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Articles 1 - 26 of 26
Full-Text Articles in Physical Sciences and Mathematics
Impact Of The Choice Of Acidic Buffers On The Electrochemical Reduction Of Hexavalent Chromium In Water, Devin D. Meche
Impact Of The Choice Of Acidic Buffers On The Electrochemical Reduction Of Hexavalent Chromium In Water, Devin D. Meche
Honors Theses
No abstract provided.
Development Of Quantitative Methods To Study Pfas Using Proton Induced Gamma-Ray Emission, Colin Langton
Development Of Quantitative Methods To Study Pfas Using Proton Induced Gamma-Ray Emission, Colin Langton
Honors Theses
Per- and polyfluoroalkyl substances (PFAS) are man-made chemicals that have become a major environmental concern. They can be found in a broad range of everyday products and pose a significant risk to the public due to their adverse health effects. They are persistent, bioaccumulate and do not break down in the environment. This project specifically aims to determine the concentration of Fluorine, a key identifier of PFAS, in environmental samples. To do this, we employ proton induced gamma-ray emission (PIGE) to screen for Fluorine within our samples. PIGE is performed at the Union College Ion Beam Analysis Laboratory using a …
A Study Of Cannabigerolic Acid And Its Derivatives Via Raman Spectroscopy And Density Functional Theory, Trevor Wolfe
A Study Of Cannabigerolic Acid And Its Derivatives Via Raman Spectroscopy And Density Functional Theory, Trevor Wolfe
Honors Theses
The cannabinoids are a class of molecules endogenous to the cannabis plant. Their scientific relevance has increased in recent years due to the mercurial legal status of marijuana across the United States. Some of the most known are cannabidiol (CBD), δ9-tetrahydrocannabinol (δ9-THC), and δ8-THC due in large part to their widespread use, especially in states where marijuana and related products are legal. However, cannabigerolic acid (CBGA) is arguably the most important cannabinoid; it is enzymatically converted into other acidic cannabinoids, which subsequently undergo non-enzymatic processes (isomerization, thermal decarboxylation, oxidation, etc.) to synthesize further cannabinoids. Although there is a wealth of …
Lc-Ms Identification Of Serum Proteins Adsorbed Onto Ionic Liquid-Coated Nanoparticles, Anh M. Hoang
Lc-Ms Identification Of Serum Proteins Adsorbed Onto Ionic Liquid-Coated Nanoparticles, Anh M. Hoang
Honors Theses
Nanocarriers are promising candidates for drug delivery due to their size and tunable surface characteristics. However, when they are intravenously injected, few particles make it to their designated location. This is because upon entering the bloodstream, the serum in the blood, which is rich with a diversity of proteins, adsorbs onto the particles’ surfaces forming a protein corona. Many of the attached proteins trigger the mobile immune system and are removed by macrophages, and many particles are then filtered out by the liver and kidneys. Ionic Liquids (ILs), which consist of asymmetric, bulky components that are liquid
Synthetic Investigations In Chemical Probe Development Part 1: Design And Synthesis Of Novel Triton X-405 Adenosine Conjugates; Part 2: Synthesis Of 2,8-Dihydroxychrysene, Rachel Irene Hammond
Synthetic Investigations In Chemical Probe Development Part 1: Design And Synthesis Of Novel Triton X-405 Adenosine Conjugates; Part 2: Synthesis Of 2,8-Dihydroxychrysene, Rachel Irene Hammond
Honors Theses
Although not drugs themselves, chemical probes are a necessary tool in biomedical research for the interrogation of biological systems. In the present synthetic investigation, two chemical probes were developed – a Triton X-405 adenosine conjugate (TX-405A) and 2,8-dihydroxychrysene. The designed TX-405A conjugate was generated in four steps through tosylation and amination of TX-405 such that EDC-coupling of TX-amine with 2’,3’-Isopropylidene adenosine-5’-carboxylic acid afforded TX-405A following acetonide deprotection. The development of TX-405A represents the first report of the synthesis and utilization of a detergent-linked dosimeter. The synthesis of 2,8-dihydroxychrysene provided an in-depth exploration on the unique reactivity of chrysene. The desired …
Computational Investigations Into Astrochemical Inorganic Oxides, Ammonia Borane, And Genetic Algorithms, E. Michael Valencia
Computational Investigations Into Astrochemical Inorganic Oxides, Ammonia Borane, And Genetic Algorithms, E. Michael Valencia
Honors Theses
The formulations of quantum mechanics in the early 1900s were exciting theoretical discoveries, but were not practical to apply until the advent of computers and the subsequent computational methods in 1951. With the introduction of tractable simplifications, procedures such as Hartree-Fock allowed for determination of properties of non-trivial systems. Presently, huge leads of computational power have allowed for extremely precise, quantitative work that can be applied to the human body, synthesis, or even astrochemical processes. This thesis presents works concerning 1) the history of quantum mechanics; 2) a brief primer on computational chemistry and its methods; 3) inorganic oxides in …
Ab Initio Study Of The Rotation Of The C≡C Group In Benzvalyne, Advait Praveen
Ab Initio Study Of The Rotation Of The C≡C Group In Benzvalyne, Advait Praveen
Honors Theses
For benzvalyne, we have characterized the minima and transition states of the molecule using the B3LYP, MP2, and M06-2X methods and aug-cc-pVTZ basis set. This was done by calculating the energy of the molecule while rotating the alkyne bond contained within it. After the initial rotation, optimized parameters for the molecule are found. Following this, imaginary frequencies were attempted to be found at the local maximum produced by the graph of the Energy v. rotation angle. Should the negative frequencies be found, the energy of the molecule will be characterized by the CCSD (T) method and aug-cc-pVQZ basis sets. This …
Covalent Modification Of Recombinant Protein With Reactive Thiols, Sawyer Dulaney, Bailey Taylor
Covalent Modification Of Recombinant Protein With Reactive Thiols, Sawyer Dulaney, Bailey Taylor
Honors Theses
Many diseases cause chronic and painful inflammation in different body systems. One of the front-line drug classes to treat such inflammation is Nonsteroidal Anti-Inflammatory Drugs (NSAIDs). Despite the benefits of oral administration of NSAIDs, there are drawbacks to their long-term usage because they can cause detrimental effects on off-target systems in the body such as the liver, kidney, or the lining of the intestinal tract. An alternative to NSAIDs is the usage of hydrogels for targeted drug delivery. Hydrogels can provide drug delivery in a specific portion of the site of inflammation, thus allowing higher doses of medication to be …
The Design Of A Pcr-Based Assay To Detect And Isolate The Serine Palmitolytransferase Gene From Environmental Bacteria, Lana Taylor
Honors Theses
Sphingolipids are a natural class of lipids that function as structural elements of cell membranes and signaling molecules for important cellular activities such as cell growth, differentiation, apoptosis, recognition, and adhesion. These lipids can be found universally in eukaryotic cells as well as some species of bacteria, such as those found in the human gut microbiome and in the environment in soils. Though sphingolipid production is rare in bacteria, both eukaryotic and prokaryotic sphingolipid biosynthesis begin with the condensation of serine and palmitoyl CoA into 3-ketodihydrosphingosine catalyzed by the enzyme serine palmitoyltransferase (SPT). In recent years, several studies have shown …
Computational And Spectroscopic Studies Of New Sulfur-Containing Dipole-Bound Anions, Nicholas Allen Kruse
Computational And Spectroscopic Studies Of New Sulfur-Containing Dipole-Bound Anions, Nicholas Allen Kruse
Honors Theses
Sulfur and Nitrogen are essential ingredients in both life-supporting and light-harvesting molecules. Their presence also usually leads to the delocalization of electrons and large dipole and quadrupole moments. Such molecules are sometimes able to form negative ions through the electrostatic binding of an excess electron. These so-called multipole-bound (dipole-bound, quadrupole-bound, etc.) anions have been shown to be important in radiation damage in biology and electron transport processes. Here, we present our recent computational and experimental results studying the creation of new multipole-bound anions.
Theoretical Studies Of Benzoquinone Reactivity In Acidic And Basic Environments, Natali Majoras
Theoretical Studies Of Benzoquinone Reactivity In Acidic And Basic Environments, Natali Majoras
Honors Theses
Quinones are a class of organic compounds containing a six-membered unsaturated ring with two carbonyl groups. They are biologically relevant mostly due to their ability to participate in redox reactions. Prior experiments in our lab showed that quinones can induce protein modifications that are pH dependent. In an acidic environment the modifications were less significant than in a basic environment. Previous computational studies have also been carried out to model, in neutral solutions, the reaction between various quinones and various amines. Various amine groups are used as a model for the amino group of lysine to represent protein modification. The …
Synthesis And Characterization Of Organometallic Complexes For Biological Imaging, Emily Stumbo
Synthesis And Characterization Of Organometallic Complexes For Biological Imaging, Emily Stumbo
Honors Theses
Luminescent transition metal complexes are of interest for biological imaging applications due to their unique photophysical properties including large Stokes shift, long fluorescence lifetimes, and tunable emission. Altering ligand structure is a useful way to manipulate the charge transfer (CT) and mixed character states that give these complexes their photophysical properties. A series of organometallic complexes containing ligands with externally facing nitrogens has been prepared and synthesized. Complexes of the form Pt (II)(tbbpy)(C2-py), Re(CO)3(N^N), Ir(C^N)2(N^N), and Ir(C^N)2(N^O) have been studied for their potential application as biological imaging agents. The goal of this project is to compare the properties of these …
Compatible Blends Of N-Type Polymer Semiconductors: Impact On The Morphology And Mechanics Of Flexible Optoelectronics, Zachary C. Ahmad
Compatible Blends Of N-Type Polymer Semiconductors: Impact On The Morphology And Mechanics Of Flexible Optoelectronics, Zachary C. Ahmad
Honors Theses
Conjugated polymers offer the potential for the development of robust, low-cost electronics, but achieving high mechanical deformability and high charge transport simultaneously in polymer semiconductors remains a significant challenge. In this work, blends of conjugated polymers were investigated to elucidate the influence of compatible conjugated blends on polymer morphology, mechanics, and electrical properties (using a partially conjugated polymer as the soft matrix and a fully conjugated polymer as the electrically active component). This work achieves a fundamental understanding of blend morphology for these similar components by establishing the framework for how they deform with strain. Grazing-incidence wide-angle X-ray scattering (GIWAXS) …
Synthesis And Characterization Of Silver Thione Complexes, Audrey V. Lawrence
Synthesis And Characterization Of Silver Thione Complexes, Audrey V. Lawrence
Honors Theses
Coordination polymers are repeating units of a coordination complex that have applications as catalysts, conductors, and magnets. In this work, silver (I) was the metal of choice because it behaves similarly to copper (I), which has been studied much more extensively and thione ligands were chosen due to their potential for forming coordination polymers. These coordination complexes with silver were synthesized by combining silver nitrate with thioacetamide, N,N'-diphenylthiourea, and 2-mercapto-1-methylimidazole. These complexes were characterized via IR spectroscopy, elemental analysis, and X-ray crystallography. Silver thioacetamide was determined to form a coordination complex through the sulfur to form a trigonal crystal lattice …
Synthesis And Study Of Unsymmetrical Bidentate Bis(Phosphino)Pyrrole Ligands And Their Transition Metal Complexes, Julia F. Vidlak
Synthesis And Study Of Unsymmetrical Bidentate Bis(Phosphino)Pyrrole Ligands And Their Transition Metal Complexes, Julia F. Vidlak
Honors Theses
Our laboratory has reported the synthesis and characterization of a broad library of unsymmetrical bidentate bis(phosphino)pyrrole (BPP) ancillary ligands for use in nickel-catalyzed cross-coupling reactions. The electronic and steric properties of nickel complexes bearing these ligands are examined, and our data support the hypothesis that these ligands produce nickel complexes with electron-deficient metal centers. The syntheses of (BPP)Ni(o-tolyl)Cl precatalysts for utilization in nickel-catalyzed Buchwald-Hartwig Amination are described, and preliminary reactivity studies reveal that (BPP)Ni(o-tolyl)Cl precatalysts are effective in promoting C–N cross-coupling reactions. Finally, we report steric measurements and electronic properties obtained from computed (BPP)NiCl2 and (BPP)Ni(CO)2 complexes, respectively. Additional reactivity …
Collision-Induced Dissociation And Ion Mobility Mass Spectrometry Of Au30(S-Tbu)18 Nanoclusters, Christopher Hood
Collision-Induced Dissociation And Ion Mobility Mass Spectrometry Of Au30(S-Tbu)18 Nanoclusters, Christopher Hood
Honors Theses
Collision Induced Dissociation (CID) and Ion Mobility Mass Spectrometry (IM-MS) are methods used to understand the structural arrangement and stability of large molecules. In this study, the gold nanocluster Au30(S-tBu)18 was dissociated at varying Trap collision energies, and drift time vs mass spectrometry data was plotted to determine the order of cluster fragmentation. Comparing Au30(S-tBu)18 data to that of Au25(SCH2CH2Ph)18, the only current nanocluster published with IM-MS data, two distinctly different dissociation patterns were seen. Unlike the linear CID fragmentation of Au …
Targeting Platelets Using Ionic Liquid Coated Nanoparticles, Karen Mun Wong
Targeting Platelets Using Ionic Liquid Coated Nanoparticles, Karen Mun Wong
Honors Theses
Platelets are key players in our body’s inflammatory processes upon activation, which can create physiological problems. Researchers are actively seeking solutions by targeting platelets with therapeutics. The objective of the research in this thesis was to investigate a new and potentially less invasive drug delivery platform using nanoparticles. The topic of the project was to explore the world of ionic liquids and their abilities, when coated on nanoparticles, to bind to platelets. A library of choline carboxylic acid-based ionic liquids (ILs) was first synthesized via salt metathesis while PLGA-based nanoparticles were simultaneously being synthesized via the nanoprecipitation method. The ionic …
Synthesis And Characterization Of Redox-Active Multidentate Ligands For Catalytic C-H Bond Oxidation And Carbon Dioxide Reduction, Caroline Hodge
Synthesis And Characterization Of Redox-Active Multidentate Ligands For Catalytic C-H Bond Oxidation And Carbon Dioxide Reduction, Caroline Hodge
Honors Theses
This thesis focuses on two research projects. The first project reported in Chapter 1 involves the synthesis and application of a tetradentate ligand (2-(1,1-di(pyridin-2-yl)ethyl)-1,10-phenanthroline, PhenPY2Me) that is metalated with iron to give a catalyst capable of carbon-hydrogen (C-H) bond oxidation. C-H bond oxidation provides a method that may allow some transformations in organic syntheses to be streamlined. The mononuclear iron complex supported by PhenPY2Me was found to dimerize in the presence of O2 in a non-coordinating solvent. These iron complexes and a previously reported system were assessed and compared in C-H bond oxidation with model substrates using the sacrificial …
Fast Photochemical Oxidation And Footprinting Of Proteins Via Trifluoromethyl Radical Chemistry, Elaine Morrow
Fast Photochemical Oxidation And Footprinting Of Proteins Via Trifluoromethyl Radical Chemistry, Elaine Morrow
Honors Theses
Fast photochemical oxidation of proteins (FPOP) is a useful tool in proteomics because of the ability for modifications to occur on the scale of microseconds which reduces the modifications to tertiary and quaternary structure allowing for more accurate labeling of the protein. Labels for FPOP are generated from various radicals in our experiments which include hydroxyl radicals and trifluoromethyl radicals. Hydroxyl radicals are easily generated by using an excimer laser (KrF laser, 248 nm) or a UV flash lamp (as a part of the Fox™ System) by the photolysis of hydrogen peroxide. Trifluoromethyl radicals, however, need hydroxyl radicals to be …
Relative Energy Comparison For Various Water Clusters Using Mp2, Df-Mp2, And Ccsd(T):Mp2 Methods, Qihang Wang
Relative Energy Comparison For Various Water Clusters Using Mp2, Df-Mp2, And Ccsd(T):Mp2 Methods, Qihang Wang
Honors Theses
The study of water clusters is an important area of research in many disciplines, such as biology, physical chemistry, and environmental studies. However, due to the difficulty in studying larger water clusters, such as clathrate hydrates, it is beneficial to obtain accurate descriptions of smaller water clusters to use as models for larger systems via computational methods. By starting with small water clusters, such as (H2O)6, and moving into larger systems it is possible to build up data on various water structures that can determine the energetics of the various geometries within a certain number of water molecules. …
Observing Reactive Events At The Aqueous Graphene Oxide Interface Using Deep Neural Network Potentials, Lukas Kim
Honors Theses
No abstract provided.
Mathematica Assessment Of Spatial Reasoning Development After Virtual Reality Collaboration, Arthur Odenheimer
Mathematica Assessment Of Spatial Reasoning Development After Virtual Reality Collaboration, Arthur Odenheimer
Honors Theses
No abstract provided.
Expression And Purification Of Tag-Free Chlamydia Trachomatis Scc4 For Improved Nmr Structural Studies, Peter Howard
Expression And Purification Of Tag-Free Chlamydia Trachomatis Scc4 For Improved Nmr Structural Studies, Peter Howard
Honors Theses
No abstract provided.
Attempted Synthesis & Antibacterial Properties Of Apt-6k Against Ndm-1 K. Pneumoniae, Alec Bofetiado
Attempted Synthesis & Antibacterial Properties Of Apt-6k Against Ndm-1 K. Pneumoniae, Alec Bofetiado
Honors Theses
NDM-1 K. pneumoniae is a highly resistant bacterial organism that is capable of causing debilitating nosocomial infections in immunocompromised patients. Only "last-resort" antibiotics--such as colistin--work against this organism. Therefore, new antibiotics are needed to help fight against these types of infections. APT-6K is a novel compound that was demonstrated to be effective against MRSA with nanomolar concentrations in a prior study. Novel methods of APT-6K synthesis and its testing for antibiotic effects against NDM-1 K. pneumoniae were attempted in this research. APT-6K synthesis was unsuccessful. Commercially-prepared APT-6K also did not demonstrate growth inhibition against NDM-1 K. pneumoniae nor against a …
Electron-Positron Annihilation Lifetime Spectroscopy Of Mgo And Aluminum-Doped Mgo, Elise Liebow
Electron-Positron Annihilation Lifetime Spectroscopy Of Mgo And Aluminum-Doped Mgo, Elise Liebow
Honors Theses
Radiation is a form of energy that can damage materials at an atomic level. This has implications for the mobility of radioactive waste through containment materials. We are characterizing atomic defects in materials by using Electron-Positron Annihilation Lifetime Spectroscopy (EPALS). When an electron and positron come into contact with each other, they annihilate and release two antiparallel 511-keV gamma rays. In a pristine crystalline sample, positrons can easily annihilate with electrons, but in a sample with vacancies/defects in the crystal structure, positrons take longer to annihilate. Therefore, the more vacancies in a sample, the longer the average lifetime of a …
Analyzing The Free Energy Of Ions Sampling A Voltage Gated Sodium Ion Channel, Isabel Varghese
Analyzing The Free Energy Of Ions Sampling A Voltage Gated Sodium Ion Channel, Isabel Varghese
Honors Theses
Voltage gated sodium ion channels are implicated in cardiac diseases, seizures, etc., and they play a role in maintaining ionic homeostasis in cells. Computational studies use prokaryotic model because they are simpler but function similarly to human voltage gated sodium ion channels. This study uses molecular dynamics (MD) to study three specific questions regarding voltage gated sodium ion channels of Magnetococcus marinus. The first question in this study is how the free energy of sodium diffusion compares to that of calcium ion diffusion. We were not able to find any physically significant information due to poor sampling and a lack …