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Articles 1 - 27 of 27
Full-Text Articles in Inorganic Chemistry
Synthesis, Structure And Magnetic Properties Of Oxy-Anion Based Magnetic Solids Containing Transition Metal Oxide Nanostructures, Kulugammana Gedera Ranmohotti
Synthesis, Structure And Magnetic Properties Of Oxy-Anion Based Magnetic Solids Containing Transition Metal Oxide Nanostructures, Kulugammana Gedera Ranmohotti
All Dissertations
Inline with the focus of our research, my goal for this dissertation study is to further explore new classes of magnetic insulators exhibiting novel properties. The scope of this work is twofold: 1) the exploratory synthesis of polyanion-based mixed-framework compounds containing transition metal oxide magnetic nanostructures, and 2) the investigation of the structure/property correlation with respect to the spin couplings in confined lattices. These studies are of fundamental and technological importance regarding the long-term development of low-dimensional magnetic solids for device applications in especially information storage and quantum computing. Several interesting and significant transition metal based silicate, phosphate arsenate and …
Synthetic Complexes Of Relevance To Ni(Ii)-Containing Enzymes, Katarzyna Rudzka
Synthetic Complexes Of Relevance To Ni(Ii)-Containing Enzymes, Katarzyna Rudzka
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
The work outlined herein presents an investigation of synthetic model complexes of relevance to the active sites of Ni(II)-containing enzymes, particularly urease, glyoxalase I, and acireductone dioxygenase. The research focuses on studying the structural and reactivity features of nickel complexes with biologically relevant substrates. The anion of acetohydroxamic acid is a well-known inhibitor of urease enzymes, including those isolated from Klebsiella aerogenes and Bacillus pasteurii. A precursor to the acetohydroxamate coordination in ureases is proposed to be an interaction between Ni(II) and acetohydroxamic acid. By using a novel supporting chelate ligand capable of secondary hydrogen bonding interactions a novel …
Synthesis Of Large Crystal Transition Metal Substituted Zeolite Zsm-5, Tara L. Schaeffer, Scott Kirkby
Synthesis Of Large Crystal Transition Metal Substituted Zeolite Zsm-5, Tara L. Schaeffer, Scott Kirkby
Scott J. Kirkby
The Role Of Metal Coordnation In The Inhibition Of Iron(Ii)- And Copper(I)-Mediated Dna Damage By Organoselenium And Organosulfur Compounds, Erin Battin
All Dissertations
Copper and iron are two widely-studied transition metals associated with hydroxyl radical (OH) generation: Fe2+/Cu+ + H2O2 = Fe3+/Cu2+ + OH + OH-. Metal-mediated oxidative damage is a major cause of cellular DNA damage and death, and has been implicated in cancer, neurodegenerative, and cardiovascular diseases. Because sulfur and selenium antioxidants ameliorate oxidative damage, the ability of twenty biological sulfur- and selenium-containing compounds to inhibit metal-mediated DNA damage caused by hydroxyl radical has been quantified. In the Cu+/H2O2 system, six sulfur compounds and three selenium compounds inhibited DNA damage with IC50 values ranging from 3.3 to 25.5 μM. Several sulfur …
Effects Of Polyphenol Compounds On Iron-And Copper-Mediated Dna Damage: Mechanisms And Predictive Models, Nathan Perron
Effects Of Polyphenol Compounds On Iron-And Copper-Mediated Dna Damage: Mechanisms And Predictive Models, Nathan Perron
All Dissertations
Polyphenol compounds are widely recognized for their antioxidant activity; however, under some conditions these compounds can also exhibit prooxidant activity. This work examined the interactions of polyphenols with iron and copper to improve understanding of both their antioxidant and prooxidant effects. Polyphenols with catechol and gallol groups effectively inhibit iron-mediated oxidative DNA damage by chelating iron, with IC50 values ranging from 1-59 µM. Gallate compounds are more potent than their catecholate analogues in every instance, and their antioxidant potencies correlate to pKa values for the most acidic phenolic hydrogen. This correlation represents the first predictive model of …
Exploratory Synthesis Of New Open-Framework Iron (Ii,Iii)-Containing Polyanion Systems Targeted For Lithium-Ion Battery Applications, Gregory Becht
Exploratory Synthesis Of New Open-Framework Iron (Ii,Iii)-Containing Polyanion Systems Targeted For Lithium-Ion Battery Applications, Gregory Becht
All Dissertations
The chemistry demonstrated in this dissertation is concerned with the synthesis, structure, properties and applications of inorganic solids containing iron(II,II) redox centers. The endeavor in exploratory synthesis is due largely to the employment of molten salt fluxes such as alkali metal chloride. These halide-fluxes act in two parts; 1) as a solvent to lower the reaction temperature and 2) as an in situ source of unavailable alkali oxides through metathesis reactions. Using these halide fluxes has allowed for the discovery of several new transition metal-containing phosphates, arsenates, and vanadates for a structure/property correlation study. From this study the selected compounds …
Preparation Of Halogenated Derivatives Of Thiazolo[5,4-D]Thiazole Via Direct Electrophilic Aromatic Substitution, Vladimir Benin, Alan T. Yeates, Douglas Dudis
Preparation Of Halogenated Derivatives Of Thiazolo[5,4-D]Thiazole Via Direct Electrophilic Aromatic Substitution, Vladimir Benin, Alan T. Yeates, Douglas Dudis
Chemistry Faculty Publications
Chlorination and bromination reactions of thiazolo[5,4-d]thiazole led to the generation of its mono- and dihalogenated derivatives. These are the first instances of successful direct electrophilic aromatic substitution in the thiazolo[5,4-d]thiazole ring system. X-ray analysis demonstrates that both 2-bromothiazolo[5,4-d]-thiazole and 2,5-dibromothiazolo[5,4-d]thiazole are planar structures, with strongly manifested π-stacking in the solid state. Theoretical analysis of the pyridine-catalyzed halogenation (MP2/6-31+G(d) and B3LYP/6-31+G(d)calculations) reveals that introduction of one halogen actually leads to a slightly enhanced reactivity towards further halogenation. Several halogenation mechanisms have been investigated: 1) The direct C-halogenation with N-halopyridine as electrophile; …
Exploratory Synthesis Of Plyanion-Based Open-Framework Solids As Potential Candidates For Cathode Material Applications, Adam Siegfried
Exploratory Synthesis Of Plyanion-Based Open-Framework Solids As Potential Candidates For Cathode Material Applications, Adam Siegfried
All Theses
This thesis is concerned with exploratory synthesis of polyanion based open-framework solids that can potentially be used as cathode materials in lithium batteries. Two silver manganese vanadates were discovered, Ag3Mn(VO4)2 and AgMn2V3O10, which show different possibilities as cathode materials for primary battery applications; the former contains a higher (Ag+Mn)/V ratio, which is sought for high capacity devices, while the latter may prove better for lower power devices. The structures of the two materials differ in that Ag3Mn(VO4)2 is a layered material where as AgMn …
Dioxidobis(2-Oxo-1,2-Dihydropyridin-3-Olato)Molybdenum(Vi), Manoj Trivedi, Daya Pandey, Nigam Rath
Dioxidobis(2-Oxo-1,2-Dihydropyridin-3-Olato)Molybdenum(Vi), Manoj Trivedi, Daya Pandey, Nigam Rath
Chemistry & Biochemistry Faculty Works
In the title compound, [Mo(C5H4NO2)2O2], the MoVI atom exhibits a distorted octahedral coordination geometry formed by two terminal oxo ligands and two monoanionic O,O-bidentate pyridinone ligands. The two terminal oxo ligands lie in a cis arrangement, the ketonic O atoms of the pyridinone ligands are coordinated trans to the oxo ligands and the deprotonated hydroxyl O atoms are located trans to each other. The crystal structure contains intermolecular N-H...O hydrogen bonds, C-H...O contacts and face-to-face [pi]-[pi] stacking interactions with an interplanar separation of 3.25 (1) Å.
Dioxidobis(2-Oxo-1,2-Dihydropyridin-3-Olato)Molybdenum(Vi), Manoj Trivedi, Daya Shankar Pandey, Nigam P. Rath
Dioxidobis(2-Oxo-1,2-Dihydropyridin-3-Olato)Molybdenum(Vi), Manoj Trivedi, Daya Shankar Pandey, Nigam P. Rath
Nigam Rath
Equation Of State Of Gallium Oxide To 70 Gpa: Comparison Of Quasihydrostatic And Nonhydrostatic Compression, Kristina E. Lipinska-Kalita, Patricia Kalita, Oliver Hemmers, Thomas Hartmann
Equation Of State Of Gallium Oxide To 70 Gpa: Comparison Of Quasihydrostatic And Nonhydrostatic Compression, Kristina E. Lipinska-Kalita, Patricia Kalita, Oliver Hemmers, Thomas Hartmann
Environmental Studies Faculty Publications
Synchrotron x-ray diffraction and diamond-anvil cell techniques were used to characterize pressure induced structural modifications in gallium oxide. Gallium oxide was studied on compression up to 70 GPa and on the following decompression. The effect of the pressure-transmitting medium on the structural transformations was investigated in two sets of compression and decompression runs, one with nitrogen as a quasihydrostatic pressure-transmitting medium and the other in nonhydrostatic pressure conditions. The x-ray diffraction data showed gradual phase transition from a low-density, monoclinic β-Ga2O3 to a high-density, rhombohedral α-Ga2O3. With the use of nitrogen as a …
C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin
C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin
Chemistry Faculty Publications
The current report presents the first theoretical study of the restricted CN bond rotation in carbamoyl chlorides. Several N-benzyl-N-methylcarbamoyl chlorides were investigated, with varying pattern of substitution in the aromatic ring. Optimizations and frequency calculations were conducted employing DFT at the B3LYP/6-31+G(d) level of theory. Each of the studied structures exhibits a pair of rotamers (s-Z and s-E), generated upon rotation around the C(O)N bond. The s-E isomer is the global minimum in every case, but the preference for it is usually less than 1 kcal/mol. Two possible transition state structures were identified …
Monolayer-Protected Nanoparticle Film Assemblies As Platforms For Controlling Interfacial And Adsorption Properties In Protein Monolayer Electrochemistry, Andrew F. Loftus, Katelyn P. Reighard, Susanna A. Kapourales, Michael C. Leopold
Monolayer-Protected Nanoparticle Film Assemblies As Platforms For Controlling Interfacial And Adsorption Properties In Protein Monolayer Electrochemistry, Andrew F. Loftus, Katelyn P. Reighard, Susanna A. Kapourales, Michael C. Leopold
Chemistry Faculty Publications
Assembled films of nonaqueous nanoparticles, known as monolayer-protected clusters (MPCs), are investigated as adsorption platforms in protein monolayer electrochemistry (PME), a strategy for studying the electron transfer (ET) of redox proteins. Modified electrodes featuring MPC films assembled with various linking methods, including both electrostatic and covalent mechanisms, are employed to immobilize cytochrome c (cyt c) for electrochemical analysis. The background signal (non-Faradaic current) of these systems is directly related to the structure and composition of the MPC films, including nanoparticle core size, protecting ligand properties, as well as the linking mechanism utilized during assembly. Dithiol-linked films of Au225(C6)75 are …
Critically Evaluated Thermochemical Properties Of Polycyclic Aromatic Hydrocarbons, María Roux, Manuel Temprado, James Chickos, Yatsuhisa Nagano
Critically Evaluated Thermochemical Properties Of Polycyclic Aromatic Hydrocarbons, María Roux, Manuel Temprado, James Chickos, Yatsuhisa Nagano
Chemistry & Biochemistry Faculty Works
No abstract provided.
Critically Evaluated Thermochemical Properties Of Polycyclic Aromatic Hydrocarbons, María Victoria Roux, Manuel Temprado, James S. Chickos, Yatsuhisa Nagano
Critically Evaluated Thermochemical Properties Of Polycyclic Aromatic Hydrocarbons, María Victoria Roux, Manuel Temprado, James S. Chickos, Yatsuhisa Nagano
James Chickos
No abstract provided.
Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies And Vapor Pressures Of Polyaromatic Hydrocarbons, William Hanshaw, Marjorie Nutt, James S. Chickos
Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies And Vapor Pressures Of Polyaromatic Hydrocarbons, William Hanshaw, Marjorie Nutt, James S. Chickos
James Chickos
No abstract provided.
Enthalpies Of Vaporization And Vapor Pressures Of Some Deuterated Hydrocarbons. Liquid−Vapor Pressure Isotope Effects, Hui Zhao, Patamaporn Unhannanant, William Hanshaw, James S. Chickos
Enthalpies Of Vaporization And Vapor Pressures Of Some Deuterated Hydrocarbons. Liquid−Vapor Pressure Isotope Effects, Hui Zhao, Patamaporn Unhannanant, William Hanshaw, James S. Chickos
James Chickos
No abstract provided.
2,4-Dihydroxybenzaldehyde 4-Ethylthiosemicarbazone, Tan Kong Wai, Ng C. H., Ng S. W., Maah M. J.
2,4-Dihydroxybenzaldehyde 4-Ethylthiosemicarbazone, Tan Kong Wai, Ng C. H., Ng S. W., Maah M. J.
Tan Kong Wai
The molecular conformation of the title compound, C(10)H(13)N(3)O(2)S, is stabilized by an intramolecular O-H center dot center dot center dot N hydrogen bond. Adjacent molecules are linked by O-H center dot center dot center dot O hydrogen bonds to furnish a zigzag chain.
Chlorido(2-Methyl-4-Oxo-4h-Pyran-3-Olato-Kappa(2)O(3),O4)(1,10-Phenanthr Oline-Kappa(2)N, N ')Copper(Ii), Tan Kong Wai, Ng C. H., Ng S. W., Maah M. J.
Chlorido(2-Methyl-4-Oxo-4h-Pyran-3-Olato-Kappa(2)O(3),O4)(1,10-Phenanthr Oline-Kappa(2)N, N ')Copper(Ii), Tan Kong Wai, Ng C. H., Ng S. W., Maah M. J.
Tan Kong Wai
The copper(II) atoms in the two independent molecules of the title compound, [Cu(C(6)H(5)O(3))Cl(C(12)H(8)N(2))], both adopt square-pyramidal geometries. The two coordinating atoms of the two heterocyclic ligands comprise the square plane, and the chlorine atom occupies the apical position of the coordination environment.
Optical And Vibrational Spectroscopic Studies Of Synthetic Maya Pigments As A Function Of, Swati Kumar
Optical And Vibrational Spectroscopic Studies Of Synthetic Maya Pigments As A Function Of, Swati Kumar
Open Access Theses & Dissertations
Pigments developed by the Mayan civilization around 8th century, represent some of the most versatile pigments known to date. Several derivatives of these pigments are popular subjects of current research interest. This is due to the characteristic stability which is provided by a bonding mechanism between the dye and the clay. One such pigment "Maya Blue", a mixture of Indigo and Palygorskite, provides a dramatic background for murals and ceramics throughout Mesoamerica. Several research groups have devoted time and interest in unlocking its particular features.1-3
The work embodied in this Thesis is focused on the synThesis and characterization of three …
Zeolite Activation Of Organometallics: Revisiting Substitution Kinetics Of [Mo(Co)6] With Chemisorbed Pme3 In Dehydrated Na56Y Zeolite, Anthony L. Fernandez, Jianbin Hao, Roberta L. Parkes, Anthony J. Poë, Eduardo J.S. Vichi
Zeolite Activation Of Organometallics: Revisiting Substitution Kinetics Of [Mo(Co)6] With Chemisorbed Pme3 In Dehydrated Na56Y Zeolite, Anthony L. Fernandez, Jianbin Hao, Roberta L. Parkes, Anthony J. Poë, Eduardo J.S. Vichi
Chemistry & Biochemistry Faculty Publications
Reactions of [Mo(CO)6] under vacuum in α-cages of Na56Y zeolite fully loaded with chemisorbed PMe3 form cis-[Mo(CO)4(PMe3)2] but mixtures of [Mo(CO)5(PMe3)] and cis-[Mo(CO)4(PMe3)2] are formed under CO. Reactions under vacuum exhibit low enthalpic and very negative entropic factors (ΔH = 71.4 ± 3.5 kJ mol-1 and ΔS = -102 ± 11 J K-1 mol-1) compared with much higher enthalpic and positive entropic factors for CO dissociative reactions with P(n-Bu) …
In-Vivo Delivery Of Dna Vaccines Using Metallo-Lipid Nanoparticles, Clarissa Sara Gomez
In-Vivo Delivery Of Dna Vaccines Using Metallo-Lipid Nanoparticles, Clarissa Sara Gomez
Open Access Theses & Dissertations
There has been a rapidly growing area of research in the design and synthesis of molecules that self-organize in water to form functional nanosystems and due to the high interest in the area metal ligand complexes were tested as drug delivery systems with a Leishmania vaccine. Herein, we present the design, synthesis and functional activity of Cu(II) and Zn(II) complexes that self-assemble in water to form spherical nanoscale structures that exhibit an affinity to bind DNA and deliver it into eukaryotic cells with a high percent efficiency in-vitro. In order to assess the effectiveness of these nanoparticles to deliver DNA …
A Study Of The Interaction Of Thioindigo Dye, With Several Inorganic Host Materials, Alejandra Ramirez
A Study Of The Interaction Of Thioindigo Dye, With Several Inorganic Host Materials, Alejandra Ramirez
Open Access Theses & Dissertations
Maya Blue has been the focus of numerous studies and is believed to be a mixture of palygorskite clay and indigo dye.1,2 Several derivatives of this pigment have been developed with intriguing properties. For instance, the dye thioindigo reacts with the palygorskite clay to exhibit a broad range of colors from red to blue under UV-Vis excitation. Based on FT-Raman and computer simulation, previous work performed in our group could relate indigo and thioindigo interaction to the aluminum sites in the framework. super>3,4
The work performed with other inorganic host materials such as, layer structures and zeolites have …
Organotitanium-Aluminum Promoted Carbometalations Of Alkynols: Substituent Effects, Nikola A. Nikolic
Organotitanium-Aluminum Promoted Carbometalations Of Alkynols: Substituent Effects, Nikola A. Nikolic
Dissertations, Theses, and Masters Projects
No abstract provided.
Improved High-Temperature Stability And Sun-Light-Driven Photocatalytic Activity Of Sulfur-Doped Anatase Tio2, Suresh Pillai, Declan Mccormack, Pradeepan Periyat, John Colreavy, Steve Hinder
Improved High-Temperature Stability And Sun-Light-Driven Photocatalytic Activity Of Sulfur-Doped Anatase Tio2, Suresh Pillai, Declan Mccormack, Pradeepan Periyat, John Colreavy, Steve Hinder
Articles
No abstract provided.
Methods In Industrial Biotechnology For Chemical Engineers, Florentin Smarandache, W.B. Vasantha Kandasamy
Methods In Industrial Biotechnology For Chemical Engineers, Florentin Smarandache, W.B. Vasantha Kandasamy
Branch Mathematics and Statistics Faculty and Staff Publications
Industrial Biotechnology is an interdisciplinary topic to which tools of modern biotechnology are applied for finding proper proportion of raw mix of chemicals, determination of set points, finding the flow rates etc., This study is significant as it results in better economy, quality product and control of pollution. The authors in this book have given only methods of industrial biotechnology mainly to help researchers, students and chemical engineers. Since biotechnology concerns practical and diverse applications including production of new drugs, clearing up pollution etc. we have in this book given methods to control pollution in chemical industries as it has …
Highly Fluorous Bidentate Phosphines, Brad Berven, George Koutsantonis
Highly Fluorous Bidentate Phosphines, Brad Berven, George Koutsantonis
Brad Berven
The reaction of tetrachlorodiphosphines [Cl2P(CH2)nPCl2; n = 2-4] with fluorous aromatic precursors 4-bromo(perfluorohexyl)benzene and 4-(perfluorohexyl)phenol gave a series of fluorous-tagged diphosphines [(p-C6F13C6H4)2P(CH2)nP(C6H4C6F13-p)2; n = 2-4] and a new diphosphonite [(p-C6F13C6H4O)2P(CH2)3P(OC6H4C6F13-p)2]. The improved synthesis of 1,3-bis(dichlorophosphino)propane (dcpp), involved the facile chlorination of the corresponding primary phosphine with triphosgene. Fluorinated diimines RN=C(CH3)C(CH3)=NR, where R = p-C6H4C6F13 or p-C6H4C8F17 have also been prepared, and were found to be air-stable alternatives to the highly air-sensitive phosphorus-containing ligands. All compounds were characterised by a variety of techniques including NMR, IR, MS and microanalysis. The successful reduction of the phosphine-oxides [(p-C6F13C6H4)2P(O)(CH2)nP(O)(C6H4C6F13-p)2; n = 2,3] with phenylsilane …