Chemistry Commons^™

Ruthenium Complexes Of The General Formula [Rucl2(Phox)2] As Precatalysts In Propargylic Substitution Reactions, Negar Jourabchian, Kellsie Jurkowski, Eike B. Bauer

Educator Preparation & Leadership Faculty Works

After activation by chloride abstraction utilizing NaBArF as an activator (BArF = tetrakis(3,5-bis(trifluoromethyl)phenyl)borate), a complex of the general formula [RuCl2(PHOX)2] was utilized as a catalyst in propargylic substitution reactions, where PHOX is a phosphinooxazoline ligand. Oxygen and nitrogen-centered nucleophiles could be employed in the substitution of a propargylic acetate to obtain the corresponding propargylic substitution products in 87% to 9% isolated yields (45 °C, 16 h reaction time, toluene solvent, 1–2 mol% catalyst loading, 1–2 mol% activator).

Legacy Contaminants In The Northern Gulf Of Mexico Shelf, Jessica N. Landry

LSU Master's Theses

The Mississippi River watershed is the third largest in the world and drains from 31 states in the United States. Due to its route through the U.S., it passes through hundreds of EPA labeled Superfund sites as well as agricultural and suburban watersheds. These sites are known to have historical chemical contamination, and as a result chemicals can be transported by runoff down the Mississippi River into the Gulf of Mexico where their ultimate fate is unknown. Organochlorine chemicals are known to be persistent and are found in agricultural land as well as US EPA Superfund sites, especially DDT, PCBs, …

Supercell Crystal Structure Of Na2ga2(Bo3)2, Grace Brown

UNO Student Research and Creative Activity Fair

Na₂Ga₂(BO₃)₂O is an oxyborate with a reported crystal structure in the trigonal space group P1c. The literature states that the three-dimensional structure is created from infinite stacking of parallel [NaGa₂(BO₃)₂] ∞ sheets separated by sodium layers. Our single-crystal X-ray diffraction data requires some modification to this structure. We believe that Na₂Ga₂(BO₃)₂O actually possesses a supercell crystal structure with lower symmetry. The borate anions within the [NaGa₂(BO₃)₂ ] sheets are not parallel to each …

Chlorination Of 3-Arylsydnones With Iodine Monochloride, Ben Owens

The University Honors Program

An improved method for the chlorination at the 4-position of 3- arylsydnones 1 was developed, using iodine monochloride (ICl) dissolved in DCM. 1,3,4-Oxadiazol-2(3H)-ones 3 were then synthesized from the resultant 4-chloro-3-arylsydnones 2. The scope and limitations will be presented.

Chemotherapeutic Applications Of Rhodamine Based Nanogumbos, Nimisha Bhattarai

LSU Doctoral Dissertations

The work presented in this dissertation employs nanomaterials derived from a group of uniform materials based on organic salts (GUMBOS) for selective chemotherapeutic applications. GUMBOS, similar to ionic liquids, are organic salts consisting of a bulky cationic and anionic moiety. In contrast to ionic liquids, these materials have melting points ranging from 25–250 °C, making them solid phase at room temperature. Similar to ionic liquids, GUMBOS display tunable properties, such as hydrophobicity and solubility, through counter ion variation. These tunable properties provide a variety of applications for these GUMBOS, including selective chemotherapeutics applications. The …

Aerosol Optical Properties And Trace Gas Emissions By Pax And Op-Ftir For Laboratory-Simulated Western Us Wildfires During Firex, Vanessa Selimovic, Robert J. Yokelson, Carsten Warneke, James M. Roberts, Joost De Gouw, James Reardon, David W.T. Griffith

Chemistry and Biochemistry Faculty Publications

Western wildfires have a major impact on air quality in the US. In the fall of 2016, 107 test fires were burned in the large-scale combustion facility at the US Forest Service Missoula Fire Sciences Laboratory as part of the Fire Influence on Regional and Global Environments Experiment (FIREX). Canopy, litter, duff, dead wood, and other fuel components were burned in combinations that represented realistic fuel complexes for several important western US coniferous and chaparral ecosystems including ponderosa pine, Douglas fir, Engelmann spruce, lodgepole pine, subalpine fir, chamise, and manzanita. In addition, dung, Indonesian peat, and individual coniferous ecosystem fuel …

In Vitro Label Free Screening Of Chemotherapeutic Drugs Using Raman Micro-Spectroscopy: Towards A New Paradigm Of Spectralomics., Zeineb Farhane, Haq Nawaz, Franck Bonnier, Hugh Byrne

Articles

This overview groups some of the recent studies highlighting the potential application of Raman micro-spectroscopy as an analytical technique in preclinical development to predict drug mechanism of action and in clinical application as a companion diagnostic and in personalised therapy due to its capacity to predict cellular resistance and therefore to optimise chemotherapeutic treatment efficacy.

Notably, the anthracyclines, Doxorubicin and Actinomycin D, elicit similar spectroscopic signatures of subcellular interaction characteristic of the mode of action of intercalation. Although Cisplatin and Vincristine show markedly different signatures, at low exposure doses, their signatures at higher doses show marked similarities to those elicited …

The "Double Standard" Of Nonproliferation: Regime Type And The U.S. Response To Nuclear Weapons Program, Alina Shymanska

International Journal of Nuclear Security

There is no doubt that the NPT regime is far from being equal for all states involved. As the predominant hegemonic power since WWII, the United States plays a major role in deciding the fates of non-great power proliferators. This article tries to find the logical explanation of the phenomenon whereby some nuclear proliferators are absolved regardless of their active accumulation of nuclear arsenals while others are labeled as “rogue states” and ordered to disarm. The article suggests that a particular proliferator’s political regime could affect the way in which its state is approached by the U.S., known for its …

Line Lists For Lif And Licl In The X1Σ+ Ground State, Dror M. Bittner, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Vibration–rotation line lists for ⁶LiF, ⁷LiF, ⁶Li³⁵Cl, ⁶Li³⁷Cl, ⁷Li³⁵Cl, and ⁷Li³⁷Cl in the X¹Σ⁺ ground states have been prepared. The rovibrational energy levels have been calculated using potential energy surfaces determined by direct potential-fitting employing the rotational and rovibrational transition frequencies of all isotopologues, and required the inclusion of Born–Oppenheimer breakdown terms. Dipole moment functions calculated ab initio at the MRCI/aug-cc-pwCV5Z level have been used for line strength calculations. Partition functions for temperatures up to 5000 K have been calculated. LiF and LiCl …

Improved Ultraviolet And Infrared Oscillator Strengths For Oh+, James N. Hodges, Dror M. Bittner, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Molecular ions are key reaction intermediates in the interstellar medium. OH⁺ plays a central role in the formation of more complex chemical species and for estimating the cosmic ray ionization rate in astrophysical environments. Here, we use a recent analysis of a laboratory spectrum in conjunction with ab initio methods to calculate infrared and ultraviolet oscillator strengths. These new oscillator strengths include branch dependent intensity corrections, arising from the Herman–Wallis effect, that have not been included before. We estimate 10% total uncertainty in the UV and 6% total uncertainty in the IR for the oscillator strengths.

Comparison Of A Simplified Cupric Oxide Oxidation Hplc Method With The Traditional Gc-Ms Method For Characterization Of Lignin Phenolics In Environmental Samples (Vol 13, Pg 1, 2015), Luni Sun, Robert G. M. Spencer, Peter J. Hernes, Rachael Y. Dyda, Kenneth Mopper

Chemistry & Biochemistry Faculty Publications

In our article entitled “Comparison of a simplified cupric oxide oxidation HPLC method with the traditional GC-MS method for characterization of lignin phenolics in environmental samples” (Limnol. Oceanogr.: Methods 13, 2015, 1–52), doi: 10.1002/lom3.10001, we would like to correct the errors in Fig. 2 and Table 2 as mentioned below. The label to Fig. 2(a) needs to be transposed as indicated in the corrected Fig. 2 image below.

Contribution Of Bulky <&Alpha>,<&Beta>-Dehydroamino Acids To The Proteolytic Stability Andenhanced Folding Of <&Beta>-Hairpins And Progress Towards The Total Synthesis Of Yaku<'>Amide A, Ankur Jalan

Theses and Dissertations

This dissertation primarily covers the impact of bulky ,-dehydroamino acids on the proteolytic stability and enhanced folding of -hairpins. It partly describes the progress towards the total synthesis of yakuamide A, a potent anticancer peptide with an IC50 value of 14 ng/mL against leukemia cells. Proteins and peptides are a very attractive source of potential medicinal agents as they can target various protein“protein interactions that are implicated in several diseases and disorders. The global sales of peptide drugs in 2013 were estimated to be about $28 billion and are constantly rising at an appreciable rate. However, peptide drugs have a …

Evaluating Differences In The Active-Site Electronics Of Supported Au Nanoparticle Catalysts Using Hammett And Dft Studies, G. Kumar, Luke Tibbitts, Jaclyn Newell, Basu Panthi, Ahana Mukhopadhyay, Robert M. Rioux, Christopher J. Pursell, M. Janik, Bert D. Chandler

Chemistry Faculty Research

Supported metal catalysts, which are composed of metal nanoparticles dispersed on metal oxides or other high-surface-area materials, are ubiquitous in industrially catalysed reactions. Identifying and characterizing the catalytic active sites on these materials still remains a substantial challenge, even though it is required to guide rational design of practical heterogeneous catalysts. Metal-support interactions have an enormous impact on the chemistry of the catalytic active site and can determine the optimum support for a reaction; however, few direct probes of these interactions are available. Here we show how benzyl alcohol oxidation Hammett studies can be used to characterize differences in the …

Discovery And Characterization Of Chemical Compounds That Inhibit The Function Of Aspartyl-Trna Synthetase From Pseudomonas Aeruginosa, Araceli Corona, Stephanie O. Palmer, Regina Zamacona, Benjamin Mendez, Frank B. Dean, James M. Bullard

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

Pseudomonas aeruginosa, an opportunistic pathogen, is highly susceptible to developing resistance to multiple antibiotics. The gene encoding aspartyl-tRNA synthetase (AspRS) from P. aeruginosa was cloned and the resulting protein characterized. AspRS was kinetically evaluated, and the KM values for aspartic acid, ATP, and tRNA were 170, 495, and 0.5 μM, respectively. AspRS was developed into a screening platform using scintillation proximity assay (SPA) technology and used to screen 1690 chemical compounds, resulting in the identification of two inhibitory compounds, BT02A02 and BT02C05. The minimum inhibitory concentrations (MICs) were determined against nine clinically relevant bacterial strains, including efflux pump …

Confocal Raman Spectroscopic Imaging For In Vitro Monitoring Of Active Ingredient Penetration And Distribution In Reconstructed Human Epidermis Model, Lynda Miloudi, Franck Bonnier, Ali Tfayli, Florent Yvergnaux, Hugh Byrne, Igor Chourpa, Emilie Munnier

Articles

Topically applied Active Cosmetic Ingredients (ACI) or Active Pharmaceutical Ingredients (API) efficacy is directly related to their efficiency of penetration in the skin. In vitro Reconstructed Human Epidermis (RHE) surrogate models offer in vivo like skin samples for transdermal studies. Using Delipidol®, an ACI currently used in the cosmetics industry, the capabilities to deliver accurate distribution maps and penetration profiles of this molecule by means of Confocal Raman spectroscopic Imaging have been demonstrated. Using a NCLS (Non negative constrained least squares) approach, contribution of specific molecules can be estimated at each point of spectral maps in order to deliver semi-quantitative …

Structure And Magnetic Properties Of A 1d Alternating Cu(Ii) Monomer―Paddlewheel Chain, Vanessa Machado, Mark M. Turnbull, Louise N. Dawe

Chemistry Faculty Publications

One-dimensional metal–organic coordination polymers make up a class of compounds with potential towards the development of practical, new magnetic materials. Herein, a rare example of an ABBABB coupled linear chain comprised of alternating dicopper(II) tetraacetate units bridged to copper(II) acetate monomer units via axial η²:η¹:µ₂ coordinated acetate is reported. Examination of the structure, determined by small molecule X-ray crystallography, shows that each Cu(II) ion is in a d_x2–_y2 magnetic ground state. Magnetic susceptibility and magnetization data were collected and, consistent with the structural interpretation, demonstrate that the Cu(II) dimer (paddlewheel) exhibits …

Preparation And Characterization Of Titanate-Phosphate Passivation Film On Tinplate, Zi-Yu Wang, Ming-Hao Wang, De-Yu Li, Ning Li

Journal of Electrochemistry

A passivation film was prepared on tinplate surface with a composite passivating agent made of titanate and phosphate. The surface morphologies, chemical compositions and corrosion resistances of the passivation films were characterized by scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), salt spray test, Tafel polarization measurement and electrochemical impedance spectroscopy (EIS). The results were compared with those films untreated and treated with titanate or phosphate passivation. It was shown that the titanate and phosphate passivation film was mainly composed of Ti₃(PO₄)₄·nH₂O and TiO₂. The finely crystallized surface could seal …

Preparation And Properties Of Nanocrystalline Nickel By Pulse Electrodeposition On Glassy Carbon, Ya-Li Zhang, Ming-Xian Zhang, Teng-Da Guo, Yan-Jie Zhao, Sheng-Xue Yu

Journal of Electrochemistry

Nanocrystalline nickel exhibits electrocatalytic activity for methanol. In this work, nanocrystalline nickel coating has been obtained by using the double pulse method on glassy carbon materials surface. The influence of pulse conditions on the grain size of nanocrystalline nicke was studied. The concentrations and compositions of the plating bath were  300 g·L^-1 NiSO₄·6H₂O,45 g·L^-1 NiCl₂·6H₂O,40 g·L^-1 H₃BO₃,5 g·L^-1 C₇H₅NO₃S,and 0.05 g·L^-1 C₁₂H₂₅NaO₄S. The optimal pulse process parameters including the average pulse …

Synthesis And Electrochemical Properties Of Nickel-Rich Cathode Material Lini0.6Co0.2Mn0.2O2 With High Initial Coulombic Efficiency, Xiao-Yun Guan, Chao-Yu Hong, Jian-Ping Zhu, Wei-Li Wang, Yi-Xiao Li, Yong Yang

Journal of Electrochemistry

Nickel-rich cathode materials LiNi_0.6Co_0.2Mn_0.2O₂(NCM622)were synthesized by a co-precipitation-solid state sintering method at different temperatures. The structure, morphology and electrochemical performance of the as-prepared materials were investigated by X-ray powder diffraction (XRD) /Rietveld refinement, scanning electron microscope (SEM) and electrochemical experiments. It is found that NCM622 calcined at 800 ℃ showed the lowest degree of cation disorder (~1.97%) with a high initial Coulombic effiency of 92.2% and the capacity retention of 81.4% after 100 cycles.

Electrodeposition Of Cigs Thin Film With Special Structure Using Laser Etching Template, Jin-Zhi Yu, Ye Lian, Jin-Qiu Zhang, Pei-Xia Yang, Mao-Zhong An

Journal of Electrochemistry

Copper indium gallium selenide (Cu_1.00In_xGa_1-xSe_2.00, CIGS) thin film solar cells have a wide application in semiconductor thin film batteries. The CIGS absorbing layer is the key of the thin film solar cell material. Therefore, it is of theoretical and practical significance to carry out researches in CIGS thin films. In this work, the CIGS thin films with special structures were prepared by using laser etching template. The copper thin film was firstly electrodeposited in aqueous solution with Laser etching template. The influences of temperature, current and concentration of copper sulfate on morphology …

An Electrochemical Investigation In The Anticorrosive Properties Of Silver Nanoparticles For The Acidic Corrosion Of Aluminium, H. A. Fetouh, B. A. Abd-El-Nabey, Y. M. Goher, M. S. Karam

Journal of Electrochemistry

The mass loss, potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) techniques were used for the determinations of the corrosion rates for aluminium in 1.0 mol·L^-1 hydrochloric acid (HCl) solutions both in the absence and presence of silver nanoparticles (SNPs) at 30 ℃. The protection efficiency was evaluated to be 96.4% for 0.014 g·L^-1 of the SNPs. It has been found that the capacity of the electrical double layer at the aluminium/solution interface was decreased with increasing the concentration of the SNPs, indicating that the SNPs were adsorbed at the aluminium surface. The Langmuir adsorption isotherm and the kinetic-thermodynamic …

Ferrocenylchalcone-Uracil Conjugates: Synthesis And Cytotoxic Evaluation, Amandeep Singh, Vishu Mehra, Neda Sadeghiani, Saghar Mozaffari, Keykavous Parang, Vipan Kumar

Pharmacy Faculty Articles and Research

Huisgen’s azide-alkyne cycloaddition reaction was employed to synthesize a series of 1H-1,2,3-triazole-tethered uracil-ferrocenyl chalcone conjugates with the aim of evaluating their in vitro anti-proliferative efficacy on human leukemia (CCRF-CEM) and human breast adenocarcinoma (MDA-MB-468) cell lines. Cytotoxic evaluation studies identified a number of synthesized conjugates that inhibited the proliferation of leukemia cancer cells by ~70% after 72 h. The selected synthesized conjugates were found to be significantly less cytotoxic against normal kidney cell line (LLC-PK1) when compared with CCRF-CEM cancer cells.

Preface For Special Issue On Electroplating And Surface Finishing, Mao-Zhong An

Journal of Electrochemistry

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Superhydrophobic Surface On Aluminum Alloy By Hydrothermal Method And Its Electrochemical Performance, Xiao-Hang Chen, Mo-Jing Chen, Yu-Lin Min, Qun-Jie Xu

Journal of Electrochemistry

Superhydrophobic film formed on a metal surface is an effective way for corrosion protection. In this paper, the superhydrophobic film was prepared on the surfaces of aluminum alloy by hydrothermally treating with a solution containing CeCl₃·7H₂O and CO(NH₂)₂ , and a self-assemble process. The electrochemical measurements and surface morphology results confirmed that the best superhydrophobicity and electrochemical performance could be achieved with the contact angle of 155.5^o after six hours of hydrothermal reaction. Furthermore, the inhibition efficiency of 99.6% was obtained in 3.5 wt% NaCl aqueous solution, indicating the excellent corrosion resistance …

Intrinsic Kinetic Properties Of Ternary Material For Lithium Ion Batteries Assessed By Single Particle Microelectrode, Yi-Min Wei

Journal of Electrochemistry

Electrochemical performances such as capacity, rate, cycle and thermal stability of the nickel (Ni), cobalt (Co) and manganese (Mn) ternary cathode material, LiNi_xCo_yMn_zO₂ (x + y + z = 1), are significantly influenced by the proportion of Ni, Co, and Mn elements. To obtain higher specific capacity, LiNi_0.6Co_0.2Mn _0.2O₂ (NCM622) and LiNi_0.8Co_0.1Mn_0.1O₂ (NCM811) with high amounts of Ni element were employed for the lithium ion batteries. By now, many studies have been focusing on the thermal and cycling stabilities of …

Preparation And Electrocatalytic Activity Of Nitrogen-Doping Tungsten Carbide Catalyst, Pian-Pian Yang, Li-Zhen Huang, Ying-Ying Li, Mei-Qin Shi, Chun-An Ma

Journal of Electrochemistry

Tungsten carbide (WC) is a promising electrocatalyst, however, its electrocatalytic activity is far inferior to Pt and Pt-group metal. In this work, nitrogen-doping tungsten carbide (WN|WC) catalysts with a nanoplate morphology were prepared via the tungsten nitride (WN) as the precursor and sodium tungstate as the tungsten source. The SEM and TEM results indicated that carbon atoms entered into the WN lattice to form the hexagonal close packed WC phase. In this way, an atomic scale heterostructure involving the closely linked interfaces between WN and WC was created . The XRD data confirmed that the cubic crystal structure of WN …

Deposition Mechanism And Coating Characterization For The Trivalent Chromium Electrodeposition In Sulphate Electrolyte, Hui Yan, Shuai-Shuai Huang, Fang-Zu Yang, Zhong-Qun Tian, Shao-Min Zhou

Journal of Electrochemistry

Linear sweep voltammetry (LSV) and cyclic voltammetry (CV) were used to study the electrodeposition mechanism of trivalent chromium on a copper electrode in the novel sulphate electrolyte for thick trivalent chromium plating. The thickness, morphology, composition, microhardness, and structure, as well as the corrosion resistance in 3.5wt% NaCl solution of the trivalent chromium coatings were investigated by X-ray fluorescence gage, scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), microhardness tester, X-ray diffraction (XRD) and Tafel curve measurements. The results showed that the electrodeposition of trivalent chromium involved two consecutive one electron reduction steps. The first step, Cr³⁺ + e …

Surface Ehancement Of Nickel Ions On Cyanide Free Immersion Gold Deposited From A Chloroauric Acid-Choline Chloride Solution On Medium-Phosphorus Nickel, Tian-Yu Xu, Shi-Ying Wang, Wen-Chang Wang, Zhi-Dong Chen

Journal of Electrochemistry

The nickel ions (Ni²⁺) were introduced into choline chloride (ChCl) cyanide free immersion gold solution to improve the surface quality of electrodeposition on medium-phosphorus nickel substrate. The addition of Ni²⁺ had no significant impact on the plating speed. However, the hyperactive corrosion of nickel substrate could be effectively alleviated by the addition of 500 mg·L^-1 NiCl₂·6H₂O, and the surface morphology of gold coating could be greatly improved. The choline chloride bath has great potential for industrial production due to its high Ni²⁺ carrying capacity (2000 mg·L^-1) and superior applicability …

Effects Of Carboxylic Acids On Structure And Performance Of 10% Vanadium Modified Li2Fesio4/C Composites, Xue-Xia Wei, Jia-Qi Huang, Shi-Yang Liu, Xuan Cheng, Ying Zhang

Journal of Electrochemistry

The carbon coated 10% vanadium modified lithium iron silicate (Li₂Fe_0.9V_0.1SiO₄/C) composites were prepared by sol-gel method to form precursor and followed by solid state reaction. Effects of different carboxylic acids, namely, citric acid, acetic acid and oxalic acid, on the crystal structures, surface morphologies, interfacial characteristics and electrochemical properties of the composites were systematically investigated. It was found that a mixed P2₁ and Pmn2₁ phase was formed with the major impure phase of iron (Fe) and minor impurity of lithium silicate (Li₂SiO₃). The initial discharge capacities …

Applications Of Electrospinning In Lithium-Air Batteries, Yue Fu, Jin Wang, Hai-Yang Yu, Jing-Hua Tian, Rui-Zhi Yang

Journal of Electrochemistry

Lithium-air batteries have received increasing attention as the “ultimate batteries” due to their extremely high theoretical capacity and environment friendly. However, there are still many obstacles hindering the wide applications of the lithium-air batteries owing to the limitations of large charge-discharge over-potentials, poor Columbic efficiency and cycling performance. Exploring of high-efficiency, low-cost and eco-friendly catalysts is one of the vital issues for lithium-air batteries. Meanwhile, electrospinning techniques have been under substantial developments due to its simple fabrication process, high efficiency and production. This paper reviews the recent progresses in fabrications of various novel catalysts for lithium-air batteries with electrospinning techniques, …