Physical Sciences and Mathematics Commons^™

Synthesis Of Symmetric And "Mixed-Ligand" Homocyclopentadienyl Ruthenocenes, John Adjeiku Amanfu

Masters Theses

No abstract provided.

Computational Neural Networks In Chemistry: Model Free Mapping Devices For Predicting Chemical Reactivity From Molecular Structure, David Wayne Elrod

Dissertations

Computational neural networks (CNNs) are a computational paradigm inspired by the brain’s massively parallel network of highly interconnected neurons. The power of computational neural networks derives not so much from their ability to model the brain as from their ability to learn by example and to map highly complex, nonlinear functions, without the need to explicitly specify the functional relationship. Two central questions about CNNs were investigated in the context of predicting chemical reactions: (1) the mapping properties of neural networks and (2) the representation of chemical information for use in CNNs.

Chemical reactivity is here considered an example of …

Dynamic Nmr Study Of Bond Rotational Activation Parameters In Micelles, Dietmar A. Leitner

Dissertations and Theses

The behavior of surfactants in solution has been and still is of scientific, technological, and industrial interest. The micelle forming compounds sodium N-( octyloxycarbonyl)sarcosinate (NaOcSarc), and sodium N-(decyloxycarbonyl)sarcosinate (NaDecSarc) show in aqueous solution two ¹H NMR N-methyl peaks arising from a possible cis- or trans-conformation. The relative population of the N-methyl peaks depends mostly on the concentration of surfactant indicating micelle formation. Upon heating the two peaks start to coalesce and finally appear as one single peak. The temperature range in which this phenomenon occurs is from 25°C to 65°C. The primary interest of this study was to determine …

Synthesis Of Bisphenol A Bis-2-Hydroxypropylmethacrylate (Bisgma) And Diethylchlorophosphate And 2-Hydroxyethylmethacrylate (Decp-Hema) And Preparation Of Dental Adhesives, Da Xie

Theses

BisGMA and DECP-HEMA were separately synthesized from Bisphenol A and glycidyl methacrylate and from diethylchlorophosphate and 2-hydroxyethyl-methacrylate. The structure of the monomer, BisGMA, was further analyzed by means of chromatography, VPO, IR, FTIR and GC-MASS.

Based on the main monomers, BisGMA, DECP-HEMA and an organosilane compound, a dental adhesive has been formulated. Although the tervile strength of the adhesive has been found to be not as good as the adhesive formulated by a previous worker (student), its applicability to teeth is more suitable for clinic practice.

Interferences Of N-Chloroorganic Compounds In Free Chlorine Determination, Sushma H. Gandhi

Chemistry & Biochemistry Theses & Dissertations

Various N-chlorinated organic compounds give positive responses to the analytical methods used to determine free chlorine. The present work quantifies interferences due to N-chloroisoleucine, N-chloropiperidine and N-chloro-2-methylbutyraldiminein the free chlorine determination by amperometry. These N-chloroorganic compounds were also studied for the recovery in response by the indicator electrode in amperometric titrimetry. The total chlorine content of the chloroaldimines derived from the chlorination of the amino acids, alanine, glutamic acid, glycine, isoleucine, leucine, phenylalanine, serine, valine, and those of dipeptides, alanylvaline and glycylleucine, was determined by amperometry and DPD-FAS titrimetry. The two methods were compared and evaluated with respect to recovery …

Investigation Of Alignment Dynamics In Mg-Ne And Mg-Ar Two-Photon Fractional Collisions, David Allen Olsgaard

Physics Theses & Dissertations

A new technique is used to observe the dynamics of electronic alignment in a dissociating collision complex. The technique requires the absorption of two optical photons during a single binary collision. Two exciting light fields are tuned into the wings of the 3s¹s₀-3p₁ and 3p¹p₁-5s¹s₀ resonances of Mg where strong collisions with rare gas atoms induce transitions between corresponding molecular states. The alignment produced in the intermediate state by the first excitation is probed by the second laser as a function of relative linear laser polarization and laser …

Construction Of An Instrument For Doing Fast Time-Resolved Infrared Spectroscopy, Susan R. Richter

Honors Theses

We have designed and assembled a system for doing flash photochemical studies of organotransition metal carbonyl complexes with fast time-resolved infrared detection. Photolysis is with conventional xenon flashlamps (400J/flash) and time resolved infrared absorption spectra are measured with a diode laser (Laser Photonics, Inc.) and indium antimonide detector operating in the range 1700 - 2100 cm -1. Signals are collected and averaged on a digital oscilloscope (LeCroy 9410) for subsequent computer storage and analysis. The waveform is downloaded to the computer where calculations of percent transmittance and absorbance vs time are calculated. The information is then transferred to a spreadsheet …

Evaluation Of The Pti Ls-100 Lifetime Instrument And The Binding Of 2-Acetylnaphthalene To Γ-Cyclodextrins And Modified Β-Cyclodextrins, Timothy R. Cregan

Honors Theses

The first part of this thesis is to determine the procedures for optimizing the data obtained from the PTI LS-100 lifetime instrument. The molecules 9-cyanoanthracene, pyrenebutyric acid, anthracene and N-acetyltrytophanamide have lifetimes which vary over the range 1 to 115 nsec and all follcw a s:ngle exponential decay. Therefore, we can evaluate the instrument by comparing these data using fluorescence lifetime reference standard values for the aforementioned molecules. The second part of this thesis is to investigate the binding of 2-acetylnaphthalere (2-AN) to various cyclodextrin molecules.

Tyrosine Flourescence To Monitor The Denaturation Of A Bacterial Protein, Kristin L. Trudeau

Honors Theses

Tyrosine fluorescence was used to monitor the denaturation of a protein. The protein used as our model system was the regulatory subunit (RSU) of aspartate transcarbamoylase from E. coli. RSU is a dimer of two identical chains with one zinc ion bound per chain. It is also a typtophan-deficient protein so tyrosine flourescence was used as a probe to monitor changes during denaturation.

Denaturation Studies On Aspartate Transcarbamoylase And Its Catalytic Subunit, Neil B. Grodsky

Honors Theses

Two separate but overlapping projects were studied. First, the tryptophan corrected fluorescence emission spectra of ATCase and CSU were characterized under a variety of denaturant conditions at excitation 295 nm. Because CSU is a portion of ATCase, the environments of the same two tryptophan residues were being probed in both systems.

Synthesis Of Organometallic Polymers, Po-Chang Chiang

Masters Theses

By the middle of the nineteenth century, organic chemists found high molecular weight compounds as by-products of some of their experiments. These compounds were thought of as products of a failed reaction. It was not until sixty years ago that the first polymers were deliberately synthesized. Today polymers are used in almost every facet of life and they are becoming more important with each passing day.

This research project focused on synthesizing conducting organometallic polymers. By linking aromatic rings with transition metals, the resultant polymers should have good electrical conductivity because of the interaction of (a) the p electrons on …

Reactions Of Dicarbonyl Compounds With Wittig & Wittig-Horner Reagents, Sadiah Eltayeb Makky

Archived Theses and Dissertations

No abstract provided.

The Removal Hcl From Hot Gases With Calcium Compounds, Qian Lao

Theses

The use of CaCO₃, Ca(OH)₂, and CaO as adsorbents for removal of HCl from hot gas streams is investigated through a series of experiments. The experiments are conducted to evaluate the influence of key parameters such as temperature, (500 K to 1000 K), particle size, (0.037 mm to 3.36 mm), pressure drop of the packed bed, (0.1 cm H₂O to 25.5 cm H₂O), and concentration of CCl in the feed gas, (1,550 ppm to 20,000 ppm), on HCl adsorption. The results of these experiments show that all three of the calcium compound …

Design Of Stable Di And Tetraradical Nitroxides As Magnetic Resonance Imaging Agents, Radha V. Iyer

Theses

Several nitroxides have been prepared in the Biotechnology Laboratory at NJIT to study their image enhancement capability. These nitroxides contain different moieties within one molecule and their paramagnetism is found to be initially increasing proportionally to the number of their radical centers. It is found that the addition of nitroxides at very close distances causes interference and a reduction of intensity due to the interaction of the two paramagnetic centers with each other. Thus MRI contrast agents are not improved by simple addition of nitroxide centers to a given molecule and drug designers must pay special attention to intramolecular spacing. …

The Use Of Henry's Law Constants In The Determination Of Factors That Influence Voc Concentration In Aqueous And Gaseous Phases In Wastewater Treatment Plant, Hui-Zhi Yu

Theses

This study focuses on the determination and comparison of Henry's law constant of eight selected volatile organic compounds in the wastewater of Linden Roselle Sewerage Authority (LRSA) wastewater treatment plant. The factors that influence the vapor-aqueous equilibrium were studied by calculating the Henry's law constants of the different species determined in the gas phase before and after the spiking of different aqueous media. Both centrifuged and uncentrifuged wastewater samples were studied, and compared to distilled water.

For wastewater sample with no suspended particles, the amount of organics in wastewater appears to influence the Henry's law constant for compounds with low …

Involvement Of Free Radicals In Peroxidatic Reactions Catalyzed By Chloroperoxidase, David P. Provencal

Senior Scholar Papers

The mechanism of chloroperoxidase (CPO)-catalyzed peroxidatic reactions of several substituted hydroquinones was studied at various hydrogen peroxide concentrations. The pathway was studied using cytochrome c as the radical trapping agent. As the hydroquinones became more hindered there was a difference in the amount of radicals trapped. For hydroquinone, 59.3% radical pathway, and methylhydroquinone, 81.4% radical, the difference in radicals trapped is due to a difference in pathway. For 2,3-dimethylhydroquinone (75.4%), trimethylhydroquinone (44.5%), and t-butylhydroquinone (0%) other non-peroxidatic reactions are noticed. Thus, for the more substituted hydroquinones the difference in radicals trapped can not be assigned to a difference in radical …

Isolation Of Protein Synthesis Initiation Factors Using Volvox Carteri: A Clue To The Translational Control Of Cytodifferentiation, Claudia Hackethal

Honors Theses

Volvox carteri, a multicellular green algae, possesses two distinct cell types--the gonidia and somatic cells. This simple germ-soma dichotomy is ideal for the study of the control of cytodifferentiation. The control of cytodifferentiation in this organism has been identified as a posttranscriptional mechanism, which suggests translation. Initiation factors have been shown to play an important role in controlling translation in many other developmental systems. Therefore, study of the initiation factors in Volvox may shed light on a translational control mechanism. In order to study any modifications of these factors, they must be isolated, possibly by following an adapted wheat germ …

Solid State 13C Nmr And Thermal Analysis Of Conformational Motion And Disorder In Small And Large Molecules, Jinlong Cheng

Doctoral Dissertations

In this work it is attempted to explore the conformational motion and disorder through a large number of examples of molecular systems differing in shape, rigidity, and molecular weight: a series of tetra-n-alkylammonium bromides and iodides, a liquid-crystal-forming molecule, N,N'-bis(4-n-octyloxybenzal)-1,4-phenylenediamine (OOBPD), and polymers, poly[oxy-1,4-(3-methylphenylene)ethylene-1,4-phenyleneoxynonamethylene] (MBPE-9) and poly[oxy-1,4-(3-methylphenylene)ethylene-1,4-phenyleneoxypentamethylene] (MPBE-5). The techniques used to study the conformational motion and disorder are mainly solid state ¹³C nuclear magnetic resonance (NMR) spectroscopy and thermal analysis.

The results of this work show that conformational disordered states (condis crystals) exist indeed in these molecules containing flexible chemical bonds (single …

New Syntheses Of Diaryl Ethers, Tyrosinols, B-Hydroxytyrosinols, L,L-Isodityrosinol And L,L-Isodityrosine-Derived Agents Via The Diels-Alder Reaction, Xianqi Feng

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Syntheses of diaryl ethers were approached by use of a Diels-Alder reaction employing a new type of diene attached with an aryloxy group. Thus, 2-methyl-3-phenoxybutadiene (90b ), 2- methoxy-3-phenoxybutadiene (92b) and (4S)-3-(t- butyloxycarbony1)-2 ,2-dimethyl-4-( 4-(3-methoxy-1,3 -butadienyl-2- oxy )phenylmethyl]oxazolidine (93b) were synthesized in ~65% yields by methylenation of the carbonyl function in the corresponding 2- substituted acrylate aryl ester using Tebbe's reagent. The 1,3- bis[(trimethylsilyl)oxy ]-2-phenoxybutadiene (105) was made from 1-phenoxy-2-propanone (101) by a sequence of formylation and enolsilylation. Methyl propiolate (107) and dimethyl acetylenedicarboxylate (113) were heated at reflux with diene 9 0 b and 92b in toluene to provide …

Mobilization Of Iron Enhances The Iron-Dependent Biochemical Reactivity Of Asbestos In Vitro And Contributes To The Cytotoxicity Of Asbestos In Cultured Cells, Loren Glen Lund

All Graduate Theses and Dissertations, Spring 1920 to Summer 2023

Asbestos related research began approximately 60 years ago, yet, the mechanism(s) by which asbestos exerts its biological effects is not well understood. The hypothesis upon which this dissertation is based is that mobilization of iron from asbestos enhances the iron-dependent biochemical reactivity of asbestos in vitro and contributes to asbestos-dependent cytotoxicity. The specific aims for this hypothesis were, 1) to determine whether iron was responsible for the biochemical reactivity of asbestos in vitro and asbestos-induced cytotoxicity in cultured cells, and 2) to determine whether mobilization of iron from asbestos enhanced the reactions catalyzed by asbestos in vitro and contributes to …

Single And Double Ionization Of Helium By Highly Charged Sulfur Ions, Karen M. Lifrieri

Masters Theses

Single and double ionization of helium by highly charged sulfur projectiles is investigated over an energy range of 0.16 to 1.6 MeV/u. Absolute cross sections for the processes of pure ionization, ionization associated with single capture, and ionization associated with single loss by S^6,13+ projectiles were experimentally determined and compared with previous results and theories. Ratios of double-tosingle ionization for each outgoing projectile charge state were also determined and compared with theory. The pure ionization ratios for S⁶⁺ at the highest energies investigated show the q²/E dependence predicted by Knudsen et al. (1984). For S^{13+ …}

Biodegradation Of Crude Oil By Marine Higher Fungi, Brian J. Dyer

Biological Sciences Theses & Dissertations

Four experiments were performed to determine the ability of marine higher fungi to grow in and degrade crude oil. Eight species, previously determined to be hydrocarbonoclastic, were grown in artificial sea water medium (ASM) and southern Louisiana crude oil. The dry mycelial weights were measured and consumption of crude oil was measured gravimetrically. The two species with the best growth, Corollospora maritima and Zalerion maritimum, were grown in ASM containing crude oil spiked with three known hydrocarbons. To this was added glucose (0.15%) and incubated 49 days to test for possible cometabolism of hydrocarbons. Hydrocarbons remaining in the growth …

Characterization Of Low Pressure Chemical Vapor Deposited Silicon Dioxide Thin Films, Xue Du

Theses

LPCVD deposited amorphous silicon dioxide SiO₂ thin films from a new chemical vapor source, diethylsilane (DES), were characterized. This work is focused on evaluation of SiO₂ films prepared by varies deposition temperatures and flow rates series.

SiO₂ thin films were evaluated for density, porosity, and refractive index. Techniques for evaluation of the above mentioned parameters for this work included the use of infrared absorption spectroscopy, preferential etch procedures, optical measurement of refractive index and thickness, and thermal annealing of CVD films. The densification in vacuum ambient has been carried out at the temperature of 600 °, 750 …

Selective No Absorption From Gas Streams With Tertiary Organic Hydroperoxide Solutions, Huihong Ao

Theses

The selective removal of nitric oxide from gas streams was investigated using 3,6-dimethyl-3-octyl hydroperoxide, p-menthane hydroperoxide, pinane hydroperoxide, and cumene hydroperoxide in solutions of n-hexadecane (cetane). The influence of different parameters such as temperature, gas stream flow rate (or residence time), and concentration of hydroperoxide compounds on efficiency of NO removal was evaluated. The basis of this research was to duplicate atmospheric reactions between hydroperoxides and NO in order to produce NO₂. We succeeded in removing NO from gas streams, but failed to produce NO₂. NO reacted with the hydroperoxides to produce nitrates. These nitrates are …

I. Removal Of Chromium From A Highly Contaminated Soil/Slag Matrix By Soil Washing At Low Ph, Ii. Removal Of Chromium From Impregnated Clay Matrices By Soil Washing At Low Ph, Erez Gotlieb

Theses

Section I. Chromium is a major soil contaminant of industrial sites in New Jersey, as well as in many of the Superfund sites throughout the United States. Removal of chromium by soil/slag washing with low pH sulfuric acid solutions is described. The extraction parameters are acid concentration, contact time, temperature, solvent/soil ratio, and acid type. The effect of two-stage extraction is discussed.

Soil/slag washing with sulfuric acid concentrations of 2% weight:volume (units are g/ml. This concentration is approximately equal to 0.4 N) at 75:1 v:w solvent/soil ratios yielded chromium extraction efficiencies of 95%, but 50% of the soil matrix was …

The Synthesis Of Chiral Building Blocks Using Beta-Hydroxy Sulfoxide Dianions, Carla M. Edwards

Master's Theses

No abstract provided.

Palladium(Ii) Catalysis, Glenn Noronha

Dissertations

No abstract provided.

Study Of The Hexamethylenetetramine, Ammonia, And Formaldehyde System: Quantitative Determinations, Gary Lee Madsen

Dissertations

No abstract provided.

Low Temperature Spectroscopic And Annealing Studies Of Disordered Organic Solids, Dwayne L. Labrake

Dissertations

No abstract provided.

Spin Label Studies Of Radical Reduction In Normal And Sickle Erythrocyte Membranes Associated With Antioxidants, Yin Zhang

Dissertations

No abstract provided.