Physical Sciences and Mathematics Commons^™

Manipulating The Cavity Of A Porous Material Changes The Photoreactivity Of Included Guests, Mahender B. Dewal, Yuewen Xu, Jun Yang, Fiaz Mohammed, Mark D. Smith, Linda S. Shimizu

Faculty Publications

Changing an ether to a ketone within the framework of a bis-urea macrocycle has little effect on the supramolecular assembly of this building block into porous crystals but introduces a triplet sensitizer into the framework that dramatically alters the photochemical reactions of included guests.

Reactivity Of Ptii "Pincer" Complexes With Carbon Monoxide, Margaret L. Scheuermann

Scripps Senior Theses

ABSTRACT Upon addition of carbon monoxide (CO) to a solution of (k-N, C, N-2, 6-bis(diethylaminomethyl)-phenyl)methyl platinum(II),[NCN]PtMe,(1), a ligand arm is displaced to form [SP-4-2] ((k-N,C-2,6-bis(diethylaminomethyl)-phenyl) carbonmethyl platinum(II), N[CN]Pt(CO)(Me),(2). Addition of CO to a THF solution of 2 results in the formation of [SP-4-3]((k-N,C-2,6-bis(diethylaminomethyl)-phenyl)acylcarbonyl platinum(II),N[CN]pt(Ac)(CO),(3). In THF ,2 partially isomerizes in the presence of CO to form [SP-4-4]((k-N,C-2,6-bis(diethylaminomethyl)-phenyl)carbonylmethyl platinum(II), N[CN]Pt(Me)(CO).(2’).in equilibrium with 2(K=ca.2 at 100 degree celcius). In the absence of CO, only trace isomerization was observed. Thermolysis of 3 results in the formation of 2 and 2’ , while a reaction of 3 with trimethylamine N-oxide results exclusively in the …

The Equation, Spring 2008, College Of Science And Mathematics, Wright State University

College of Science and Mathematics Newsletters

This 4 page newsletter discusses various happenings within the College of Science and Mathematics. It begins with a letter from the dean, and continues on with news, events, alumni news, and other community news.

Validation Of Hno3, C1ono2, And N2o5 From The Atmospheric Chemistry Experiment Fourier Transform Spectrometer (Ace-Fts), M A. Wolff, T Kerzenmacher, K Strong, K A. Walker, M Toohey, E Dupuy, P F. Bernath, C Boone, S Brohede, V Catoire, T Von Clarmann, M Coffey, W Daffer, M De Maziere, P Duchatelet, N Glatthor, David W. Griffith, J Hannigan, F Hase, M Hopfner, N Huret, Nicholas B. Jones, K W. Jucks, A. Kagawa, Y Kasai, I Kramer, H Kullmann, J Kuttippurath, E Mahieu, G L. Manney, Christopher Mcelroy, C Mclinden, Y Mebarki, S Mikuteit, D Murtagh, C Piccolo, P Raspollini, M Ridolfi, R Ruhnke, M Santee, C Senten, D Smale, C Tetard, J Urban, S Wood

Faculty of Science - Papers (Archive)

The Atmospheric Chemistry Experiment (ACE) satellite was launched on 12 August 2003. Its two instruments measure vertical profiles of over 30 atmospheric trace gases by analyzing solar occultation spectra in the ultraviolet/visible and infrared wavelength regions. The reservoir gases HNO₃, ClONO₂, and N₂O₅ are three of the key species provided by the primary instrument, the ACE Fourier Transform Spectrometer (ACE-FTS). This paper describes the ACE-FTS version 2.2 data products, including the N₂O₅ update, for the three species and presents validation comparisons with available observations. We have compared volume mixing ratio …

Classification Of Chemical Reactions: Stages Of Expertise, Marilyne Stains, Vicente Talanquer

Chemistry Department: Faculty Publications

In this study we explore the strategies that undergraduate and graduate chemistry students use when engaged in classification tasks involving symbolic and microscopic (particulate) representations of different chemical reactions. We were specifically interested in characterizing the basic features to which students pay attention when classifying chemical reactions at the symbolic and microscopic levels. We identified the categories that students create when classifying chemical reactions, and compared the performance in simple classification tasks of students with different levels of preparation in the discipline. Our results suggest that advanced levels of expertise in chemical classification do not necessarily evolve in a linear …

Solution Processible Aromatic Polyimides Via Diels Alder Precursor, Saral Shah

Electronic Theses and Dissertations

Aromatic polyimides are interesting materials since they possess outstanding key properties such as thermoxidative stability, high mechanical strength, high modulus, excellent electrical properties, and superior chemical resistance. However, their low solubility makes them difficult to characterize, process and obtain high molecular weight polymer. In this report, we synthesized a series of precursor polymers that contains Diels-Alder (DA) adducts of anthracene. Different dienophiles were tried. These precursor polymers are soluble in common organic solvents such as chloroform and can be easily processed to thin films. Heating the film above 215 degree induce retro-DA reaction, which generated the fully aromatic polyimides in …

Validation Of No2 And No From The Atmospheric Chemistry Experiment (Ace), Nicholas B. Jones, David W. Griffith, M Wolff, L Llewellyn, T Blumenstock, Christopher Mcelroy, M Hopfner, T Kerzenmacher, I Kramer, K Strong, Cassandra Haley, J R. Taylor, Thorsten Warneke, D Murtagh, E Dupuy, V Catoire, N Huret, C Brogniez, G L. Manney, C Piccolo, C Randall, C Tetard, M Lopez-Puertas, James Drummond, C Boone, B Funke, M Schneider, S Mikuteit, G P. Stiller, K A. Walker, P Bernath, O Schrems, P Raspollini, C Mclinden, S Brohede, M Toohey, M Ridolfi, J Dodion, F Vanhellemont, R L. Batchelor, J P. Burrows, J Kar, L K. Amekudzi, S Melo, F Goutail, C Bramstedt, D G. Dufour, M Silicani, J M. Zawodny, A Richter, G Berthet, F Nichitiu, J-P Pommereau, C Nowlan, D Fussen, J Zou, Irwin S. Pakula, Justus Notholt

Faculty of Science - Papers (Archive)

Vertical profiles of NO2 and NO have been obtained from solar occultation measurements by the Atmospheric Chemistry Experiment (ACE), using an infrared Fourier Transform Spectrometer (ACE-FTS) and (for NO2) an ultraviolet-visible-near-infrared spectrometer, MAESTRO (Measurement of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation). In this paper, the quality of the ACE-FTS version 2.2 NO2 and NO and the MAESTRO version 1.2 NO2 data are assessed using other solar occultation measurements

(HALOE, SAGE II, SAGEIII, POAMIII, SCIAMACHY), stellar occultation measurements (GOMOS), limb measurements (MIPAS, OSIRIS), nadir measurements (SCIAMACHY), balloon-borne measurements (SPIRALE, SAOZ) and ground-based measurements (UV-VIS, FTIR). Time differences …

Poly[(Nitrato-KO)Tris((Μ3-1h-1,2,4-Triazolato)Dizinc(Ii)]: A Three-Dimensional Coordination Polymer, Josephy M. Ellsworth, Mark D. Smith, Hans-Conrad Zur Loye

Faculty Publications

In the title compound, [Zn₂(C₂H₂N₃)₃(NO₃)], there are two unique Zn atoms, both with site symmetry m. One forms a ZnN₃O tetrahedron and the other a ZnN₆ octahedron. One and a half 1H-1,2,4-triazolate ligands, with the half-ligand located on a mirror plane, and a disordered nitrate anion complete the asymmetric unit of the structure. The polymeric connectivity is three-dimensional.

Structural Characterization Using The Multiple Scattering Effects In Grazing-Incidence Small-Angle X-Ray Scattering, Byeongdu Lee, Chieh-Tsung Lo, P. Thiyagarajan, Dong R. Lee, Zhongwei Niu, Qian Wang

Faculty Publications

The multiple scattering effects present in grazing-incidence small-angle X-ray scattering (GISAXS) data and interference between them are addressed theoretically as well as experimentally with measurement of a series of patterns at different incident angles, referred to as `incident-angle-resolved GISAXS' (IAR-GISAXS). X-ray reflectivity (XR), GISAXS and IAR-GISAXS of virus particles on Si-substrate supported-polystyrene films have been measured and all the data have been analyzed with appropriate formalisms. It was found that under certain conditions it is possible to extract the correct structural features of the materials from the GISAXS/IAR-GISAXS data using the kinematic SAXS formalisms, without the need to use the …

Modification Of Carboplatin By Jurkat Cells, Anthony J. Di Pasqua, Jerry Goodisman, Deborah J. Kerwood, James C. Dabrowiak, Bonnie B. Toms

Chemistry - All Scholarship

Using [¹H,¹⁵N] heteronuclear single quantum coherance (HSQC) NMR and ¹⁵N-labeled carboplatin, 1, we show that Jurkat cells affect the rate of disappearance of the HSQC NMR peak in culture medium for this Pt²⁺ anticancer drug. The decay or disappearance rate constant for 1 in culture medium containing cells is k1=kc[CO32-]+km+kuN, where k_c is the rate constant for reaction of 1 with carbonate in the medium, k_m is the rate constant for reaction of 1 with all other components of the medium, and k_u is the rate constant for reaction of …

Inclusion Of Electrochemically Active Guests By Novel Oxacalixarene Hosts, Daniel Sobransingh, Mahender B. Dewal, Jacob Hiller, Mark D. Smith, Linda S. Shimizu

Faculty Publications

We demonstrate for the first time the utility of oxacalixarenes as hosts and investigate the forces that influence the thermodynamics of binding.

Poly[Μ2-Nitrato-(Μ4-Pyrazine-2-Carboxylato)Disilver(I)], Kathryn L. Seward, Joseph M. Ellsworth, Zeeshan M. Khaliq, Hans-Conrad Zur Loye

Faculty Publications

The title compound, [Ag₂(C₅H₃N₂O₂)(NO₃)]_n, is a three-dimensional coordination polymer containing two-dimensional slabs held together by bridging nitrate groups. AgNO₄ and AgNO₅ silver coordination polyhedra arise. Weak argentophilic interactions [AgAg = 3.0686 (7) Å] occur in the crystal structure.

Interview With Paul Fischer, Professor Of Chemistry, Paul Fischer

Chemistry Department Oral Histories

No abstract provided.

Interview With Emil Slowinski, Dewitt Wallace Professor Of Chemistry, Emil Slowinski

Chemistry Department Oral Histories

No abstract provided.

Dna-Templated Nanomaterials, Hector Alejandro Becerril-Garcia

Theses and Dissertations

Nanomaterials display interesting physical and chemical properties depending on their shape, size and composition. Self assembly is an intriguing route to producing nanomaterials with controllable compositions and morphologies. DNA has been used to guide the self assembly of materials, resulting in: (1) metal nanowires; (2) metal or semiconductor nanorods; (3) carbon nanotubes; and (4) semiconductor, metal or biological nanoparticles. My work expands the range of DNA templated nanomaterials and develops novel ways of using DNA to pattern nanostructures on surfaces. I have performed the first synthesis of silver nanorods on single stranded DNA, an attractive material for localizing DNA coupled …

Computation Of Correlation Functions And Wave Function Projections In The Context Of Quantum Trajectory Dynamics, Sophya Garashchuk

Faculty Publications

The de Broglie-Bohm formulation of the Schrödinger equation implies conservation of the wave function probability density associated with each quantum trajectory in closed systems. This conservation property greatly simplifies numerical implementations of the quantum trajectory dynamics and increases its accuracy. The reconstruction of a wave function, however, becomes expensive or inaccurate as it requires fitting or interpolation procedures. In this paper we present a method of computing wave packet correlation functions and wave function projections, which typically contain all the desired information about dynamics, without the full knowledge of the wave function by making quadratic expansions of the wave function …

Trisodium Dicalcium Bismuth Hexaoxide, Irina V. Puzdrjakova, Rene B. Macquart, Mark D. Smith, Hans-Conrad Zur Loye

Faculty Publications

Single crystals of the title compound, Na₃Ca₂BiO₆, were grown from a high-temperature reactive flux solution of Na₂CO₃. Na₃Ca₂BiO₆ crystallizes as an ordered rock-salt structure (space group Fddd), in which the octahedral holes in the oxide array are filled by an ordered 3:2:1 arrangement of Na⁺, Ca²⁺ and Bi⁵⁺ cations. All atoms except for one O atom lie on special positions; site symmetries are as follows: Bi 222, Ca 2, Na 222 and 2, O 2.

Poly[Diaqua(Μ4-3-Fluorophthalato-Κ4O:O:O':O'')Cadmium(Ii)], Diana Rishmawi, Katie Lewis, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

The crystal structure of the title compound, [Cd(C₈H₃FO₄)(H₂O)₂]_n, consists of polymeric sheets formed by the bridging of octahedrally coordinated Cd^II by carboxylate O atoms of the 3-fluorophthalate (3-fpt^2-) ligand. The layers exhibit hydrogen bonding between each of two coordinated water molecules and two O atoms of the ligand. Adjacent sheets are connected through - interactions.

Catena-Poly[[Bis(Α-Thenoyltrifluoroacetonato-Κ2O,O')Copper(Ii)]-Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene-Κ2N:N'], William J. Perkins, Tamar Maxwell, Ken B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

The title compound, [Cu(C₈H₄F₃O₂S)₂(C₁₂H₁₀N₄)]_n or [Cu(tta)₂(L2)₂]_n (L2 = 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene and tta = -thenoyltrifluoroacetonate), consists of undulating chains containing two crystallographically distinct Cu^II centers that are each located on inversion centers. Each Cu^II center exhibits distorted octahedral coordination provided by two pyridyl N atoms from two equivalent L2 ligands and four O atoms from two equivalent tta ligands. The chains interact through weak C-FH-C contacts.

Catena-Poly[[Diaquadinitratozinc(Ii)]Bis(Μ-1,4-Di-3-Pyridyl-2,3-Diaza-1,3-Butadiene)], Shakoya Paulin, Pierre Kelly, Kenneth B. Williams, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

The polymeric title complex, [Zn(NO₃)₂(C₂₄H₂₀N₈)(H₂O)₂]_n, features distorted ZnN₂O₄ octahedra with each Zn^II atom being located on an inversion center. Adjacent Zn ions are doubly bridged by two equivalent 1,4-di-3-pyridyl-2,3-diaza-1,3-butadiene ligands to form linear chains.

The Equation, Winter 2007, College Of Science And Mathematics, Wright State University

College of Science and Mathematics Newsletters

This 26 page newsletter discusses various happenings within the College of Science and Mathematics. It begins with a letter from the dean, and continues on with news, events, alumni news, and other community news.

Wet And Dry Aging Of Polymer-Asphalt Blends: Chemistry And Performance, Ionela Chiparus Glover

LSU Doctoral Dissertations

A PG 76-22 Polymer Modified Asphalt Cement composition was subjected in the laboratory to accelerated aging using both a standard Thin Film Oven Test and a Pressure Aging Vessel. Conditions simulating wet atmospheres (PAV in saturated water vapors) as well as very long service terms (multiple dry and wet PAV operations) were studied. A Rotating Cylinder Aging Test has been employed as an alternate asphalt aging technique using the same PMAC composition in order to observe the initial phases of the oxidative aging process. The data provided by this technique was correlated with the actual aging in the field of …

Identification And Characterization Of A New Tubulin-Binding, Susan L. Mooberry, Kimberly N. Weiderhold, Sivanesan Dakshanamurthy, Ernest Hamel, Edith J. Banner, Anastasia Kharlamova, Jonathan Hempel, John T. Gupton, Milton L. Brown

Chemistry Faculty Publications

We studied the mechanism of action of 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylic acid ethyl ester (JG-03-14) and found that it is a potent microtubule depolymerizer. JG-03-14 caused a dose-dependent loss of cellular microtubules, formation of aberrant mitotic spindles, accumulation of cells in the G₂/M phase of the cell cycle, and Bcl-2 phosphorylation. These events culminated in the initiation of apoptosis, as evidenced by the caspase 3-dependent cleavage of poly(ADP-ribose) polymerase (PARP). JG-03-14 has antiproliferative activity against a wide range of cancer cell lines, with an average IC₅₀ value of 62 nM, and it is a poor substrate for transport …

Hydromination Of Alkynes, Enynes, And Dienes Using Titanium Catalysts, Taryn Palluccio

Undergraduate Review

No abstract provided.

Laser Initiated Chain Reactions: The Kinetics Of The Chlorine/Cyclohexane/Oxygen Chain System, Robert Alan Forlines

Browse all Theses and Dissertations

The combination of laser photolysis with infrared chemiluminescence detection has proven an effective technique for determining the propagation rate coefficients of halogen + RH chain reactions. This thesis will extend the technique to cyclic alkanes by determining the propagation rate coefficients of the Cl₂/ cyclohexane chain system as well as the rate coefficient for the primary chain termination mechanism, R + O₂ → RO₂. The following reaction scheme is supported by the kinetic analysis: Cl₂ → 2Cl Laser Photolysis Cl + RH → HCl(v) + R First Propagation Step (k₁) R + …

Surge Of Green: A Sustainable Approach To Conductive Polymers, Bethany Masten

Undergraduate Review

No abstract provided.

Tetrakis(N-Ethyl-9-Oxo-4-Azonia-5-Aza-9h-Fluorene) Tetra-Μ3-Iodo-Hexa-Μ2-Iodo-Dodecaiodohexabismuthate, Meredith A. Tershany, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

The new iodobismuthate compound (C₁₃H₁₁N₂O)₄[Bi₆I₂₂] has been synthesized solvothermally by reacting BiI₃, Zn(NO₃)₂·6H₂O and 4,5-diazafluoren-9-one in a water/ethanol solvent mixture. The asymmetric unit of the compound contains two independent [N-ethyl-4,5-dafo]⁺ cations and one-half of a centrosymmetric [Bi₆I₂₂]^4- anion. The average terminal Bi-I, Bi-₂-I and Bi-₃-I bond lengths in the anion are 2.8923 (2), 3.1403 (2) and 3.3022 (2) Å, respectively.

Tetrakis[2-(2-Pyridyl)Pyridinium] Tetra-Μ3-Iodo-Hexa-Μ2-Iodo-Dodecaiodohexabismuthate And Bis[Tris(2,2'-Bipyridine)Ruthenium(Ii)] Di-Μ4-Iodo-Octa-Μ2-Iodo-Dodecaiodohexabismuthate, Andrea M. Goforth, Meredith A. Tershansy, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

Crystals of the title compounds were grown solvothermally in an ethanol-water solvent mixture using ruthenium triiodide, 2,2'-bipyridine and bismuth triiodide as starting materials. Tetrakis[2-(2-pyridyl)pyridinium] tetra-₃-iodo-hexa-₂-iodo-dodecaiodohexabismuthate, (C₁₀H₉N₂)₄[Bi₆I₂₂], crystallizes in the triclinic space group P and is the major reaction product. The asymmetric unit of this compound consists of half a centrosymmetric [Bi₆I₂₂]^4- anion and two independent 2,2'-bipyridinium cations. The minor product of the reaction is bis[tris(2,2'-bipyridine)ruthenium(II)] di-₄-iodo-octa-₂-iodo-dodecaiodohexabismuthate, [Ru(C₁₀H₈N₂)₃] …

Water Solubility Characteristics Of Hydrophobically Modified Polyethyleneimines, Jennifer N. Williams

Browse all Theses and Dissertations

Commercially available polyethyleneimines varying in molecular weights and viscosities were synthetically modified in order to increase their hydrophobicity when dissolved in water. Used as additives for inkjet industry inks, these polymers have been designed to promote interaction between formulated inks and paper, while increasing the water-fastness of these water-soluble inks once they are dried on bond paper. Waterfastness, the ability of an ink to maintain print integrity once it becomes wet, as well as optical density, solubility, pH, molecular weight, polydispersity and viscosity are amongst the characteristics analyzed. The modifications of these polyethyleneimines (PEis) with alkyl bromides and alkyl epoxides …

Photoreductive Dissolution Of Ferrihydrite By Methanesulfinic Acid: Evidence Of A Direct Link Between Dimethylsulfide And Iron-Bioavailability, Anne M. Johansen, Jennifer M. Key

All Faculty Scholarship for the College of the Sciences

Within open‐ocean regions where excess macronutrients are present, phytoplankton growth is limited by the bioavailability of iron supplied to these areas primarily within atmospheric aerosols of crustal origin. However, processes that control the abundance of biologically accessible iron in these aerosols are largely unknown. Here we show that dissolution of ferrihydrite, a surrogate iron(oxy)hydroxide phase found in atmospheric waters, is enhanced in the presence of methanesulfinic acid (MSIA, CH₃SO₂H, a dimethylsulfide (DMS) oxidation intermediate) in laboratory irradiation experiments with aqueous suspensions that simulate marine aerosol particles. The increased release of soluble Fe(II) is attributed to a …