Physical Sciences and Mathematics Commons^™

The Mechanism And Crystal Structure Of 2-Methoxy-2-Methyl-4-Phenyl-3,4,4a, 10b-Tetrahydro-2h,5h-Pyrano[3,2-C]Chromen-5-One. Acetal Of Warfarin Acid, Saira Shahzadi, Saqib Ali, Irum Asif, Rizwana Ashraf, Guo-Xin Jin

Turkish Journal of Chemistry

Acetal of warfarin acid has been synthesized via a hemi acetal intermediate and structurally characterized by X-ray diffraction. The crystal structure shows that the title compound was formed by the hydrolysis of warfarin acid in methanol at pH 3, with space group P2_1/n and unit cell parameters a = 5.859 (17), b =16.745 (5), c = 16.402 (5) Å, \alpha = 90.00; \beta = 94.853 (4), and \gamma = 90.00°.

Cerium(Iii) Ion-Selective Electrodes Based On 1,4,7-Trithiacyclononane, Hamid Reza Pouretedal, Abolfazl Semnani, Mohammad Hossein Keshavarz

Turkish Journal of Chemistry

Novel plasticized polymeric membrane (PPME) and coated platinum wire (CPWE) electrodes based on 1,4,7-trithiacyclononane and oleic acid, as a good lipophilic additive for highly selective determination of Ce^{3+} ions, have been developed. The electrodes exhibit a Nernstian slope of 19.4 mV/decade (for both electrodes) over a wide Ce^{3+} ion concentration range, from 5.0 \times 10^{-6}-5.0 \times 10^{-2} M and 1.0 \times 10^{-7}-1.0 \times 10^{-2} M for PPME and CPWE, respectively. The limits of detection were 3.5 \times 10^{-6} and 8.0 \times 10^{-8} M for PPME and CPWE, respectively. The electrodes possess a fast response time of 15 s, can be …

Hydrothermal And Microwave-Assisted Synthesis Of Boroarsenate, Baso_4, Abdulhadi̇ Baykal, Ayten Evren

Turkish Journal of Chemistry

BAsO_4 was previously synthesized by solid-state reactions at 800 °C and was characterized by X-ray powder diffraction. Now, we succeeded in preparing BAsO_4 from H_3BO_3 and As_2O_5 using hydrothermal synthesis by heating at 160 °C for 3 days (a single-phase product) and using microwave-assisted synthesis, which takes only 5 min to transform a solid mixture of As_2O_5 and (NH_4)_2B_4O_7.4H_2O into the crystalline titled compound (a single-phase product). The crystallinity of the products is higher than that of the solid-state synthesized product given in the literature. Its X-ray powder diffraction patterns, and both Raman and IR spectra were in good agreement …

Synthesis, Spectroscopic (Ft-Ir, ^1h, ^{13}C, Mass Spectrometry), And Biological Investigation Of Five-Coordinated Germanium-Substituted Tricyclohexyl Antimony Dipropionates: Crystal Structure Of Tricyclohexylantimony Dibromide, Muhammad Kaleem Khosa, Muhammad Mazhar, Saqib Ali, Kieran C. Molloy, Sarim Dastgir, Farkhanda Shaheen

Turkish Journal of Chemistry

A series of five-coordinated germanium-substituted tricyclohexylantimony dipropionates have been synthesized and characterized by different instrumental techniques, such as elemental analyses, FT-IR, multinuclear NMR (^1H, ^{13}C) and mass spectrometry. These compounds have also been screened against different microbes and they showed good activity against different bacteria that was comparable to the reference drugs. The crystal structure of the precursor (C_6H_{11})_3SbBr_2 is reported here, which showed that the antimony atom in an asymmetric unit exists in trigonal bipyramidal geometry, having space group C2/c with the monoclinic crystal system.

The Effect Of Acid Digestion On The Recoveries Of Trace Elements: Recommended Policies For The Elimination Of Losses, Güler Somer, Arzu Nakişci Ünlü

Turkish Journal of Chemistry

Digestion of biological materials is very important for trace element determinations. Although the microwave technique is mostly used, there are cases where open wet digestion is needed. This study examined the optimum conditions for the minimum loss of trace elements during the wet digestion of a sample. The effect of acid composition and digestion time for about 21 ions was investigated. The trace element concentrations were determined by differential pulse polarography. For the digestion procedure, a HClO_4-HNO_3 mixture was used for the first step and, after its evaporation (60 min), HCl was added as the second step, since in some …

Template Synthesis And Structural Characterization Of Homo Binuclear Chromium(Iii), Manganese(Iii), Iron(Iii), Cobalt(Iii), And Ruthenium(Iii) Complexes With Octaazamacrocyclic Ligands, Vinod K. Sharma, Shipra Srivastava

Turkish Journal of Chemistry

The Schiff base octaazamacrocyclic ligands derived from primary diamines and 3,6-dimethyl/diphenyl-4,5-diazaocta-3,5-diene-2,7-dione, and their binuclear complexes [M_2LCl_4]Cl_2 [M = Cr(III), Fe(III), Co(III), or Ru(III)] and [Mn_2L(AcO)_4](AcO)_2 were synthesized by template condensation reactions. Attempts to synthesize the corresponding metal-free macrocyclic ligands did not prove successful. The overall geometry and stereochemistry of these complexes were elucidated by elemental analyses, magnetic susceptibilities, electronic spectra, infrared spectra, molar conductance measurements, ^1H NMR, and thermogravimetric analysis. All the trivalent metal ion complexes appear to be 1:2 electrolytes. An octahedral geometry is proposed for all the complexes.

Novel Derivatizing Agents For The Determination Of Methylmercury By Gas Chromatography Using Electron Capture Detection, Crystal Marie Irwin

Dissertations, Theses, and Masters Projects

No abstract provided.

Automated Peak Identification For Time -Of -Flight Mass Spectroscopy, Haijian Chen

Dissertations, Theses, and Masters Projects

The high throughput capabilities of protein mass fingerprints measurements have made mass spectrometry one of the standard tools for proteomic research, such as biomarker discovery. However, the analysis of large raw data sets produced by the time-of-flight (TOF) spectrometers creates a bottleneck in the discovery process. One specific challenge is the preprocessing and identification of mass peaks corresponding to important biological molecules. The accuracy of mass assignment is another limitation when comparing mass fingerprints with databases.;We have developed an automated peak picking algorithm based on a maximum likelihood approach that effectively and efficiently detects peaks in a time-of-flight secondary ion …

Spectroscopic Investigation Of Metal-Substitution Of Cytochrome C, Deepthi Kandi

Masters Theses

No abstract provided.

The Study Of Carbon Acylation Of Highly Delocalized Enolates Using Catalytic Dmap On 3-Phenyl Benzofuranone Derivatives, Xiguang Zhao

Masters Theses

No abstract provided.

High-Resolution Raman Spectra With Femtosecond Pulses: An Example Of Combined Time- And Frequency-Domain Spectroscopy, Sukhendu Nath, Diana Urbanek, Sean Kern, Mark Berg

Sean J. Kern

Frequency-domain spectroscopy requires long pulses, whereas time-domain spectroscopy requires short pulses. This Letter demonstrates both theoretically and experimentally that simultaneous detection in frequency and time generates well-resolved spectra using intermediate-length pulses. In the case of coherent Raman spectroscopy, typical femtosecond pulses lie between the time and frequency domains. To demonstrate this method, a high-resolution Raman spectrum of nitrobenzene is obtained from 60 fs pulses. Phase control, pulse shaping, or pulses of widely differing duration are not required.

Projects That Assist With Content In A Traditional Organic Chemistry Course, John Esteb, John Magers, Luanne Mcnulty, Anne Wilson

John Esteb

Projects that engage undergraduate students in content-based courses, such as organic chemistry, must relate to the material and provide useful tools for the divergent needs of the students. There are few examples of these types of projects in the literature. Herein, we describe two projects, the reaction notebook and the end-of-semester synthesis activity. Each project is designed to stimulate student ownership of the material and leads to engagement with the content of the course.

Note: Link is to the article in a subscription database available to users affiliated with Butler University. Appropriate login information will be required for access. Users …

Kinetic Deuterium Isotope Effects On The Reactions Of 2-(4-Methoxyphenyl)Oxirane In Water Solutions, Ram Mohan, Victoria Ukachukwu, Dale Whalen

Ram S. Mohan

The rates of reaction of 2-(4-methoxyphenyl)oxirane (4-methoxystyrene oxide), trans-3-deutereo-2-(4-methoxyphenyl)oxirane and 3,3-dideutereo-2-(4-methoxyphenyl)oxirane in water solutions were measured as functions of pH. Kinetic deuterium isotope effects for the reactions of the mono- and di-deuterated (4-methoxyphenyl)oxiranes were determined for both the acid-catalyzed hydrolysis to diols and the pH-independent reactions leading mostly to rearranged aldehyde and involving a 1,2-hydrogen migration. The inverse kinetic deuterium isotopes for acid-catalyzed hydrolyses of the deuterated (4-methoxyphenyl)oxiranes to diols are consistent with rate-limiting epoxide ring opening. The magnitudes of the normal kinetic deuterium isotope effects on the pH-independent reactions of deuterated 4-methoxyphenyloxiranes are significantly smaller than the deuterium …

Preparation Of Conducting Polyaniline/Nylon 6 Blend Fiber By Wet Sppinning Technique, A Mirmohseni, D Salari, Reza Nabavi

Seyed Reza nabavi

No abstract provided.

Policy Challenges From The "White" Senate Inquiry Into Workplace-Related Health Impacts Of Toxic Dusts And Nanoparticles, Thomas A. Faunce, Haydn Walters, Trevor Williams, David Bryant, Martin Jennings, Bill Musk

Thomas A Faunce

On 22 June 2005 the Senate of the Commonwealth of Australia voted to establish an inquiry into workplace harm related to toxic dust and emerging technologies (including nanoparticles). The inquiry became known as the "White" Inquiry after Mr Richard White, a financially uncompensated sufferer of industrial sandblasting-induced lung disease who was instrumental in its establishment. The "White" Inquiry delivered its final report and recommendations on 31 May 2006. This paper examines whether these recommendations and their implementation may provide a unique opportunity not only to modernize relevant monitoring standards and processes, but related compensation systems for disease associated with workplace-related …

Characterization Of Violet Emission From Rb Optical Pumping Cells Used In Laser-Polarized Xenon Nmr Experiments, Indrajit Saha, Panayiotis Nikolaou, Nicholas Whiting, Boyd M. Goodson

Nicholas Whiting

Synthesis And Spectral Studies Of A Novel 20-Membered Unsymmetrical Dinucleating [N8] Macrocycle And Its Bimetallic Complexes, M2lcln(Clo4)2 (N = 2, M = Co, Ni Or Cu; N = 4, M = Cr Or Fe), Mohammad Mansoob Khan Dr, Z. A. Siddiqi Dr

Dr. Mohammad Mansoob Khan

A 20-membered octaaza unsymmetrical Schiff base macrocycle, 6,10,16,20-tetramethyl-7,9,17,19-tetraphenyl [1,5,7,9,11,15,17,19]octaazacycloeicosa-5,10,15,20-tetraene dihydroperchlorate, has been obtained as an...

Exchange Coupling And Contribution Of Induced Orbital Angular Momentum Of Low-Spin Fe^3+ Ions To Magnetic Anisotropy In Cyanide-Bridged Fe2m2 Molecular Magnets: Spin-Polarized Density-Functional Calculations, Stephen Holmes, Kyungwha Park

Stephen Holmes

1,4,10,13-Tetra­Oxa-7,16-Diazo­Niacyclo­Octa­Decane Bis­(Hexa­Fluoro­Phosphate): Pf6− Acting As A Pseudohalide, Daron E. Janzen, Maikel E. Botros, Gregory P. Helton, Donald G. Vanderveer, Gregory J. Grant

Daron E Janzen, Ph.D.

No abstract provided.

Progress Towards The Stereoselective Synthesis Of Korupensamine A, Andrew A. Lover

Andrew Lover

Cu2O(1 1 0) Formation On Co3O4(1 1 0) Induced By Copper Impurity Segregation, S. C. Petitto, Marjorie Langell

Marjorie A. Langell Publications

The surface crystal structure of the Co₃O₄(1 1 0) spinel was characterized by low energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), and Auger electron spectroscopy (AES). Well-defined LEED diffraction patterns showed an unreconstructed Co₃O₄(1 1 0) surface in Type A termination, and XPS and Auger indicated the surface to be stoichiometric with octahedral and tetrahedral cation sites occupied by 3+ and 2+ cations, respectively. The experimental lattice parameters of 8.22 Å ± 0.2 Å and 5.50 Å ± 0.2 Å in the (0 0 1) and (1¯ 1 0) directions, respectively, …

The Mechanism Of Membrane Targeting Of Human Sphingosine Kinase 1, Robert V. Stahelin, Jeong H. Hwang, Jin-Hahn Kim, Zee-Yong Park, Korey R. Johnson, Lina M. Obeid, Wonhwa Cho

Faculty Publications & Research

Sphingosine 1-phosphate is a bioactive sphingolipid that regu- lates cell growth and suppresses programmed cell death. The bio- synthesis of sphingosine 1-phosphate is catalyzed by sphingosine kinase (SK) but the mechanism by which the subcellular localization and activity of SK is regulated in response to various stimuli is not fully understood. To elucidate the origin and structural determi- nant of the specific subcellular localization of SK, we performed biophysical and cell studies of human SK1 (hSK1) and selected mutants. In vitro measurements showed that hSK1 selectively bound phosphatidylserine over other anionic phospholipids and strongly preferred the plasma membrane-mimicking membrane to …

(E)-9,10-Dihydro-9-Methyl-9-Nitro-10-(Trinitro­Meth­Yl)Anthracene, Mustafa Arslan, Ronald J. Baker, John Masnovi, Erol Asker

Chemistry Faculty Publications

The title compound, C₁₆H₁₂N₄O₈, was prepared by the photochemical reaction of 9-methyl­anthracene and tetra­nitro­methane in dichloromethane. Intermolecula face-to-face π–π stacking inter­actions are present along the a axis.

Kondo Resonances And Anomalous Gate Dependence In The Electrical Conductivity Of Single-Molecule Transistors, L H. Yu, Z K. Keane, Jacob W. Ciszek, L Cheng, J M. Tour, T Baruah, M R. Pederson, D Natelson

Chemistry: Faculty Publications and Other Works

We report Kondo resonances in the conduction of single-molecule transistors based on transition metal coordination complexes. We find Kondo temperatures in excess of 50 K, comparable to those in purely metallic systems. The observed gate dependence of the Kondo temperature is inconsistent with observations in semiconductor quantum dots and a simple single-dot-level model. We discuss possible explanations of this effect, in light of electronic structure calculations.

Discovery And Characterization Of The Cryptic Psi Subunit Of The Pseudomonad Dna Replicase, Thale C. Jarvis, Amber A. Beaudry, James M. Bullard, Urs Ochsner, H. Garry Dallmann, Charles S. Mchenry

Chemistry Faculty Publications and Presentations

We previously reconstituted a minimal DNA replicase from Pseudomonas aeruginosa consisting of α and ϵ (polymerase and editing nuclease), β (processivity factor), and the essential τ, δ, and δ′ components of the clamp loader complex (Jarvis, T., Beaudry, A., Bullard, J., Janjic, N., and McHenry, C. (2005) J. Biol. Chem. 280, 7890-7900). In Escherichia coli DNA polymerase III holoenzyme, χ and Ψ are tightly associated clamp loader accessory subunits. The addition of E. coli χΨ to the minimal P. aeruginosa replicase stimulated its activity, suggesting the existence of χ and Ψ counterparts in P. aeruginosa. The P. aeruginosa χ …

Estimation Of Iron Solubility From Observations And A Global Aerosol Model, Chao Luo, N. M. Mahowald, N. Meskhidze, Y. Chen, R. L. Siefert, A. R. Baker, Anne M. Johansen

All Faculty Scholarship for the College of the Sciences

Mineral aerosol deposition is the dominant source of iron to the open ocean. Soil iron is typically insoluble and understanding the atmospheric processes that convert insoluble iron to the more soluble forms observed over the oceans is crucial. In this paper, we model several proposed processes for the conversion of Fe(III) to Fe(II), and compare with cruise observations. The comparisons show that the model results in similar averaged magnitudes of iron solubility as measured during 8 cruises in 2001–2003. Comparisons show that results of cases including cloud, SO₂ and hematite processing are better than the other approaches used using …

Intrinsic Conformational Preferences Of Substituted Cyclohexanes And Tetrahydropyrans Evaluated At The Ccsd(T) Complete Basis Set Limit: Implications For The Anomeric Effect, Abby Jones Weldon, Trisha L. Vickrey, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

A series of MP2 and CCSD(T) computations have been carried out with correlation consistent basis sets as large as aug-cc-pV5Z to determine the intrinsic equatorial-axial conformational preference of CH 3-, F-, OCH 3-, and OH-substituted cyclohexane and tetrahydropyran rings. The high-accuracy relative electronic energies reported here shed new light on the intrinsic energetics of these cyclic prototypes for the anomeric effect. At the CCSD(T) complete basis set (CBS) limit, the energy of the equatorial conformation relative to the axial position (ΔE CCSD(T)CBC) is -0.75, -0.20, -0.21, and -0.56 kcal mol -1 in methyl-, fluoro-, methoxy-, and hydroxy cyclohexane, respectively, while …

Photochemical Reactions Of Optically Active Chiral And Achiral Organic Materials, Nicie Conley Murphy

Doctoral Dissertations

Sodium chlorate, NaClO₃, which crystallizes in the space group P2₁3, forms optically active crystals upon crystallization although the molecule itself is achiral. NaClO₃, has been shown to produce an asymmetric distribution of (+) and (-) crystals when crystallized from water while stirring. It has been discovered that beta or positron radiation can also induce asymmetric crystallization in NaClO₃ solutions. Like NaClO₃, achiral 4,4’-dimethylchalcone crystallizes in enantiomeric forms in the space group P2₁3. Kondepudi et al. provided evidence that stirred crystallizations of 4,4’-dimethylchalcone can induce a bimodal distribution of …

Interdisciplinary Approaches To New Chemical Analysis, David Lynn Rodman

Doctoral Dissertations

The primary focus of this dissertation is the development of new chemical analyses for inorganic, organic, and organometallic compounds. Interdisciplinary approaches combining analytical, polymer, inorganic, organic, and materials chemistry have been used to develop new analytical methods. Topics discussed in this dissertation include the development of a sol-gel based metal ion sensor, photochemical oxidation of a biomimetic Cr(III) complex, photochemical oxidation of organic ligands and other interferences in model Pd catalyst complexes, modified Fujiwara reactions for the detection of halogenated hydrocarbons, and the development of a controlled-release polymer for delivery of reagents needed for chemical sensing applications.

Structural And Spectroscopic Studies Of Transition Metal Organometallic And Coordination Complexes With Reference To Catalysis, Megan Taliaferro Bragg

Doctoral Dissertations

Inorganic chemistry encompasses a variety of topics and in many ways, these advances affect a wider sphere of chemists than purely inorganic and progress in this field is interesting to many scientists. The developments presented in this dissertation are significant as they affect three issues: catalytic reactivity, ligand fluxionality, and catalyst development. Catalysis affects industrial profit, pharmaceutical development, agrochemical synthesis, spectroscopy, enzymatic activity, and polymerization.

Progress in certain areas such as the [Cp*Rh(TsDPEN)] (TsDPEN = p-toluenesulfonyldiphenylethylenediamine) has lead to a moiety that is a powerful and efficient catalyst for the reduction of C=N bonds. The precise mechanism of the …