Chemistry Commons^™

Synthesis Of 5,6-Diaminoacenaphthylene By Reduction Of Sterically Crowded Nitro Groups With Sodium Dithionite, Amber J. Dood, Patrick A. Fisher, Christine L. Bodden, Luke J. Peterson, Kathryn A. Lindberg, Trevor A. Coeling, Douglas C. Yarbrough, Jason G. Gillmore

Faculty Publications

5,6-Diaminoacenaphthylene was synthesized in four steps from acenaphthene. This seemingly simple molecule provides unique synthetic challenges because it is relatively difficult to reduce the nitro groups and the molecule contains a particularly reactive double bond. It was determined that the only feasible sequence for the synthesis was to nitrate acenaphthene, then brominate, eliminate, and finally selectively reduce. Several reduction methods were attempted before finding one that would completely reduce both nitro groups while leaving the double bond intact.

Integrated Proteotranscriptomics Of Breast Cancer Reveals Globally Increased Protein-Mrna Concordance Associated With Subtypes And Survival, Wei Tang, Ming Zhou, Tiffany H Dorsey, Darue A Prieto, Xin W Wang, Eytan Ruppin, Timothy Veenstra, Stefan Ambs

Pharmaceutical Sciences Faculty Publications

BACKGROUND: Transcriptome analysis of breast cancer discovered distinct disease subtypes of clinical significance. However, it remains a challenge to define disease biology solely based on gene expression because tumor biology is often the result of protein function. Here, we measured global proteome and transcriptome expression in human breast tumors and adjacent non-cancerous tissue and performed an integrated proteotranscriptomic analysis.

METHODS: We applied a quantitative liquid chromatography/mass spectrometry-based proteome analysis using an untargeted approach and analyzed protein extracts from 65 breast tumors and 53 adjacent non-cancerous tissues. Additional gene expression data from Affymetrix Gene Chip Human Gene ST Arrays were available …

An Assessment Of Computational Methods For Calculating Accurate Structures And Energies Of Bio-Relevant Polysulfur/Selenium-Containing Compounds, Sahar Nikoo, Paul Meister, John Hayward, James Gauld

Chemistry and Biochemistry Publications

The heavier chalcogens sulfur and selenium are important in organic and inorganic chemistry, and the role of such chalcogens in biological systems has recently gained more attention. Sulfur and, to a lesser extent selenium, are involved in diverse reactions from redox signaling to antioxidant activity and are considered essential nutrients. We investigated the ability of the DFT functionals (B3LYP, B3PW91, ωB97XD, M06-2X, and M08-HX) relative to electron correlation methods MP2 and QCISD to produce reliable and accurate structures as well as thermochemical data for sulfur/selenium-containing systems. Bond lengths, proton affinities (PA), gas phase basicities (GPB), chalcogen–chalcogen bond dissociation enthalpies (BDE), …

Computational, Experimental Details, And Biological Raw Data Accompanying The Publication: “The Synthesis And Characterization Of A Nanomagnetite With Potent Antibacterial Activity And Low Mammalian Toxicity”, Seyedeh Maryamdokht Taimoory, Abbas Rahdar, Mousa Aliahmad, Fardin Sadeghfar, Mohammad Reza Hajinezhad, Mohammad Jahantigh, Parisa Shahbazi, John F. Trant

Chemistry and Biochemistry Publications

This data file includes experimental details on how to make uncoated iron oxide nanoparticles using a green electrochemical method. It provides the raw data on the antibacterial activity of one of these formulations, and the full computational data and methodology used to generate that data, of several different magnetite clusters of specific spin multiplicities for 4, 5, 7 and 9 iron atom magnetite clusters. This data will assist other researchers wishing to replicate or expand on these results for the investigation and use of nanomagnetite for antibacterial applications.

Vitamin E Promotes The Inverse Hexagonal Phase Via A Novel Mechanism Implications For Antioxidant Role, Paul Harper

University Faculty Publications and Creative Works

No abstract provided.

Ray Et Al.: Pheromone Of The Velvet Longhorned Beetle Trichoferus Campestris, Ann M. Ray, Joseph A. Francese, Yunfan Zou, Kristopher Watson, Damon J. Crook, Jocelyn G. Millar

Faculty Scholarship

No abstract provided.

Assessing Biofiltration Without Ozonation For Removal Of Trihalomethane Precursors In Drinking Water At The Beaver Water District Drinking Water Treatment Plant, Sana Ajaz

Graduate Theses and Dissertations

Biofiltration without pre-ozonation has the capability to remove natural organic matter (NOM) fractions that serve as precursors of disinfection byproducts (DBPs), which include the four regulated trihalomethanes (THMs) and dichloroacetonitrile (DCAN). Rapid small-scale column tests (RSSCTs) and Pilot Plant filters operated at empty-bed contact times (EBCTs) of 4, 8, and 16 minutes were used to evaluate the performance of nutrient-amended (free ammonia and phosphorus) biofiltration for THM and DCAN precursor removal, as measured using formation potential (FP) tests. NOM surrogates – which include dissolved organic carbon (DOC), specific ultraviolet absorbance (SUVA254) and fluorescence-PARAFAC components – were measured weekly throughout the …

Data On Spectrum-Based Fluorescence Resonance Energy Transfer Measurement Of E. Coli Multidrug Transporter Acrb, Yuguang Cai, Thomas E. Wilkop, Yinan Wei

Chemistry Faculty Publications

This paper presented the dataset of correction parameters used in the determination of the energy transfer efficiencies from the spectrum-based fluorescence resonance energy transfer (FRET) measurement in a trimeric membrane protein AcrB. The cyan fluorescent protein (CFP) and yellow fluorescent protein (YPet) were used as the donor and acceptor, respectively. Two AcrB fusion proteins were constructed, AcrB-CFP and AcrB-YPet. The proteins were co-expressed in Escherichia coli cells, and energy transfer efficiency were determined in live cells. To obtain reliable energy transfer data, a complete set of correction parameters need to be first determined to accommodate for factors such as background …

Diamond Intracrystalline Stable Isotope Chemical Image Analysis By Time-Of-Flight Secondary Ionization Mass Spectrometery, Tyler J. Sundell

MSU Graduate Theses

The chemical resistance of diamond allows in-situ study of the diamond source regions. For a majority of gem quality diamonds, this source region is the sublithospheric mantle keel of a cratonic nuclei. Through analysis of stable isotopes, radiogenic isotopes and trace elements, diamond geochemical analyses can define chemical fluxes in the mantle keel. However, such studies require multiple methodologies for each chemical suite, high spatial resolution and analytical precision. Here, I evaluate Time-of-Flight Secondary Ionization Mass Spectrometer (ToF-SIMS) as an alternative method for diamond geochemical analyses. ToF-SIMS analysis can perform in cation and anion mode to measure the entire periodic …

Computational Quantum Chemistry Studies Of The Interactions Of Amino Acids Side Chains With The Guanine Radical Cation., Edward Acheampong

Electronic Theses and Dissertations

Guanine is generally accepted as the most easily oxidized DNA base when cells are subjected to ionizing radiation, photoionization or photosensitization. At pH 7, the midpoint reduction potential is on the order of 0.2 – 0.3 V higher than those of the radicals of e.g. tyrosine, tryptophan cysteine and histidine, so that the radical “repair” (or at least, a thermodynamically favorable reaction) involving these amino acids is feasible. Computational quantum studies have been done on tyrosine, tryptophan, cysteine and histidine side chains as they appear in histones. Density functional theory was employed using B3LYP/6-31G+ (d, p) basis set to study …

H2 Oxidation Over Supported Au Nanoparticle Catalysts: Evidence For Heterolytic H2 Activation At The Metal-Support Interface, Todd N. Whittaker, K. B. Sravan Kumar, Christine Peterson, Meagan N. Pollock, L. C. Grabow, Bert D. Chandler

Chemistry Faculty Research

Water adsorbed at the metal-support interface (MSI) plays an important role in multiple reactions. Due to its importance in CO preferential oxidation (PrOx), we examined H₂ oxidation kinetics in the presence of water over Au/TiO₂ and Au/Al₂O₃ catalysts, reaching the following mechanistic conclusions: (i) O₂ activation follows a similar mechanism to that proposed in CO oxidation catalysis; (ii) weakly adsorbed H₂O is a strong reaction inhibitor; (iii) fast H₂ activation occurs at the MSI, and (iv) H₂ activation kinetics are inconsistent with traditional dissociative H₂ chemisorption on metals. Density …

Sem/Edx Analysis Of Bronze Disease, Brian Pauley, Nicole Bishop

Fall 2018 - Chemical Analysis Class Projects

Bronze disease is a type of self-progressing corrosion of bronze. This degradation is thought to be caused by humidity but proliferated through the formation of chlorine containing compounds that further react with the air. The origination of the bronze disease in this artifact is thought to have arisen from the tanning process used in the surrounding leather. It is highly probable that potassium chloride was used in the tanning process, providing the initial chlorides that cause bronze disease. The damage that this corrosion can cause can destroy priceless artifacts. An understanding of the bronze disease structure and chemical composition is …

Determination Of Lead Content In Sidecar Coffee, Birk Shaikoski, Joshua Sebree

Fall 2018 - Chemical Analysis Class Projects

This project analyzed the amount of lead present in coffee beans from various parts of the world and decaffeinated beans.

The Characterization Of Leather Wwii Artifacts Using Gc/Ms And Raman Spectroscopy, Brice Houser

Fall 2018 - Chemical Analysis Class Projects

Many museums face the challenge of protecting artifacts from deterioration. This process is often hampered by the history of the artifact, which can introduce factors that start or speed up the process of deterioration. An example of this is the method used during WW II to preserve leather. Mink oil or other fatty substances are used to help preserve and soften leather. A major component of mink oil is palmitic acid.

1 This fatty acid may have reacted with the brass in the same way that the oils from the hand react with coins to make that distinctive metallic smell, …

A Compositional Study Of The Uni Museum Benin Bronzes Using Scanning Electron Microscopy, Elizabeth Akers

Fall 2018 - Chemical Analysis Class Projects

In 1897, the British empire annexed the kingdom of Benin in present day Nigeria.1 Many cultural artifacts, including a large collection of bronze statues and plaques, were taken and distributed among major museums

• Due to their increased demand, many sellers began creating fake bronzes to sell to tourists and collectors alike

• Four Benin bronze artifacts were donated to the museum in 1968 and have been questioned in terms of authenticity based on qualitative analyses

African Masks: Are They Authentic Of Fake? A Fluorescence And Reflective Uv-Vis Spectroscopic Approach, Kaitlyn Parrott

Fall 2018 - Chemical Analysis Class Projects

This project was a search for a new way to determine the authenticity of their African Mask collection. The University of Northern Iowa Museum has allowed the non-destructive analysis of five of their African Masks and a collection of African wood samples. This study is investigating if fluorescence spectroscopy and reflective UV-Vis spectroscopy of the African masks Of the five masks two are authentic masks, two are fake, and one the authenticity is unknown.

Raman Spectroscopy For Authentication Of African Tribal Masks, Huzaifa Islam Shah, Joshua Sebree

Fall 2018 - Chemical Analysis Class Projects

University of Northern Iowa museum’s collection includes some wooden African tribal masks and African wood samples . Authenticity of the masks was doubted, therefore 5 of the masks and 27 different African wood samples were analyzed using Raman spectroscopy to determine the authenticity of the masks. The data obtained suggested that none of the masks were made up of the wood samples from Africa examined in the project.

Near-Infrared Spectroscopy Of African Tribal Masks, Jordan Smith, Huzaifa Shah, Kaitlyn Parrott

Fall 2018 - Chemical Analysis Class Projects

The project attempts to determine the authenticity of African masks using near-infrared spectroscopy.

Unveiling Charge-Separation Dynamics In Cds/Metal–Organic Framework Composites For Enhanced Photocatalysis, Hai-Qun Xu, Sizhuo Yang, Xing Ma, Jier Huang, Hai-Long Wang

Chemistry Faculty Research and Publications

Photocatalytic water splitting for H₂ production becomes one of the most favorable pathways for solar energy utilization, while the charge-separation dynamics in composite photocatalysts is largely elusive. In the present work, CdS-decorated metal–organic framework (MOF) composites, namely, CdS/UiO-66, have been synthesized and exhibit high H₂ production activity from photocatalytic water splitting, far surpassing the MOF and CdS counterparts, under visible light irradiation. Transient absorption (TA) spectroscopy has been adopted in this report to unveil the charge-separation dynamics in CdS/UiO-66 composites, a key process that dictates their function in photocatalysis. We show that, in addition to the preferable formation …

Graphene-Based Materials Coated On Zeolite For The Removal Of Persistent Organic Pollutants From Water, Yan Zhang

Theses and Dissertations

Adsorption is a fast, low-cost and the most commonly implemented water treatment technology for the removal of multiple contaminations from ground water, drinking water or wastewater. Difficulties in removing persistent organic pollutants (POPs) to improve quality and safety of treated water sources require the exploration of novel and multifunctional materials. Graphene-based materials having unique structures, high specific surface areas and tailorable functional groups are promising candidates as adsorbents.

The main goal of this work is to fabricate a novel adsorbent made of GO/rGO attached on natural zeolite substrates for the removal of variably charged organic model compounds and POPs in …