Index Catalog // ScholarsArchive@OSU

Using Computational and Statistical Methods as an Aid to Study Environmentally Relevant Organic Molecules

Creator:: Dorn, Shelby E.
Abstract:: In this report, three studies are presented that utilize computations to predict transformations, identities, and properties of environmental organic molecules. Each study shows how computations can lead to models of chemical behavior. The importance of this research is rooted in the need for understanding how human behavior and health intersect...
Resource Type:: Masters Thesis
Full Text:: and consequent preparation of this manuscript under the groups of Dr. Staci L. Massey Simonich and

Per- and Polyfluoroalkyl Substances (PFAS) in Environmental Air-Water Matrices and Light Non-Aqueous Phase Liquids (LNAPL)

Creator:: Schwichtenberg, Trever J.
Abstract:: The presence of per- and polyfluoroalkyl substances (PFAS), organic contaminants first synthesized in the 1940s, has been reported worldwide in a variety of environmental matrices and ultimately in biological systems including humans. Ongoing research into PFAS has included identifying novel PFAS, assessing their fate and transport in the environment, and...
Resource Type:: Dissertation
Full Text:: work with me. Thank you to my committee members; Dr. Oksana Ostroverkhova, Dr. Staci L. Simonich, Dr

CO₂ capture from wet flue gas using a water-stable and cost-effective metal-organic framework

Creator:: Loughran, Ryan P.
Abstract:: We report the use of MIL-120 as a water-stable and cost-effective metal-organic framework (MOF) for selectively capturing CO₂ from wet flue gas. Synthesized using inexpensive and environmentally benign reagents in water, MIL-120 possesses one-dimensional pores decorated with hydroxyl-bridged Al(III) ions and benzene rings with an interstitial spacing of 4.78 Å....
Resource Type:: Masters Thesis
Full Text:: le 2 . Table 1. C O 2 A d so rb en t C h em ica l F o rm u la S o lv en t(s) R ea

Electrochemical Reactions in Aqueous Batteries with Anionic Charge Carriers

Creator:: Gallagher, Trenton C.
Abstract:: In this dissertation, the primary objective is to discover more sustainable electrode materials and study new reaction mechanisms using aqueous electrolytes. The first study conducted reveals a reversible conversion reaction from copper to Cu2CO3(OH)2. The reaction mechanism uses OH- and CO32- as charge carriers at the cathode. The results open...
Resource Type:: Dissertation

Total Kinetic Energy Release in the Fast Neutron Induced Fission of 237Np

Creator:: Pica, Ashley
Abstract:: The total kinetic energy (TKE) in the fast neutron induced fission of 237Np was measured for neutron energies from En = 2.6 – 45.7 MeV at the LANSCE- WNR facility. The postTKE release decreases non-linearly with increasing incident neutron energy and can be represented as TKE(MeV) = (169.365 ± 1.551)...
Resource Type:: Dissertation
Full Text:: momentum and mass for the coincident fission products gives: M∗HV ∗ H = M ∗ LV ∗ L (2.3.1) M∗L +M ∗ H

Structure-property Relationships of Transition Metal Oxides Containing Precious Metals

Creator:: Hapuraja Pathirannehelage, Vidhara H. P.
Abstract:: This dissertation presents a study of structure-property relationships within 3d/4d metal oxides containing precious metals through detailed structure refinements using high-resolution neutron and X-ray diffraction data along with exploration of the resultant properties. Oxides of 4d or 5d transition metals tend to show new topological phases due to significant spin-orbit...
Resource Type:: Dissertation
Full Text:: ............... 154 A.7: L*a*b* parameters of Bi12Mn-xTixO20 series

Comprehensive Analysis of The Brain Metabolome Using Mass Spectrometry in Conjunction with Data Analysis Techniques

Creator:: Khorani, Mona
Abstract:: Metabolomics has recently gained momentum in biomolecule research and complements the genomics and proteomics research space. Metabolomics strives to detect, identify, and quantify all metabolites present in biological samples. In particular, biomolecular analysis using ultra-performance liquid chromatography combined with mass spectrometry (UPLC-MS) has become increasingly important for metabolomic analyses. Similarly,...
Resource Type:: Dissertation
Full Text:: -ACETYL-L-ASPARTIC ACID, 19:Cer(d18:1/16:0), 20:Oleic Acid ethyl ester, 21:PC(16:0/18:2), 22:PC(22:2/20

Bridging the Gap Between Equilibrium Properties and Ultrafast Dynamics with Time-Resolved Spectroscopy of Functional Systems

Creator:: Krueger, Taylor D.
Abstract:: Ultrafast spectroscopy has recently gained momentum as a powerful, noninvasive characterization toolset capable of studying a diverse array of samples with applications in chemistry, physics, biology, engineering, and more. Two popular ultrafast spectroscopic techniques include femtosecond transient absorption (fs-TA) and femtosecond stimulated Raman spectroscopy (FSRS). The latter of these techniques...
Resource Type:: Dissertation
Full Text:: Fellowship, the Dorothy and Ramon Barnes Graduate Fellowship, the Oregon Lottery Graduate Scholarship, and

Elucidating the Origins of Trends and Selectivities of Organic Reactions through Computations and Data Analysis Techniques

Creator:: Richardson, H. Camille
Abstract:: In this dissertation, a novel method for analyzing computed transition states (TS) for organic reactions is disclosed. It introduces the use of localization-delocalization matrices as parameters in a linear free energy relationship to determine the transition state interactions responsible for differences in energy between the major and minor TS in...
Resource Type:: Dissertation
Full Text:: . Ashley A. Jaworski conducted the synthesis. Karl A. Scheidt, Ronald L. Cook, and Paul H.-Y. Cheong

ScholarsArchive@OSU

Using Computational and Statistical Methods as an Aid to Study Environmentally Relevant Organic Molecules

Per- and Polyfluoroalkyl Substances (PFAS) in Environmental Air-Water Matrices and Light Non-Aqueous Phase Liquids (LNAPL)

CO₂ capture from wet flue gas using a water-stable and cost-effective metal-organic framework

Electrochemical Reactions in Aqueous Batteries with Anionic Charge Carriers

Total Kinetic Energy Release in the Fast Neutron Induced Fission of 237Np

Structure-property Relationships of Transition Metal Oxides Containing Precious Metals

Comprehensive Analysis of The Brain Metabolome Using Mass Spectrometry in Conjunction with Data Analysis Techniques

Bridging the Gap Between Equilibrium Properties and Ultrafast Dynamics with Time-Resolved Spectroscopy of Functional Systems

Elucidating the Origins of Trends and Selectivities of Organic Reactions through Computations and Data Analysis Techniques

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