Undergraduate thesis on the emission of atmospheric pollutants. The pollutants focused on are NO and NO₂. The author discusses the influence of sulfur on NO emission using computational chemistry.

Keynote address from Angela K. Wilson, who discusses four lessons she learned while doing undergraduate research.

This article presents a simple, inexpensive, and efficient chemical method of synthesizing nickel and nickel hydroxide powders with nanometer-sized particles.

In this study, we describe reaction chemistry of the first nickel(II) complexes having a terminally bound imido ligand, (dtbpe)Ni=NR (R = 2,6-ⁱPr₂C₆H₃, 2,3,6-Me₃C₆H₂ (Mes), and Ad) with various small unsaturated molecules.

This article reports the synthesis, characterization, and solution dynamics of the novel nickel(II) complexes (dimethylbis(2-pyridyl)borate)(triphenylphosphine)nickel(II) chloride (4) and (dimethylbis(2-pyridyl)borate)nickel(II) acetylacetonate (6).

This article discusses the introduction of an Application Program Interface (API) following REST principles for the AFLOWLIB.org materials data repositories consortium.

This article presents theoretical and experimental results for the surface core-level binding energy, BE, shifts, SCLS, for MgO(100) and the anomalous O(1s) SCLS is interpreted in terms of the surface electronic structure.

This paper investigates the synthesis of Ag NCs in Si(100) substrate by implanting multiple energies and fluences of Ag ions and subsequent thermal annealing.

Dataset generated for research on blood brain organic solute descriptors.

This article discusses 5-cyano-1,3-phenylene diacetate.

Article describing Axel Fredrik Cronstedt and his discovery of nickel. Information regarding pertinent locations is included.

Article describing Joseph Black and his discovery of magnesia and fixed air. The authors toured Edinburgh, Scotland in search of locations important to Black, providing the reader with maps and historical information regarding the sites.

Article on kinetic studies of the reaction of atomic sulfur with acetylene.

Article on kinetic studies of the reaction NH2 + H2S.

Our country continues to demand clean renewable energy to meet the growing energy needs of our time. Thus, natural gas, which is 87% by volume of methane, has become a hot topic of discussion because it is a clean burning fuel. However, the transportation of methane is not easy because it is a gas at standard temperature and pressure. The usage of transition metals for the conversion of small organic species like methane into a liquid has been a longstanding practice in stoichiometric chemistry. Nonetheless, the current two-step process takes place at a high temperature and pressure for the conversion of methane and steam to methanol via CO + H2 (syngas). The direct oxidation of methane (CH4) into methanol (CH3OH) via homogeneous catalysis is of interest if the system can operate at standard pressure and a temperature less than 250 C. Methane is an inert gas due to the high C-H bond dissociation energy (BDE) of 105 kcal/mol. This dissertation discusses a series of computational investigations of oxy-insertion pathways to understand the essential chemistry behind the functionalization of methane via the use of homogeneous transition metal catalysis. The methane to methanol (MTM) catalytic cycle is made up of two key …

Polymeric nanoparticles were designed, synthesized, and loaded with metal ions to explore the therapeutic potential for transition metals other than platinum found in cisplatin. Nanoparticles were synthesized to show the potential for polymer based vectors. Metal loading and release were characterized via Inductively Coupled Plasma Mass Spectrometry (ICP MS), Energy Dispersive X-Ray Spectroscopy (EDX), X-Ray Photoelectron Spectroscopy (XPS), and Elemental Analysis. Targeting was attempted with the expectation of observed increased particle uptake by cancer cells with flow cytometry and fluorescence microscopy. Results demonstrated that a variety of metals could be loaded to the nano-sized carriers in an aqueous environment, and that the release was pH-dependent. Expected increased targeting was inconsistent. The toxicity of these particles was measured in cancer cells where significant toxicity was observed in vitro via dosing of high copper-loaded nanoparticles and slight toxicity was observed in ruthenium-loaded nanoparticles. No significant toxicity was observed in cells dosed with metal-free nanoparticles. Future research will focus on ruthenium loaded polymeric nanoparticles with different targeting ligands dosed to different cell lines for the aim of increased uptake and decreased cancer cell viability.

Article on a computational study of the thermochemistry of N₂O₅ and the Kinetics of the Reaction N₂O₅ + H₂O → 2 HNO₃.

Article on the oxidation of reduced sulfur species and carbon disulfide.

Article on the solubility of tris(hydroxymethyl)aminomethane in methanol + 1-propanol mixtures at various temperatures.

Article on the solubility of tris(hydroxymethyl)aminomethane in water + 1-propanol mixtures at various temperatures.

Article on an NMR method for the quantitative assessment of intramolecular hydrogen bonding and an application to physiochemical, environmental, and biochemical properties.

Paper discussing an extensive in silico study and a novel methodology to mimic biological properties using ionic liquids.

Article on the solubility of sodium acetate in ternary mixtures of methanol, 1-propanol, acetonitrile, and water at 298.2 K.

Supplemental materials and references accompanying a series of chemistry datasets.