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Substituent Effects On Strained Rings. Part A ; The Kinetics Of Hydrolysis Of A Quinuclidone Using Ftir. Part B, Yeu-Yi Chiu

Theses

PART A: The energies of a series of monosubstitued propane, cyclopropane and cyclopropene compounds were calculated using ab initio molecular orbital calculations optimized at the 3-21G level using Gaussian 82 and Gaussian 86 programs. The effects of substituents on stabilization energies and geometries are rationalized with respect to the parent molecules. The result is presented which indicated that for substituted cyclopropyl and cyclopropenyl compounds, most of the substituents induce stabilization except the —NC substituent group is destabilizing in cyclopropyl and cyclopropenyl systems. Indications of relative electrostatic and resonance effects are also analyzed. A linear free energy relationship has been exam-ined …

Determination Of Benzo(A)Pyrene Metabolites In The Bile Of Winter Flounder From The New York Bight, Xingmin Liu

Theses

A method for detecting the concentration of BaP Metabolites in fish tissues has been developed. The analytical procedure includes extraction of PAH and BaP Metabolites from fish bile, liver extract and muscle extract; reduction of metabolites to BaP using hydriodic acid; and subsequent analysis of the BaP by thin layer chromatography with fluorescence detection. The method is applied to tissues from fish collected from polluted as well as clean reference waters and experimental tanks with dilutions of treated industrial wastewater. Experimental results on one kind of bottom-dwelling fish, winter flounder, which comes from the Hudson-Raritan Estuary, NY, where the water …

Origins Of The Quantum Efficiency Duality In The Primary Photochemical Event Of Bacteriorhodopsin, Robert R. Birge, Leonore A. Findsen, Albert F. Lawrence, Mark Masthay, Chian-Fan Zhang

Chemistry Faculty Publications

Experimental and theoretical evidence is presented which suggests that two distinct forms of light-adapted bacteriorhodopsin may exist. We propose that these two forms have characteristic photocycles with significantly different primary quantum yields. INDO-PSDCI molecular orbital procedures and semiempirical molecular dynamics simulations predict that one ground state geometry of bR undergoes photochemistry with a primary quantum yield, Φ1, of ~ 0.27, and that a second ground state geometry, with a slightly displaced counterion, yields Φ1 ~ 0.74. This theoretical model is supported by the observation that literature measurements of Φ1 tend to fall into one of two categories- those that observe …

Total Maximum Daily Loads And Waste Load Allocations For Las Vegas Bay: Rationale And Calulations, State Of Nevada: Division Of Environmental Protection

Publications (WR)

In September 1987 the Nevada Division of Environmental Protection revised Water Quality Standards for Las Vegas Wash (LVW) and Lake Mead. Standards were set for chlorophyll-a and unionized ammonia in Las Vegas Bay (LVB) (NDEP 1987). The 1986 and 1987 LVB data showed non-achievement of both the chlorophyll-a and unionized ammonia standard which triggered an analysis of total phosphorus and total ammonia Total Maximum Daily Loads and Waste Load Allocations which are presented in this report. This report is separated into three sections: 1. 1987 Las Vegas Bay Water Quality Conditions and Seasonal Periodicity. 2. Concentration Estimates at Northshore Road …

Condensation Coefficient Measurement For Water In The Umr Cloud Simulation Chamber, Donald E. Hagen, John L. Schmitt, Max B. Trueblood, John C. Carstens, Daniel R. White, Darryl J. Alofs

Physics Faculty Research & Creative Works

A systematic series of condensation coefficient measurements of water have been made using the University of Missouri-Rolla cooled-wall expansion chamber which simulates the thermodynamics of cloud. This coefficient is seen to decrease from a value near unity, at the outset of simulation, to a value in the neighborhood of 0.01 toward the end of a simulation. Final values of this coefficient are sufficiently low as to contribute significantly to the broadening of the drop-size distribution in cloud.

Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The relation between dry diameter (X₀) and critical supersaturation (S_c) for atmospheric submicron aerosol particles is investigated using a long term air sampling program at Rolla, Missouri. The particles are passed through an electrostatic aerosol size classifier, and then through an isothermal haze chamber. Results are reported in terms of an apparent volume fraction of soluble material, ε_v defined such that for particles composed only of ammonium sulfate and water insoluble compounds, ε_v is the actual volume fraction of soluble material. The probability distribution of ε_v is found to be approximately Gaussian in …

Plasma Polymerization By Magnetron Glow Discharge. I. Effect Of Magnetic Field On Breakdown Of Monomers In Low Pressure, K. Sato, Y. Iriyama, D. L. Cho, H. Yasuda

Chemistry Faculty Research & Creative Works

The breakdown voltage Vb of glow discharge of an organic monomer generally decreases as the system pressure decreases; however, below a certain threshold pressure, the breakdown voltage increases with decreasing system pressure. In the pressure range below 100 mTorr, the breakdown voltage generally increases as a linear function of 1 /p, where p is the system pressure of the reactor. In this region, glow discharge without magnetic enhancement often yields unstable discharge, which is associated with a very steep slope of a line in the Vh vs /p plot. The similar plots for glow discharges of non-polymer-forming gases, such as …

Theoretical Studies Of The Energies And Geometries Of Strained Hydrocarbons, Mitchell Alan Miller

Dissertations, Theses, and Capstone Projects

Theoretical models are used to explore problems of interest to organic chemists in four projects. The first three apply existing methodologies to investigate a series of strained cyclic hydrocarbon molecules; the fourth develops methodology.

Project I. Semiempirical calculations have been performed on a variety of hydrocarbons composed of fused cyclobutane rings using the MNDO, AM1 and MM2 methods. The systems studied include linearly concatenated cyclobutanes (ladderanes), cyclic structures (prismanes) and two 'star-shaped' C₂₄H₂₄ hydrocarbons, helvetane and israelane. The results reported include optimized geometries, heats of formation and vibrational frequencies. The performance of the theoretical models is evaluated …

Mössbauer Effect Studies Of Nd₂Fe₁₄₋ₓsiₓb And Y₃Fe₁₄₋ₓsiₓb, Oran Allan Pringle, Gary J. Long, G. K. Marasinghe, William Joseph James, Antoni T. Pedziwiatr, W. E. Wallace, Fernande Grandjean

Physics Faculty Research & Creative Works

No abstract provided.

Measured Spectra Of The Hygroscopic Fraction Of Atmospheric Aerosol Particles, Darryl J. Alofs, Donald E. Hagen, Max B. Trueblood

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Relation between Dry Diameter (Xo) and Critical Supersaturation (Sc) for Atmospheric Submicron Aerosol Particles is Investigated. the Particles Are Passed through an Electrostatic Aerosol Size Classifier, and Then through an Isothermal Haze Chamber. Results Are Reported in Terms of an Apparent Volume Fraction of Soluble Material, Εv, Defined Such that for Particles Composed Only of Ammonium Sulfate and Water Insoluble Compounds, Εv is the Actual Volume Fraction of Soluble Material. the Probability Distribution of Εv is Found to Be Approximately Gaussian in the Εv Range 0.2 to 1.3. the Mean Εv is 0.5, for Electrostatic Aerosol Classifier Settings of …

30th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 30th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, July 31 - August 5, 1988.

Synthesis Of Strained Bridgehead Lactams, Quansing Tu

Theses

While 1-Azabicyclo(3,3,1)nonan-2-one was originally thought to be difficult to synthesize, two different methods (DCC and di-n-butyltin oxide) will produce it with high yield. DCC is a strong reagent for absorbing water; the di-n-butyltin oxide method uses a Dean-Stark to remove water and is very useful. Bredt's rule influences the synthesis and stability of the N-bridgehead bicyclic lactams, this is apparent in the lactam series in the behavior of the (2,2,2) compounds and the (3,2,1) compound which we tried unsuccessfully to synthesize.

Detection And Determination Of N-Nitrosohexamethyleneimine In Benzenesulfonamide, N-[[(Hexahydro-1-H Azepin-1-Yl)Amino]-Carbonyl]-4 Methyl By Hptlc, Anulfo A. Valdez

Theses

A simple method, by High Performance Thin Layer Chromatography HPTLC), was developed for rapid determination of N-Nitrosohexamethyleneimine in Benzenesulfonamide, N-[((hexahydro-1 H Azepin-1-yl)amino]-Carbonyl]-4 methyl, (Tolazamide). Separation of N-Nitrosohe-xamethyleneimine from a Tolazamide solution in chloroform was obtained by precipitation of Tolazamide with n-heptane and by passing the resulting clear solution through a small silica column which was eluted with methanol.

Determination of the N-nitroso compound was achieved by ultraviolet irradiation of it on activated High Performance Silica Gel Plates. Detection was performed by spraying the plates with triethylamine and fluorescamine reagent giving a fluorescent product. Visual detection limits of 25 ppb were …

Oxidation Of N,N-Dimethylformamide And N,N-Dimethylacetamide In A Photoreactor, Su-Jen Syu

Theses

Oxidation of N,N-dimethylformamide(DMF) and N,N-dimethylacetamide(DMA) was investigated in a 30 liter semi-batch reactor. Five reaction processes were studied by using UV alone, O₃ alone, O₂/UV, O₂/O₃/UV and H2 O₂/UV respectively. Mathematical models have been developed to interpret the reaction kinetics. Reaction rate constants and mass transfer coefficients were determined by using Rosenbrock Hillclimb optimization algorithm. The experimental data and the predicted results from the models were compared. The kinetic parameters obtained from the previous semi-batch modes were applied to the continuous stirred tank reactor (CSTR) system. Results of this work show …

River Discharge Study, Laughlin, Nevada: Colorado River Model And Diffusion Study, B. Dennis Hugh, David L. Stringfield, Jill C. Bicknell, Robert A. Ryder, Clark County Sanitation District, Nevada

Publications (WR)

A water quality modeling study of the Mohave Reach of the Lower Colorado River (from Davis Dam to the Nevada/California Stateline) was conducted to evaluate potential water quality impacts resulting from a proposed Laughlin, Nevada wastewater effluent discharge. The study included four major components: (1) review of the current regulatory framework; (2) a field data collection program to document existing water quality conditions in winter, summer, and fall; (3) development and verification of far-field and near-field (mixing zone) water quality models; and (4) application of the models to project future river quality conditions for several treatment-discharge alternatives as well as …

Computer Simulation Of The Melting Process In Linear Macromolecules, Donald W. Noid, George A. Pfeffer, Stephen Z.D. Cheng, Bernhard Wunderlich

Chemistry Faculty Publications

Polymer crystal melting kinetics is simulated by using molecular dynamics. A simplified molecular model of polyethylene crystal melting consisting of one extended chain on a polyethylene-like crystal surface is presented. The simulation data indicate that the end-to-end distance (eed) of radius of gyration (rg) has a simple exponential dependence on time. The rate constants for eed and rg are found to be temperature and molecular length dependent. A more detailed analysis of polymer crystal melting will be described.

Medium Resolution Atmospheric Pressure Ionization Mass Spectrometer, Andrew H. Grange, Robert J. O'Brien, Douglas F. Barofsky

Chemistry Faculty Publications and Presentations

An atmospheric pressure ionization (API) source for a VG 7070E‐HF mass spectrometer has been built and successfully operated at an accelerating potential of 6 kV. Hydrated protons and hydrated organic ions formed in the API source can be either partially or completely disaggregated by collisionally induced dissociation before entering the mass analyzer. The protonated molecular ions of pinacolone and 2,4‐pentanedione can be fully separated (R=2800, m/z 101,

Highly Selective Protein Separations With Reversed Micellar Liquid Membranes, Daniel W. Armstrong, Weiyong Li

Chemistry Faculty Research & Creative Works

No abstract provided.

River Discharge Study, Laughlin, Nevada: Field Survey Data, 1987, B. Dennis Hugh, David L. Stringfield, Jill C. Bicknell, Robert A. Ryder, Clark County Sanitation District, Nevada

Publications (WR)

A report of the first field data collection effort for the Laughlin River Discharge Study, conducted by Kennedy/Jenks/ChiIton in February, 1987, on the Mohave Reach of the Colorado River. This report also serves to transmit the laboratory analysis reports for all of the analyses performed and summary tables of the results. This report is organized as follows: 1. Field Conditions and Methodology 2. Summary of Sampling and Analysis Results 3. Deviations from the Proposed Sampling Program 4. Recommendations for Future Sampling 5. Attachments: A. Climatological Data B. Davis Dam Average Hourly Releases C. Laboratory Analysis Reports

University Of Missouri-Rolla Cloud Simulation Facility: Proto Ii Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, Alfred R. Hopkins, Max B. Trueblood, Max W. Alcorn, William L. Walker

Mechanical and Aerospace Engineering Faculty Research & Creative Works

The Graduate Center for Cloud Physics Research at UMR Has Developed a Cloud Simulation Facility to Study Phenomena Occurring in Terrestrial Clouds and Fogs. the Facility Consists of a Pair of Precision Cooled-Wall Expansion Chambers Along with Extensive Supporting Equipment. the Smaller of These Chambers, Described in This Article, is Fully Operational, and is Capable of Simulating a Broad Range of In-Cloud Thermodynamic Conditions. It is Currently Being Used to Study Water Drop Growth and Evaporation for Drops Nucleated (Activated) on Well-Characterized Aerosol Particles. Measurements Have Been Made Not Only for Continuous Expansions (Simulated Updraft) But Also for Cyclic Conditions, …

29th Rocky Mountain Conference

Rocky Mountain Conference on Magnetic Resonance

Program and abstracts from the 29th annual meeting of the Rocky Mountain Conference, co-sponsored by the Rocky Mountain Section of the Society for Applied Spectroscopy and the Rocky Mountain Chromatography Discussion Group. Held in Denver, Colorado, August 2-6, 1987.

Determination Of Amino Acids And Chloramino Acids In Municipal Wastewater, Jeffrey Taylor Jewell

Chemistry & Biochemistry Theses & Dissertations

It is well known that unchlorinated municipal wastewater contains high levels of organic and inorganic amino nitrogen compounds, the single most abundant amino-N species being ammonia. Upon chlorination, these compounds are transformed almost instantaneously and quantitatively into N-chloramino derivatives. The organic chloramines have been shown to

interfere with disinfection and have lower disinfection capacities than their inorganic counterpart monochloramine. The environmental effects imposed by the discharge of these compounds into natural receiving waters is unknown. This study has shown that amino acid precursors for N-chloramino acids range in concentration from 1.4 X 10^-7 M to 9.0 X 10^{-7 …}

Analysis Of Polycyclic Aromatic Hydrocarbon (Pah) In Stack Sample Particulates Formed During Waste Combustion ; Substituent Effects On The Strain Molecules, Ping Chiang Lyu

Theses

PART A: The total thirty samples came from wastes incineration of five industry companies in New Jersey have been examined. The EOM levels showed, especially for the less polar substances, lower than if they were collected at room temperature in the manner of ambient sampling. HPLC analyses of PAH, nitro-PAH and Quinone-PAH have been performed. Brief comparison is made with previous study.

PART B: Ab initio Molecular orbital calculations using the 3-21G basis set provide good approximations to the experimental geometries of substituted strained organic molecules. A series of disubstituted prismanes have been calculated at this level and the effects …

Direct Coal Liquefaction Using Bis(Dihydrobis(1-Pyrazolyl)Borate)Nickel (Ii) As A Catalyst, Pong Kau Yuen

Theses (Pre-2016)

The direct coal liquefaction of Illinois Number Six River King coal using bis(dihydrobis(l-pyrazolyl)borate)nickel (II) as a catalyst in SRC II (a distillate at 240-450°C) was evaluated at times of 15 minutes. Each run was carried out in a 300 ml magnedrive autoclave reactor under an initial hydrogen pressure of 900-1200 psig and/or at 425-475°C. In case of different hydrogen pressures, the tetrahydrofuran (THF) and cyclohexane conversions increased with increased hydrogen pressure. At the two temperatures of 425°C and 475°C the cyclohexane conversion increased with the increased temperature but the THF conversion decreased. The effects of different solvents and heating-rate of …

Las Vegas Wash And Lake Mead Proposed Water Quality Standards: Revisions And Rationale, State Of Nevada: Division Of Environmental Protection

Publications (WR)

Rationale of review and for proposed changes to the Nevada Pollution Control Regulations (NAC 445.1354, 445.1355, 445.1356, 455.1367, 445.1352, 445.1353, 445.1350, 445.1351) before the State Environmental Commission on June 23 and 24, 1987.

University Of Missouri--Rolla Cloud Simulation Facility: Proto Ii Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, Alfred Raymond Hopkins, Max B. Trueblood, Max W. Alcorn, William L. Walker

Physics Faculty Research & Creative Works

The Graduate Center for Cloud Physics Research at UMR has developed a cloud simulation facility to study phenomena occurring in terrestrial clouds and fogs. The facility consists of a pair of precision cooled-wall expansion chambers along with extensive supporting equipment. The smaller of these chambers, described in this article, is fully operational, and is capable of simulating a broad range of in-cloud thermodynamic conditions. It is currently being used to study water drop growth and evaporation for drops nucleated (activated) on well-characterized aerosol particles. Measurements have been made not only for continuous expansions (simulated updraft) but also for cyclic conditions, …

Hydration Of Propylene To Isopropanol, Nehemiah Diala

Retrospective Theses and Dissertations

The hydration of propylene to isopropanol was investigated. The first part of this study concerned the direct hydration reaction in various liquid phase systems in the presence of sulfuric acid or p-toluenesulfonic acid. The second part in a two-stage process in which propylene was contacted with excess acetic acid to form isopropyl acetate; the ester was then hydrolyzed to isopropyl alcohol and acetic acid.

A New Science, And A New Profession: Sugar Chemistry In Louisiana, 1885-1895, John Alfred Heitmann

History Faculty Publications

Between 1885 and 1895 the Louisiana sugar industry experienced a scientific and technological revolution in methods, process apparatus, and scale of operations. The animal-powered mills and open kettles characteristic of the antebellum period were supplanted by large, technically designed, and scientifically controlled central factories . In 1880 there were approximately 1,000 sugar houses in Louisiana with an average annual production of 110 long tons of sugar per house. By 1900 fewer than 300 factories constituted the state's sugar industry, but yearly production averaged over 980 long tons for each sugar house. One commentator of the period, Mark Twain, described a …

Interaction Of Calcium With Hema/Maa Copolymers., Michael R. Van De Mark, N. D. Lian, M. Brandon, E. C. Eckstein

Chemistry Faculty Research & Creative Works

Polymeric materials based upon 2-hydroxyethyl methacrylate (HEMA) have been extensively used, especially in biomedical applications. Several reports have appeared in the literature during the past 20 years regarding the behavior of these materials upon exposure to body fluids. The results of these studies have ranged from good biocompatibility to calcification. The presence of methacrylic acid (MAA), in HEMA-based copolymers gives rise to a swelling transition at pH 7. The present study relates the swollen volume of HEMA/MAA gels to the concentrations of calcium salts at a pH where the MAA is ionized, as would occur for implanted gels. This swollen …

Measurement Of The Condensation Coefficient Of Water In The Umr Simulation Chamber, Daniel R. White, James L. Kassner, John C. Carstens, Donald E. Hagen, John L. Schmitt, Darryl J. Alofs, Alfred R. Hopkins, Max B. Trueblood, Max W. Alcorn, William L. Walker

Physics Faculty Research & Creative Works

The UMR Cloud Simulation Facility is described. The facility is designed to provide a controlled environment simulating the conditions of natural atmospheric processes. It consists of two cooled-wall expansion cloud chambers and peripheral instrumentation for generation and characterization of aerosols used for cloud formation studies. Results of initial studies of the growth of warm cloud droplets and inferred measurements of the condensation coefficient are described.