Open Access. Powered by Scholars. Published by Universities.®

Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

21,343 Full-Text Articles 31,159 Authors 3,813,508 Downloads 244 Institutions

All Articles in Chemistry

Faceted Search

21,343 full-text articles. Page 6 of 544.

Multi-Reference Systems In Chemistry; Unconventional Bonding In Organic Chemistry; Covalent Bonding In Transition Metal Clusters, Alan Wilfred Humason 2018 Southern Methodist University

Multi-Reference Systems In Chemistry; Unconventional Bonding In Organic Chemistry; Covalent Bonding In Transition Metal Clusters, Alan Wilfred Humason

Chemistry Theses and Dissertations

The geometries, chemical properties, and reactivities of molecules are determined by their electronic structure. The field of ab initio computational chemistry works to calculate the kinetic and potential energies between the nuclei and electrons of a molecule. These calculations usually begin with the determination the electronic ground state.

Molecules that cannot be adequately described with a single, ground state configuration are called \textit{multi-reference systems}, which require the calculation of a linear combination of all pertinent electronic configurations, with a corresponding increase in computational cost. This is not `black box' methodology, because solving these systems requires a good understanding of ...


Tumor-Targeting Fluorinated Phthalocyanines For Theranostic Applications, Erik Nathaniel Carrión 2018 Seton Hall University

Tumor-Targeting Fluorinated Phthalocyanines For Theranostic Applications, Erik Nathaniel Carrión

Seton Hall University Dissertations and Theses (ETDs)

Hydrocarbon-based therapeutics and imaging agents are prone to chemical oxidation and degradation resulting in loss of activity and limited functional utility. Thus, more material is required to achieve long-lasting therapeutic effects. Phthalocyanines (Pcs) and their metal complexes (PcMs) can be utilized as prodrugs requiring only renewable energy resources namely, air and light, for cancer therapy and diagnostic (theranostic) applications related to photodynamic therapy (PDT). Replacement of labile C-H bonds in the Pc scaffold with a combination of fluoro and perfluoroisopropyl groups has resulted in a stable yet reactive oxidation catalyst of biological significance and importance. For example, F64PcZn ...


Assessment Of The Viability Of Microwell Plates As Sample Holders For Analytical Excitation-Emission Spectroscopy Of Polyaromatic Hydrocarbons In 75% Ethanol, Lauren M. Ridley-Hoffman 2018 Seton Hall University

Assessment Of The Viability Of Microwell Plates As Sample Holders For Analytical Excitation-Emission Spectroscopy Of Polyaromatic Hydrocarbons In 75% Ethanol, Lauren M. Ridley-Hoffman

Seton Hall University Dissertations and Theses (ETDs)

Polyaromatic hydrocarbons (PAHs) in the environment are a significant concern as many compounds in this class are potential carcinogens. PAHs resulting from petroleum spills can contaminate natural waters and the products obtain from them (fish and fish products in particular). Previous studies by Pena, et. al. on ethanolic extracts of organs from menhaden captured in the vicinity of the Deepwater Horizon (Macondo oil well) spill have shown that fluorescence excitation spectroscopy is a useful technique for detecting the presence of PAH metabolites and fluorescent vitamins. The study has also concluded that previous methods for analyzing PAHs using fluorescence spectroscopy used ...


Concentration Of Atmospheric Ammonia From Kenyon College Monitoring Station, Vivian Ezeh, David Heithaus, Simon Garcia, Matthew F. Rouhier 2018 Kenyon College

Concentration Of Atmospheric Ammonia From Kenyon College Monitoring Station, Vivian Ezeh, David Heithaus, Simon Garcia, Matthew F. Rouhier

Data Sets

Kenyon College is hosting an ammonia (NH3) monitoring station as part of the National Atmospheric Deposition Program (NADP). The Kenyon College (OH32) site is one of six locations around the state of Ohio.


Use Of Biometrics To Determine Biochemistry Knowledge Level Differences In Reading And Processing Metabolic Pathways, Kim Kammerdiener 2018 Kennesaw State University

Use Of Biometrics To Determine Biochemistry Knowledge Level Differences In Reading And Processing Metabolic Pathways, Kim Kammerdiener

Master of Science in Chemical Sciences Theses

The areas of chemistry and biochemistry commonly use external representations to enhance learning for students. The use of schematics and representations for illustrating metabolic pathways is a familiar image in most biochemistry textbooks. These external representations can be the key to student understanding. To date, there has not been any previous research specifically focused on the areas of interest that are predominant for an individual viewing a metabolic pathway commonly found in a biochemistry textbook. Therefore, this thesis study set out to 1) investigate what individuals look at in a metabolic pathway based on their level of expertise in metabolism ...


Archaeometric Approaches To The Roman Near East, Gayatri Nandwani 2018 University of Tennessee, Knoxville

Archaeometric Approaches To The Roman Near East, Gayatri Nandwani

EURēCA: Exhibition of Undergraduate Research and Creative Achievement

The purpose of my research this summer has been to participate in a full suite of archaeometric and geoarchaeological analyses, particularly as they are applied to sedimentology. The first section of my research has focused on an introduction to these procedures at ARL including laboratory safety procedures, proper sample collection and processing methods, and introduction to methods and purposes for a variety of laboratory analyses including grain size distribution analysis using a state of the art Malvern Mastersizer 3000 laser diffraction particle size analyzer, organic matter and inorganic carbon analysis, and microartifact analysis. During the field collection phase I worked ...


Modeling Adsorption And Diffusion Of Atomic Oxygen On The Ag(111) Surface Using Kinetic Monte Carlo Simulations, Seth Spencer Street, Sharani Roy, Sara Isbill 2018 University of Tennessee, Knoxville

Modeling Adsorption And Diffusion Of Atomic Oxygen On The Ag(111) Surface Using Kinetic Monte Carlo Simulations, Seth Spencer Street, Sharani Roy, Sara Isbill

EURēCA: Exhibition of Undergraduate Research and Creative Achievement

Oxidized silver surfaces are widely used as industrial heterogeneous catalysts to oxidize small organic compounds, such as ethylene. While surface-adsorbed oxygen is known to participate in catalysis, it has been suggested that ‘subsurface’ oxygen adsorbed in the near-surface region of silver also plays important roles in surface reconstruction and reactivity. However, the formation, motion, and chemical behavior of subsurface oxygen in silver are not well understood. In the present work, a kinetic Monte Carlo (KMC) simulation has been developed using the Python programming language to computationally model the diffusion kinetics of atomic oxygen (AO) at the Ag(111) surface. This ...


Treatment Of Mci And Alzheimer's Disease, Mark A. Lovell, Bert C. Lynn 2018 University of Kentucky

Treatment Of Mci And Alzheimer's Disease, Mark A. Lovell, Bert C. Lynn

Chemistry Faculty Patents

The present invention provides, among other things, therapeutic compositions and methods that can effectively treat, slow or prevent a neurological disease (e.g., a neurodegenerative disease, e.g., mild cognitive impairment (MCI) or Alzheimer's disease (AD)), in particular, based on therapeutically effective amount of nifedipine, oxidized or nitroso nifedipine derivatives, lactam (e.g., a compound of formula (Ic) or (Ic-i), e.g., NFD-L1), thyroxine (T4), triiodothyronine (T3) and combinations thereof.


E-Cigarettes Can Emit Formaldehyde At High Levels Under Conditions That Have Been Reported To Be Non-Averse To Users, James C. Salamanca, Jiries Meehan-Attrash, Shawna Vreeke, Jorge O. Escobedo, David H. Peyton, Robert M. Strongin 2018 Portland State University

E-Cigarettes Can Emit Formaldehyde At High Levels Under Conditions That Have Been Reported To Be Non-Averse To Users, James C. Salamanca, Jiries Meehan-Attrash, Shawna Vreeke, Jorge O. Escobedo, David H. Peyton, Robert M. Strongin

Chemistry Faculty Publications and Presentations

E-cigarette aerosol emission studies typically focus on benchmarking toxicant levels versus those of cigarettes. However, such studies do not fully account for the distinct chemical makeup of e-liquids and their unique properties. These approaches often conclude that there are fewer and lower levels of toxins produced by e-cigarettes than by cigarettes. In 2015, we reported the discovery of new hemiacetals derived from the reaction of formaldehyde and the e-liquid solvents. The main finding was that they constituted a significant proportion of potentially undetected formaldehyde. Moreover, unlike gaseous formaldehyde, the hemiacetals reside in the aerosol particulate phase, and thus are capable ...


Assessment Of Energetic Heterogeneity Of Reversed-Phase Surfaces Using Excess Adsorption Isotherms For Hplc Column Characterization, Leih-Shan Yeung 2018 Seton Hall University

Assessment Of Energetic Heterogeneity Of Reversed-Phase Surfaces Using Excess Adsorption Isotherms For Hplc Column Characterization, Leih-Shan Yeung

Seton Hall University Dissertations and Theses (ETDs)

This research is to explore a more general column categorization method using the test attributes in alignment with the common mobile phase components. As we know, the primary driving force for solute retention on a reversed-phase surface is hydrophobic interaction, thus hydrophobicity of the column will directly affect the analyte retention. This research describes a method to determine the column hydrophobicity by the ratio of adsorbed acetonitrile and methanol to water on the column surface using excess adsorption isotherm estimation. An excess adsorption isotherm for a binary mobile phase system represents a competitive interaction of both solvent components with the ...


Detection Of Salen-Type Tracers For Subterranean Fluid Flow Monitoring Using Surface-Enhanced Raman Spectroscopy, Jenny C. Sanchez 2018 University of New Mexico

Detection Of Salen-Type Tracers For Subterranean Fluid Flow Monitoring Using Surface-Enhanced Raman Spectroscopy, Jenny C. Sanchez

Chemistry ETDs

A series of hydrocarbon and aqueous soluble salen-type ligands have been synthesized and characterized by electronic and vibrational spectroscopy. Aqueous soluble salen-type ligands were complexed to a metal and investigated as potential underground fluid flow tracers using Surface-Enhanced Raman Spectroscopy (SERS) as the analytical technique. Vibrational spectra obtained from SERS was shown to have enhanced the spectral signal for these complexes in low concentrations though did not show significant differences between the free ligands and their metal complexes. This research has shown that, with some structural modifications, salen-type ligands can be effective candidates as subterranean fluid flow tracers when SERS ...


Extraction And Purification Of (E)-Resveratrol From The Bark Of Maine's Native Spruces, Panduka S. Piyaratne 2018 University of Maine

Extraction And Purification Of (E)-Resveratrol From The Bark Of Maine's Native Spruces, Panduka S. Piyaratne

Electronic Theses and Dissertations

Resveratrol is a plant secondary metabolite which protects plants from pathogenic invasions and acts as a remedial agent against injury, stress, and tissue damage by UV radiation. With its characteristic stilbene structure, resveratrol adopts (E) and (Z) isomeric forms. However, the (E) isomer is the most biologically active and abundant form of resveratrol in nature.

(E)- Resveratrol confers a variety of benefits to human health and well-being. Besides its antioxidant activity, the role of (E)-resveratrol as an anti-inflammatory, anti-aging, cardioprotection, and anticancer agent has been a widely explored research interest. Many plant species including mulberry, peanut, and grape are ...


Developing A Risk Assessment Protocol To Quantify Distribution And Uptake Of Persistent Organic Pollutants In Glacial Outflows, Kimberley Rain Miner 2018 University of Maine

Developing A Risk Assessment Protocol To Quantify Distribution And Uptake Of Persistent Organic Pollutants In Glacial Outflows, Kimberley Rain Miner

Electronic Theses and Dissertations

Pollutants released by industrialized nations between 1960 and 2004 have been transported northward through atmospheric processes and deposited into glaciated alpine ecosystems. Many of these chemicals retain their original structure and are absorbed into the biota thousands of miles away from where they were originally utilized. With a warming climate increasing the melt of alpine glaciers, these glaciers may be introducing growing amounts of toxins into the watershed. While studies have demonstrated the existence of resident pollutants within glaciated ecosystems, no one has developed a risk assessment to identify sources and quantity of risk posed by these compounds when released ...


Flame Retardancy Of Ferrocene Incorporated Epoxide, Sultan Alanazi 2018 Pittsburg State University

Flame Retardancy Of Ferrocene Incorporated Epoxide, Sultan Alanazi

Electronic Thesis Collection

Epoxy resins are thermosetting resins that are used in a variety of applications such as electrical and electronic devices. However, epoxy resins can be inherently flammable. To circumvent this problem, epoxy resins were prepared by incorporating ferrocene carboxylic acid into the epoxy prior to thermal setting, as a flame retardant. Ferrocene carboxylic acid was prepared by condensing o-chlorobenzoyl chloride with ferrocene followed by hydrolysis. The synthesized ferrocene carboxylic acid was characterized by 1H-NMR spectroscopy, 13C-NMR spectroscopy, and FT-IR spectroscopy. Epoxy films were then prepared by reacting ferrocene carboxylic acid (10, 15, and 20% by wt) with bisphenol A ...


A Facile Method To Synthesize Bi-Functional Nanostructured Nickel Compounds For Energy Storage And Water Splitting Applications, Nawaf Albeladi 2018 Pittsburg State University

A Facile Method To Synthesize Bi-Functional Nanostructured Nickel Compounds For Energy Storage And Water Splitting Applications, Nawaf Albeladi

Electronic Thesis Collection

In recent years, the increasing demands for clean, efficient, and renewable energy have triggered researchers to increase their effort to develop multi-functional materials for energy applications. Supercapacitors, among the comparative energy storage devices, have attracted considerable attention due to their high energy storage capacity, fast charge-discharge capability, long cycle life, and high power density. Transition metal oxides and sulfides are being used as materials for supercapacitor applications due to their excellent conductivity, high electrochemical properties, and large theoretical energy storage capacitance. On the other hand, among the numerous energy techniques, water splitting has become one of the most important technologies ...


Polymer Nanocomposites Containing High Aspect Ratio Particulates: Innovation In Co-Extruded Multilayer Barrier Films, Kevin Meyers 2018 The University of Southern Mississippi

Polymer Nanocomposites Containing High Aspect Ratio Particulates: Innovation In Co-Extruded Multilayer Barrier Films, Kevin Meyers

Dissertations

Delaminated montmorillonite (MMT) clay/ maleic anhydride grafted LLDPE nanocomposite multilayer films with alternating layers of LDPE were produced through multilayer co-extrusion. The MMT concentration within the nanocomposite layers was increased through annealing the films in the melt due to a mismatch in interdiffusion rates of the polymer layers. Analysis of the nanocomposite layers upon annealing revealed that the platelets impinged upon one another resulting in significant improvement in oxygen barrier in the multilayer system, exceeding the results of bulk nanocomposites.

Model analysis demonstrated that increasing the nanoplatelet aspect ratio or initial concentration in the filled layers would lead to even ...


Effects Of A Green Chemistry Laboratory Design On First- Semester General Chemistry Students' Transformative Experiences In Chemistry, Lurea Joan Doody 2018 Duquesne University

Effects Of A Green Chemistry Laboratory Design On First- Semester General Chemistry Students' Transformative Experiences In Chemistry, Lurea Joan Doody

Electronic Theses and Dissertations

The purpose of this study was to understand if a green chemistry laboratory design facilitated students’ transformative experiences in a first-semester general chemistry course for science majors. The study population consisted of 18 college students enrolled in the course at a small, rural, mid-Atlantic university. Traditional chemistry laboratories were replaced with three signature green chemistry laboratories over a period of 6-weeks at the end of the spring semester. Impact data were collected pre- and post, of the three labs using the Transformative Experience Questionnaire (TEQ) surveys. Open ended guided reflection questions were coded for elements of transformative experience (TE): expansion ...


Targeted Triple Drug Regimen For The Treatment Of Prostate Cancer, Tanuja Tummala 2018 Pittsburg State University

Targeted Triple Drug Regimen For The Treatment Of Prostate Cancer, Tanuja Tummala

Electronic Thesis Collection

Prostate cancer is the most common amongst men. According to ACS 2018 statistics, about 164,690 new cases appear and 29,430 deaths occur. Nearly 6 in 10 cases are diagnosed in men over 50 years of age and often there are no early symptoms. The treatment options include surgery, chemotherapy, hormonal therapy and/or radiation and it can often be treated successfully. However, the poor management and adverse effects demanded ways to find better treatment option. Towards the development of a personalized medicine for prostate cancer treatment, we proposed to design prostate cancer targeting magnetic nanoplatform. This integrates various ...


Tetrel Bonding As A Vehicle For Strong And Selective Anion Binding, Steve Scheiner 2018 Utah State University

Tetrel Bonding As A Vehicle For Strong And Selective Anion Binding, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

Tetrel atoms T (T = Si, Ge, Sn, and Pb) can engage in very strong noncovalent interactions with nucleophiles, which are commonly referred to as tetrel bonds. The ability of such bonds to bind various anions is assessed with a goal of designing an optimal receptor. The Sn atom seems to form the strongest bonds within the tetrel family. It is most effective in the context of a -SnF3 group and a further enhancement is observed when a positive charge is placed on the receptor. Connection of the -SnF3 group to either an imidazolium or triazolium provides a strong halide receptor ...


New Reactions Of Strained Allyl Silacycles, Elizabeth Cummins 2018 Western Washington University

New Reactions Of Strained Allyl Silacycles, Elizabeth Cummins

Graduate Student Symposium

Ring-strained allylsilanes exhibit both electrophilic and nucleophilic characteristics, allowing for simultaneous activation and allylation of carbonyl compounds. Results are presented describing an optimized synthesis of certain allylsilacyclobutanes and their use in several selective carbon-carbon bond forming reactions.


Digital Commons powered by bepress