Hayley B. Steber, Matteo Panza

Undergraduate Research Symposium

Use of automated technologies is of increasing interest in glycosciences.1 Among the new methodologies, a number of recent advancements have emerged in the area of solid-phase oligosaccharide synthesis.2-3 Demchenko and Stine developed a synthesizer based on a commercial HPLC instrument that was recently improved by the implementation of the autosampler for the delivery of glycosylation promoters.4 Despite the added versatility, the system still lacks complete automation. The foundations of glycan syntheses are acceptors and donors, grouped together under the general term of building blocks. Presented herein is the synthesis of the building blocks of the rhamno and galacto series. We …

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Interactions Of (My) 6 (M = Zn, Cd; Y = O, S, Se) Quantum Dots With N-Bases, Mariusz Michalczyk, Wiktor Zierkiewicz, Steve Scheiner Apr 2019

Interactions Of (My) 6 (M = Zn, Cd; Y = O, S, Se) Quantum Dots With N-Bases, Mariusz Michalczyk, Wiktor Zierkiewicz, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

(MY)6 clusters, with M = Zn and Cd and Y = O, S, Se, form double-layer drum-like structures containing M–Y covalent bonds. The positive regions near the M atoms attract the N atom of both NH3 and NMe3 so as to form a noncovalent M···N bond. This bond is quite strong, with interaction energies exceeding 35 kcal/mol. The bond strength diminishes with reduced electronegativity of the Y atom (O > S > Se) and is stronger for M = Zn than for Cd. Trimethylation of the base enhances the bond strength. The interaction is dominated by the electrostatic component …

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Computational Investigation On Electronic Structures And Properties Of 4,6-Bis(Nitroimino)-1,3,5-Triazinan-2-One: An Insensitive Munition Compound, Katarina M. Pittman, Harley R. Mcalexander, Gregory S. Tschumper, Manoj K. Shukla Apr 2019

Computational Investigation On Electronic Structures And Properties Of 4,6-Bis(Nitroimino)-1,3,5-Triazinan-2-One: An Insensitive Munition Compound, Katarina M. Pittman, Harley R. Mcalexander, Gregory S. Tschumper, Manoj K. Shukla

Chemistry Faculty Research & Creative Works

In order to minimize unintentional detonation, munitions researchers have focused on the development of chemical compounds that are insensitive to external stimuli while maintaining their effectiveness. Although these compounds, known as high-performance insensitive munition compounds, are promising in terms of potency and stability, their environmental impacts have either not been fully understood or are yet to be investigated. In the present research, we have performed a quantum chemical investigation on electronic structures and properties of an insensitive munition compound 4,6-bis(nitroimino)-1,3,5-triazinan-2-one (DNAM). The density functional theory using the B3LYP and M06-2X functionals and MP2 methodology were used for geometry optimization of …

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Coumarins And P450s, Studies Reported To-Date, Maryam Foroozesh, Jayalakshmi Sridhar, Navneet Goyal, Jiawang Liu Apr 2019

Coumarins And P450s, Studies Reported To-Date, Maryam Foroozesh, Jayalakshmi Sridhar, Navneet Goyal, Jiawang Liu

Faculty and Staff Publications

Cytochrome P450 enzymes (CYPs) are important phase I enzymes involved in themetabolism of endogenous and xenobiotic compounds mainly through mono-oxygenation reactions into more polar and easier to excrete species. In addition to their role in detoxification, they play important roles in the biosynthesis of endogenous compounds and the bioactivation of xenobiotics. Coumarins, phytochemicals abundant in food and commonly used in fragrances and cosmetics, have been shown to interact with P450 enzymes as substrates and/or inhibitors. In this review, these interactions and their significance in pharmacology and toxicology are discussed in detail.

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2019 Petersheim Academic Exposition Schedule Of Events, Seton Hall University Apr 2019

2019 Petersheim Academic Exposition Schedule Of Events, Seton Hall University

Petersheim Academic Exposition

2019 Petersheim Academic Exposition

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Department Of Chemistry And Biochemistry 24th Departmental Symposium In Conjunction With The Petersheim Academic Exposition, Seton Hall University Apr 2019

Department Of Chemistry And Biochemistry 24th Departmental Symposium In Conjunction With The Petersheim Academic Exposition, Seton Hall University

Petersheim Academic Exposition

No abstract provided.

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Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman Apr 2019

Using A Balloon-Launched Unmanned Glider To Validate Real-Time Wrf Modeling, Travis J. Schuyler, S. M. Iman Gohari, Gary Pundsack, Donald Berchoff, Marcelo I. Guzman

Chemistry Faculty Publications

The use of small unmanned aerial systems (sUAS) for meteorological measurements has expanded significantly in recent years. SUAS are efficient platforms for collecting data with high resolution in both space and time, providing opportunities for enhanced atmospheric sampling. Furthermore, advances in mesoscale weather research and forecasting (WRF) modeling and graphical processing unit (GPU) computing have enabled high resolution weather modeling. In this manuscript, a balloon-launched unmanned glider, complete with a suite of sensors to measure atmospheric temperature, pressure, and relative humidity, is deployed for validation of real-time weather models. This work demonstrates the usefulness of sUAS for validating and improving …

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Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath Apr 2019

Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath

Chemistry and Biochemistry Faculty Research

The relative orientation and alignment of colliding molecules plays a key role in determining the rates of chemical processes. Here, we examine in detail a prototypical example: rotational quenching of HD in cold collisions with H2. We show that the rotational quenching rate from j = 2 → 0, in the v = 1 vibrational level, can be maximized by aligning the HD along the collision axis and can be minimized by aligning the HD at the so called magic angle. This follows from quite general helicity considerations and suggests that quenching rates for other similar systems can also be …

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High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms Apr 2019

High Resolution Near-Infrared/Visible Intracavity Laser Spectroscopy Of Small Molecules, Jack Harms

Dissertations

Intracavity laser spectroscopy has been used to study the electronic structure of several small molecules. The molecules studied as part of this dissertation include germanium hydride (GeH), copper oxide (CuO), nickel chloride (NiCl), platinum fluoride (PtF), platinum chloride (PtCl), and copper hydroxide (CuOH). This work encompasses five peer-reviewed publications and two submitted manuscripts.

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Detecting Zn(Ii) Ions In Live Cells With Near-Infrared Fluorescent Probes., Mingxi Fang, Shuai Xia, Jianheng Bi, Travis P Wigstrom, Loredana Valenzano, Jianbo Wang, Marina Tanasova, Rudy Luck, Haiying Liu Apr 2019

Detecting Zn(Ii) Ions In Live Cells With Near-Infrared Fluorescent Probes., Mingxi Fang, Shuai Xia, Jianheng Bi, Travis P Wigstrom, Loredana Valenzano, Jianbo Wang, Marina Tanasova, Rudy Luck, Haiying Liu

Michigan Tech Publications, Part 1

Two near-infrared fluorescent probes (A and B) containing hemicyanine structures appended to dipicolylamine (DPA), and a dipicolylamine derivative where one pyridine was substituted with pyrazine, respectively, were synthesized and tested for the identification of Zn(II) ions in live cells. In both probes, an acetyl group is attached to the phenolic oxygen atom of the hemicyanine platform to decrease the probe fluorescence background. Probe A displays sensitive fluorescence responses and binds preferentially to Zn(II) ions over other metal ions such as Cd2+ ions with a low detection limit of 0.45 nM. In contrast, the emission spectra of probe B is …

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Ligand Selectivity In The Recognition Of Protoberberine Alkaloids By Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, And Nmr Experiments, Nanjie Deng, Junchao Xia, Lauren Wickstrom, Clement Lin, Kaibo Wang, Peng He, Yunting Yin, Danzhou Yang Apr 2019

Ligand Selectivity In The Recognition Of Protoberberine Alkaloids By Hybrid-2 Human Telomeric G-Quadruplex: Binding Free Energy Calculation, Fluorescence Binding, And Nmr Experiments, Nanjie Deng, Junchao Xia, Lauren Wickstrom, Clement Lin, Kaibo Wang, Peng He, Yunting Yin, Danzhou Yang

Publications and Research

The human telomeric G-quadruplex (G4) is an attractive target for developing anticancer drugs. Natural products protoberberine alkaloids are known to bind human telomeric G4 and inhibit telomerase. Among several structurally similar protoberberine alkaloids, epiberberine (EPI) shows the greatest specificity in recognizing the human telomeric G4 over duplex DNA and other G4s. Recently, NMR study revealed that EPI recognizes specifically the hybrid-2 form human telomeric G4 by inducing large rearrangements in the 50-flanking segment and loop regions to form a highly extensive four-layered binding pocket. Using the NMR structure of the EPI-human telomeric G4 complex, here we perform molecular dynamics free …

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Assessment Of Oxidative Stress In The Livers Of Rats Exposed To 2-Aminoanthracene For Twelve Weeks, John C. Stagg Apr 2019

Assessment Of Oxidative Stress In The Livers Of Rats Exposed To 2-Aminoanthracene For Twelve Weeks, John C. Stagg

Honors College Theses

Diabetes is a chronic illness that affects many people, and it’s thought that environmental exposure to certain compounds may increase its proliferation. In this study, we examine the dietary effects of 2-aminoanthracene (2AA), a polycyclic aromatic hydrocarbon (PAH), in rats, specifically as it relates to oxidative stress. Oxidative stress refers to the imbalance of reactive oxygen species (ROS) and antioxidants in living systems; it has been shown to contribute to type-1 diabetes. To accomplish the study objectives rats were divided into three dietary treatment groups, control (0 mg/kg-2AA), low dose (50 mg/kg-2AA) and high dose (100 mg/kg-2AA). Rats were fed …

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The Nifz Accessory Protein Has An Equivalent Function In Maturation Of Both Nitrogenase Mofe Protein P-Clusters, Emilio Jimenez-Vicente, Zhi-Yong Yang, Julia S. Martin Del Campo, Valarie L. Cash, Lance C. Seefeldt, Dennis R. Dean Apr 2019

The Nifz Accessory Protein Has An Equivalent Function In Maturation Of Both Nitrogenase Mofe Protein P-Clusters, Emilio Jimenez-Vicente, Zhi-Yong Yang, Julia S. Martin Del Campo, Valarie L. Cash, Lance C. Seefeldt, Dennis R. Dean

Chemistry and Biochemistry Faculty Publications

The Mo-dependent nitrogenase comprises two interacting components called the Fe protein and the MoFe protein. The MoFe protein is an α2β2 heterotetramer that harbors two types of complex metalloclusters, both of which are necessary for N2reduction. One type is a 7Fe-9S-Mo-C-homocitrate species designated FeMo-cofactor, which provides the N2-binding catalytic site, and the other is an 8Fe-7S species designated the P-cluster, involved in mediating intercomponent electron transfer to FeMo-cofactor. The MoFe protein's catalytic partner, Fe protein, is also required for both FeMo-cofactor formation and the conversion of an immature form of P-clusters to the …

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Palladium-Catalyzed Direct Α‑C(Sp3) Heteroarylation Of Ketones Under Microwave Irradiation, Andrew Quillen, Quynh Nguyen, Matthew Neiser, Kara Lindsay, Alexander Rosen, Stephen Ramirez, Stefana Costan, Oscar Rodriguez, Diego Rivera, Abdurrahman Atesin, Tülay A. Ateşin Apr 2019

Palladium-Catalyzed Direct Α‑C(Sp3) Heteroarylation Of Ketones Under Microwave Irradiation, Andrew Quillen, Quynh Nguyen, Matthew Neiser, Kara Lindsay, Alexander Rosen, Stephen Ramirez, Stefana Costan, Oscar Rodriguez, Diego Rivera, Abdurrahman Atesin, Tülay A. Ateşin

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Heteroaryl compounds are valuable building blocks in medicinal chemistry and chemical industry. A palladium-catalyzed direct α-C(sp3) heteroarylation of ketones under microwave irradiation is developed and reported in this study. Under optimized conditions, twenty-eight (28) heteroarylated ketones were prepared in this study to demonstrate the substrate scope of this reaction. The ground-state optimized structure of Pd(0) active catalyst with 2-dicyclohexylphosphino-2′,4′,6′-triisopropylbiphenyl (XPhos) in toluene, and the products of its reaction with 3-bromopyridine and acetophenone were studied using all-atom density functional theory. This study provided insightful information for palladium catalytic system design to generate heteroaryl compounds.

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Best Organic Chemistry Practices In The Midwest, Claire Van Der Bosch Apr 2019

Best Organic Chemistry Practices In The Midwest, Claire Van Der Bosch

Honors Theses

Organic Chemistry is a gateway course to a handful of courses in higher chemical education. Unfortunately, it is notorious for its high-fail, high-withdrawal, and high-drop rate and has a reputation for being time-consuming, with difficult concepts that are oftentimes new to students. It is often taught in a two-semester sequence, with the courses named Organic I and Organic II, and both courses have a lab component. At Western Michigan University, the fail rate for these two courses are 53.5% and 36.9%, respectively. Most higher education institutions are certified with the American Chemical Society (ACS) and given a skeleton of a …

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Sir J. Fraser Stoddart To Speak At Andrews, Desmond Murray Apr 2019

Sir J. Fraser Stoddart To Speak At Andrews, Desmond Murray

Andrews Agenda: Campus News

No abstract provided.

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Nanogels And Microgels: From Model Colloids To Applications, Recent Developments, And Future Trends, Mattias Karg, Andrij Pich, Thomas Hellweg, Todd Hoare, L. Andrew Lyon, J. J. Crassous, Daisuke Suzuki, Rustam A. Gumerov, Stefanie Schneider, Igor I. Potemkin, Walter Richtering Apr 2019

Nanogels And Microgels: From Model Colloids To Applications, Recent Developments, And Future Trends, Mattias Karg, Andrij Pich, Thomas Hellweg, Todd Hoare, L. Andrew Lyon, J. J. Crassous, Daisuke Suzuki, Rustam A. Gumerov, Stefanie Schneider, Igor I. Potemkin, Walter Richtering

Engineering Faculty Articles and Research

Nanogels and microgels are soft, deformable, and penetrable objects with an internal gel-like structure that is swollen by the dispersing solvent. Their softness and the potential to respond to external stimuli like temperature, pressure, pH, ionic strength, and different analytes make them interesting as soft model systems in fundamental research as well as for a broad range of applications, in particular in the field of biological applications. Recent tremendous developments in their synthesis open access to systems with complex architectures and compositions allowing for tailoring microgels with specific properties. At the same time state-of-the-art theoretical and simulation approaches offer deeper …

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