Chemistry Commons^™

Saliva As A Diagnostic Biological Fluid And The Human Salivary Proteome, Jessica Ghassan Emsies

Legacy Theses & Dissertations (2009 - 2024)

Saliva is a unique biologic fluid that contains a varying spectrum of proteins, nucleic acids, electrolytes, and hormones.31 It is an exocrine secretion of the salivary glands which is hypotonic in nature with a pH of 7.2-7.4.31 Saliva plays an important role in the oral cavity.33 It lubricates, hydrates, and bathes the oral cavity, therefore, aiding speech and mastication.33 Saliva forms a barrier on the teeth, protects against demineralization, and aids in remineralization.33 Saliva is required for chewing and food bolus preparation, it contains enzymes necessary for digestion, and mediates the sense of taste.33 It also helps wound healing and …

Synthesis And Adsorption Experiments With Metal-Organic Frameworks For High School And Undergraduate Laboratory Settings, Kate Holley

Legacy Theses & Dissertations (2009 - 2024)

Seven experiments are described and outlined here that introduce high school and undergraduate students to metal–organic frameworks (MOFs) and their applications. The experiments were designed to be completed with basic laboratory equipment and supplies and without the use of expensive characterization instruments, simulating typical high school chemistry laboratory conditions. Students synthesized two well-known MOFs, HKUST-1 and aluminum fumarate, using simple, safe, and rapid methods (fast enough to be performed within the time constrains of a typical high school class). Students then use their synthesized MOFs to explore their inherent sorption properties. In one set of experiments, the synthesized MOFs are …

Accumulation And Spatial Distribution Of Lead And Other Trace Elements In Keratinized Tissues : Investigations Based On Analytical Atomic Spectrometry, Mina W. Tehrani

Legacy Theses & Dissertations (2009 - 2024)

Human biomonitoring for toxic metals such as lead (Pb) provides information about absorbed dose from all exposure routes, and is critical for identifying exposed individuals and assessing health risks. Blood Pb and bone Pb are the primary validated biomarkers for assessing short-term and historical Pb exposures, respectively, while non-traditional matrices, including keratinized tissues, can provide complementary exposure information. Hard keratinized tissues – including hair, nails, hooves, and horns – grow incrementally, potentially preserving chemical exposure histories over a span of days to years. Analytical limitations and poor interlaboratory reproducibility, however, have led to debate around the use of human nails …

Study Of Small Molecules With Dna Monolayers On Gold Electrodes Using Electrochemical Quartz Crystal Microbalance On The Millisecond Timescale, Sarasi Kaushalya Kumari Galagedera

Legacy Theses & Dissertations (2009 - 2024)

Biosensors based on DNA self-assembled monolayers (SAMs) combined with electrochemical transducers have shown great potential to serve an important role in simple, accurate and inexpensive genetic analyses relevant to many fields. The most popularly adapted method in designing biosensing platforms is the self-assembly of 5’-alkylthiol-modified single stranded or double stranded DNA on gold surfaces followed by a passivation step using a diluent like mercaptohexanol (MCH). Since analytical performance (sensitivity, selectivity and stability) of such sensors is solely related to the probe surface architecture, methods to characterize and measure the surface density has gained a lot of interest among the scientific …

Computational Modeling As A Tool For Designing Ligands And Receptors, Waqas S. Awan

Legacy Theses & Dissertations (2009 - 2024)

Computational methods can be used for a wide range of applications, especially regarding DNA and RNA. Interactions such as sugar torsions, receptor-ligand interactions, ligand docking/drug docking, receptor modeling, and drug design are excellent candidates for computational analysis and in silico experiments. The use of molecular dynamics software (GROMACS) coupled with molecular design software (MOE) produce insights that may have been otherwise difficult to assess. All these problems are academic in nature but have practical uses outside of academia. Understanding alternate linkages can lead to antibiotic assays to address potential superbug epidemics. Modeling DNA superstructures can provide insight into how large …

Machine Learning Enabled Prediction Of Mechanical Properties Of Tungsten Disulfide Monolayer, Xinyu Wang, Dan Han, Yang Hong, Haiyi Sun, Jingzhi Zhang, Jingchao Zhang

Department of Chemistry: Faculty Publications

One of two-dimensional transition metal dichalcogenide materials, tungsten disulfide (WS₂), has aroused much research interest, and its mechanical properties play an important role in a practical application. Here the mechanical properties of h-WS₂ and t-WS₂ monolayers in the armchair and zigzag directions are evaluated by utilizing the molecular dynamics (MD) simulations and machine learning (ML) technique. We mainly focus on the effects of chirality, system size, temperature, strain rate, and random vacancy defect on mechanical properties, including fracture strain, fracture strength, and Young’s modulus. We find that the mechanical properties of h-WS₂ surpass those of …

Extreme Molecular Diversity In Biomass Burning Atmospheric Organic Aerosol Observed Through Ultrahigh Resolution Mass Spectrometry, Matthew Brege

Dissertations, Master's Theses and Master's Reports

Ambient atmospheric aerosol is ubiquitous in the atmosphere, originating from a variety of natural and man-made sources. These microscopic particles have profound impacts on the global climate system as well as human health. The organic fraction of atmospheric aerosol is an extremely complex mixture which is not yet fully characterized. These unknown organic aerosol species contribute to the uncertainty in the effect of aerosol on climate and uncertainty in overall ambient aerosol toxicity. Light absorbing organic aerosol can interact with incoming solar radiation and contribute to atmospheric heating; however, the source apportionment and overall fate of these absorbing organic aerosol …

Insights Into Gemcitabine Resistance And The Potential For Therapeutic Monitoring, Teklab Gebregiworgis, Fatema Bhinderwala, Vinee Purohit, Nina V. Chaika, Pankaj K. Singh, Robert Powers

Department of Chemistry: Faculty Publications

Introduction—Gemcitabine is an important component of pancreatic cancer clinical management. Unfortunately, acquired gemcitabine resistance is widespread and there are limitations to predicting and monitoring therapeutic outcomes.

Objective—To investigate the potential of metabolomics to differentiate pancreatic cancer cells that develops resistance or respond to gemcitabine treatment.

Results—We applied 1D ¹H and 2D ¹H-¹³C HSQC NMR methods to profile the metabolic signature of pancreatic cancer cells. ¹³C₆-glucose labeling identified thirty key metabolites uniquely altered between wild-type and gemcitabine-resistant cells upon gemcitabine treatment. Gemcitabine resistance was observed to reprogram glucose metabolism and to enhance the pyrimidine …

Detailed Characterization Of The Solution Kinetics And Thermodynamics Of Biotin, Biocytin And Haba Binding To Avidin And Streptavidin, Roberto F. Delgadillo, Timothy C. Mueser, Kathia Zaleta-Rivera, Katie A. Carnes, Jose Gonzalez-Valdez, Lawrence J. Parkhurst

Department of Chemistry: Faculty Publications

The high affinity (K_D ~ 10⁻¹⁵ M) of biotin for avidin and streptavidin is the essential component in a multitude of bioassays with many experiments using biotin modifications to invoke coupling. Equilibration times suggested for these assays assume that the association rate constant (kon) is approximately diffusion limited (10⁹ M^-1s^-1) but recent single molecule and surface binding studies indicate that they are slower than expected (10⁵ to 10⁷ M^-1s^-1). In this study, we asked whether these reactions in solution are diffusion controlled, which reaction model and thermodynamic …

Coumarin-Based Benzilmonohydrazone As A New Proton-Sensitive Fluorescence Dye: Synthesis And Investigation Of Photophysical And Acidochromic Properties, Burcu Aydiner

Turkish Journal of Chemistry

Coumarin-based chromogenic and fluorogenic dye 4 was designed and synthesized. The photophysical properties of 4 were determined in solvents with different polarities. Protonation affinity was determined by adding trifluoroacetic acid (TFA) to a dichloromethane solution of dye 4 utilizing the UV-Vis and fluorescence titration methods. The protonation region was investigated by using the $^{1}$H NMR method. Additionally, DFT and TDDFT studies were performed to support the structural and absorption spectral properties of 4.

Silylation Of Epoxidized Soybean Oil With Triethoxysilanes, Synthesis And Characterization Of Their Polyurethanes, Aynur Özşeker, Kemal Karadeni̇z, Mustafa Yasi̇n Şen

Turkish Journal of Chemistry

Silylation of epoxidized soybean oil (ESBO) was carried out by epoxy ring opening reaction of methoxy and ethoxy silane compounds. $^{1}$H NMR and FTIR spectra confirmed that two novel bio-based polyols, PSiTh and PSiAm, were obtained through the ring opening of epoxy by the mercapto and amino moieties of MPTMS and APTES, respectively. Polyurethanes of these polyols were prepared using 4,4'- methylene-bis(phenyl isocyanate) (MDI) to incorporate silanol groups into polymer network and were labeled as PUSiTh and PUSiAm, respectively. To see the impact of silanol and phosphorous groups on flame retardant properties, the chain extended polyurethanes, PUSiThCE and PUSiAmCE were …

Ann-Assisted Forecasting Of Adsorption Efficiency To Remove Heavy Metals, Magdi Buaisha, Şazi̇ye Balku, Şeni̇z Özalp Yaman

Turkish Journal of Chemistry

In wastewater treatment, scientific and practical models utilizing numerical computational techniques such as artificial neural networks (ANNs) can significantly help to improve the process as a whole through adsorption systems. In the modeling of the adsorption efficiency for heavy metals from wastewater, some kinetic models have been used such as pseudo first-order and second-order. The present work develops an ANN model to forecast the adsorption efficiency of heavy metals such as zinc, nickel, and copper by extracting experimental data from three case studies. To do this, we apply trial-and-error to find the most ideal ANN settings, the efficiency of which …

Fuel Characteristics And Combustion Behavior Of Seaweed-Derived Hydrochars, İsmai̇l Cem Kantarli, Mehmet Pala, Yeli̇z Yildirim, Jale Yanik, Maria Helena Abreu

Turkish Journal of Chemistry

In this study, conversion of seaweeds into hydrochars was investigated with the aim of obtaining a renewable energy feedstock. The seaweeds Fucus serratus and Alaria esculenta, and a mixture of seaweeds, mainly consisting of Cystoseria sp$.$ and Laurencia sp$.$, were subjected to hydrothermal carbonization (HTC) in subcritical water at three different temperatures: 200, 225, and 250 $^{\circ}$C. Fuel characteristics and chemical properties of the derived hydrochars were determined using the standard fuel analysis and spectroscopic methods. The combustion behavior of seaweeds and hydrochars was examined via nonisothermal thermogravimetric analysis under air atmosphere. The seaweed-derived hydrochar yields were lower than those …

Sensitive Biological Detection Based On Langmuir--Blodgett Films Prepared From Diluted Silica Suspensions, Numan Gözübenli̇

Turkish Journal of Chemistry

Self-assembled three-dimensional (3-D) colloidal crystals have been extensively utilized in nanolithography for fabricating a wide spectrum of functional periodic nanostructures for important technological applications. Here a simple and versatile way is reported using silica colloids to prepare close-packed particle multilayers by the Langmuir--Blodgett technique to create highly ordered 3-D colloidal crystals with unusual nanoarrays on a large variety of substrates. Successive deposition of monolayers using amphiphilic molecules in this approach allows control of the layer thickness, particle size, and especially packing structure of them in each layer. It has been demonstrated that the Langmuir--Blodgett film's transparency and high antiglare optical …

In Situ Preparation Of Hydroxyapatite Composites Into Hydrolyzed Polyacrylamide Solution And Methylene Blue Dye Retention, Ali Mansri, Hanane Mahroug, Faycal Dergal

Turkish Journal of Chemistry

Four composites of hydroxyapatite/hydrolyzed polyacrylamide (HAP/HPAM-n) were prepared using an in situ wet chemical method. The synthesis was performed by preparing a suspension of calcium in a copolymer solution having a known HPAM concentration. Phosphoric acid was added dropwise to each suspension to obtain HAP/HPAM-n composites. The effect of initial copolymer amount on the composite properties was investigated using XRD, FTIR, TGA, and SEM/EDS analysis. The obtained results were compared to the HAP sample synthesized under the same conditions and without copolymer. HPAM amount in the composite affects the retention of methylene blue (MB) dye. The result shows that the …

Carl Bosch And The Haber-Bosch Process, Jacob Larkin

Natural Sciences Student Research Presentations

This poster for the Natural Sciences Poster Session at Parkland College features organic chemist Carl Bosch, winner of the Nobel Prize of Chemistry in 1931 for his contribution to the development of chemical high pressure methods, Bosch built on Fritz Haber's process of fixing nitrogen using high pressure chemistry to industrialize the process on a large scale to mass produce fertilizer, now known as the Haber-Bosch process, which takes nitrogen from the air, bonds it with hydrogen from natural gases and converts it to ammonia.

Robert J. Lefkowitz And Discovery Of The G-Protein-Coupled Receptor Family, Clarence Lee

Natural Sciences Student Research Presentations

This poster for the Natural Sciences Poster Session at Parkland College features Dr. Robert J. Lefkowitz, 2012 Nobel Prize in Chemistry winner (with Brian Kobilka) for their research on G-protein-coupled receptors, proteins in the plasma membrane that allow for the transmission of information through the membrane and into the cell. This research was to impact the development of medications that target these receptors, such as SSRIs.

Ligand Effect On Gold Nanomolecules Demonstrated Using Aliphatic, Aromatic And Bulky Thiolate Ligands, Milan Rambukwella

Electronic Theses and Dissertations

Atomically precise thiolate protected gold nanoparticles (AuNPs) known as gold nanomolecules (AuNMs) are intensely pursued owing to their feasibility to elucidate their structure by single crystal X-ray crystallography. They have distinct number of Au atoms (n) and thiolate (-SR, R-hydrocarbon chain) ligands (m) with molecular formula of the form [Aun(SR)m]. AuNMs are made of a gold core protected by a thiolate-monolayer and possess size-dependent properties conferred by quantum confinement. Atomic precision has been achieved in the 1-3 nm range and crystal structures of several AuNMs ranging from 18 to 279gold atoms have been studied. They provide significant insights into the …

Probing Atypical Noncovalent Interactions Using Electronic Structure Theory, Katelyn Mae Dreux

Electronic Theses and Dissertations

Some of the most important topics in modern chemistry involve noncovalent interactions in a variety of ways, from pharmacological processes to materials design. Due to the comparatively weak nature of these interactions, they can be difficult to investigate experimentally. Beyond what might be considered the ‘typical’ noncovalent interactions such as hydrogen bonding or London dispersion, there are less well known noncovalent interactions such as coordinate covalent, dihydrogen, and nonconventional hydrogen bonding, which have been the focus of much of this research. Through the use of electronic structure theory, fundamental information about the structure, energetics, and molecular properties of noncovalently bound …

Evaluating Green Solvents And Techniques In Extraction Methods, Shanmugapriya Dharmarajan

Electronic Theses and Dissertations

Of all analytical techniques, extraction is a huge solvent-consuming process that could adversely impact the environment. Use of petroleum-based solvents for extraction of oilseeds is still a common practice, despite the potential fire hazard and the toxic water pollution. The rising awareness of chemical activities created immense need for sustainable development schemes and strategies that should address the environmental impact without compromising the yield. In the course of developing green extraction techniques, automation, alternative solvents, and selective extractions are the growing trend. This dissertation aligns with that progress by surveying green solvents, comparing their performance during oil extraction, examining a …

Characterization Of Hydrogen Bonding, Halogen Bonding And Argyrophilic Interactions Using Computational Modeling, Sarah Nicole Arradondo

Electronic Theses and Dissertations

Non-covalent interactions govern multiple important chemical processes throughout nature from those within the human body to the complex environment of the atmosphere. Quantum mechanical electronic structure modeling of these relatively weak interactions can provide molecular level insight that can further our understanding of specific macroscopic properties. In the present work different non-covalent interactions are computationally evaluated within four systems. A small prototypical hydrogen bonded system and the various structural motifs that promoted proton transfer within concentrated acid and water clusters are characterized with sophisticated wavefunction based methods and large robust basis sets in order to accurately predict the structures energies …

Theranostics Based On Linear Dendritic Block Copolymers, Jon Williams

Electronic Theses and Dissertations

When combining imaging and therapeutic motifs, known as theranostics, amphiphilic diblock copolymers have a strong precedent of success. These polymers can self-assemble into a variety of morphologies that are known to concentrate in areas of inflammation such as tumors. However, prediction of size and morphology from polymer structure still remains an open challenge. Another system with promise of therapeutic efficacy are tree-like struc- tures known as dendrimers, such as poly(amidoamine) (PAMAM) and bis-(hydroxymethyl) propionic acid (bMPA), which can uptake drugs and dyes into their branches. It is desireable to combine these two motifs, using linear-dendritic block copolymers (LDBCs). These represent …

Identification Of Burnt Smokeless Gunpowders Through Physical Characteristics, Cameron Taylor Hartwig

Graduate Theses, Dissertations, and Problem Reports (ETD)

Firearms are one of the most commonly used weapons by violent criminals throughout the United States. In crimes involving the discharge of a firearm, residues from the combustion products are deposited on the shooter and in the firing direction. Some of the residues left behind are unburnt and partially burnt particles of the propellant. The most common propellant used in modern firearms is smokeless powder. The identification of particles as smokeless powder and the determination of the brand of the powder are two ways a forensic examiner may be able to utilize smokeless powder evidence. The determination of the brand …

Chem 124-002: General Chemistry Lab, Chunyan Liu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-008: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-106: General Chemistry Lab, Pin Gu

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 124-104: General Chemistry Lab, Ngozi Onyia

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126-H02: General Chemistry Ii, Bhavani Balasubramanian

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 126-102: General Chemistry Ii, Ammar Charaf

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Chem 125-006: General Chemistry I, Alexander Butherus

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.