Physical Sciences and Mathematics Commons^™

Computational Design And Molecular Modeling Of Morphine Derivatives For Preferential Binding In Inflamed Tissue, Makena Augenstein, Nayiri Alexander, Matthew Gartner

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

The opioid epidemic has impacted over 10 million Americans in 2019. Opioids, like morphine, bind non-selectively in both peripheral tissue, leading to effective pain relief, and central tissue, resulting in dangerous side effects and addiction. The inflamed conditions of injured tissues have a lower pH (pH = 6–6.5) environment than healthy tissue (pH = 7.4). We aim to design a morphine derivative that binds selectively within inflamed tissue using molecular extension and dissection techniques. Morphine binds to the μ-opioid receptor (MOR) when the biochemically active amine group is protonated. Fluorination of a β-carbon from the tertiary amine group led to …

Nmr Study Of Co2 Capture By Butylamine And Oligopeptide Kdde In Aqueous Solution: Capture Efficiency And Gibbs Free Energy Of The Capture Reaction As A Function Of Ph**, Kaidi Yang, Joseph Schell, Fabio Gallazzi, Wei Wycoff, Rainer Glaser

Chemistry Faculty Research & Creative Works

We Have Been Interested in the Development of Rubisco-Based Biomimetic Systems for Reversible CO₂ Capture from Air. Our Design of the Chemical CO₂ Capture and Release (CCR) System is Informed by the Understanding of the Binding of the Activator CO₂ (^ACO₂) in Rubisco (Ribulose-1,5-Bisphosphate Carboxylase/oxygenase). the Active Site Consists of the Tetrapeptide Sequence Lys-Asp-Asp-Glu (Or KDDE) and the Lys Sidechain Amine is Responsible for the CO₂ Capture Reaction. We Are Studying the Structural Chemistry and the Thermodynamics of CO₂ Capture based on the Tetrapeptide CH₃CO−KDDE−NH₂ ("KDDE") in Aqueous …

Characterization Of An Amine-Thiol Cosolvent System : Ethylenediamine And Mercaptoethanol, Fernanda Giongo Fernandes

Legacy Theses & Dissertations (2009 - 2024)

Since its introduction, the amine-thiol cosolvent system has been successfully utilized for the deposition of various thin-film devices, but its mechanism of action is still uncertain. Herein, we have attempted to dissect some of the chemical characteristics of amine-thiol cosolvents, with a special interest taken towards a mixture of ethylenediamine (en) and mercaptoethanol (ME). Conductivity was measured for multiple amine-thiol combinations at different ratios to determine extent of ionization in solution, with en-ME having one of the highest solution conductivities. Exposing the solution to air for several days was found to decrease the conductivity of en-ME, indicating the formation of …

Co2 Absorption Into Primary And Secondary Amine Aqueous Solutions With And Without Copper Ions In A Bubble Column, Hamed Yousefzadeh, Cansu Güler, Can Erkey, Erdal Uzunlar

Turkish Journal of Chemistry

Chemical absorption of CO2 into aqueous amine solutions using a nonstirred bubble column was experimentally investigated. The performance of CO2 absorption of four different primary and secondary amines including monoethanolamine (MEA), piperazine (PZ), 2-piperidineethanol (2PE), and homopiperazine (HPZ) were compared. The effects of initial concentration of amine, the inlet mole fraction of CO2, and solution temperature on the rate of CO2 absorption and CO2 loading (mol CO2/mol amine) were studied in the range of 0.02-1 M, 0.10-0.15, and 25-40 °C, respectively. The effect of the presence of copper ions in the amine solution on CO2 loading was also studied. By …

Unsymmetrical Zinc Phthalocyanines Containing Thiophene And Amine Groups As Donor For Bulk Heterojunction Solar Cells, Gülnur Keser Karaoğlan, Öznur Dülger Kutlu, Ahmet Altindal

Turkish Journal of Chemistry

Photovoltaic technology is an alternative resource for renewable and sustainable energy and low costs organic photovoltaic devices such as bulk-heterojunction (BHJ) solar cells, which are selective candidates for the effective conversion of solar energy into electricity. Asymmetric phthalocyanines containing electron acceptor and donor groups create high photovoltaic conversion efficiency in dye sensitized solar cells. In this study, a new unsymmetrical zinc phthalocyanine was designed and synthesized including thiophene and amine groups at peripherally positions for BHJ solar cell. The structure of the targeted compound (4) was characterized comprehensively by FT-IR, UV-Vis, 1H-NMR, and MALDI-TOF MS spectroscopies. The potential of this …

Synthesized Tripodal Amine As Potential Anti-Cancer Therapeutic, Abigail G. Mcnamee

Honors College Theses

Cancer remains a prevalent disease today. This disease may manifest itself in many different ways and affect a variety of tissues with everything from the brain to the blood. With this wide diversity of cancer types, treatment can be complicated since there is not a “one size fits all” treatment for the disease. Surgery, radiation, and chemotherapy are all options that must be weighed with their benefits and side effects. Ultimately though, there are not enough effective treatment options available for every type of cancer. This leaves many with the grim prognosis of never being cured. With this clear need …

Facile And Efficient Synthesis Of Thiosemicarbazone Derivatives With Functionalized Pendant Amines., Anna E Davis

College of Arts & Sciences Senior Honors Theses

Bis-thiosemicarbazones are an important class of ligands for the synthesis of transition metal complexes with applications in medicine and electrochemistry.^1,2 Among the most studied of these complexation ligands is diacetyl-2,3-bis(N⁴-methyl-3-thiosemicarbazone) (denoted as ATSM, 1, Figure 1).^2,3 Derivatives of 1 with various amines in place of the methylamine of ATSM have previously been reported, including diacetyl (N⁴-methylthiosemicarbazone-N⁴′-dimethylthio-semicarbazone) (denoted as ATSM/DM, 2).⁴ In this work, we pursue the development of a library of ATSM derivatives with a variety of functionalized pendant amines with a range of electronic and steric …

Engineering Surface Amine Modifiers Of Ultrasmall Gold Nanoparticles Supported On Reduced Graphene Oxide For Improved Electrochemical Co2 Reduction, Yong Zhao, Caiyun Wang, Yuqing Liu, Douglas R. Macfarlane, Gordon G. Wallace

Australian Institute for Innovative Materials - Papers

Ultrasmall gold (Au) nanoparticles with high mass activity have great potential for practical applications in CO2electroreduction. However, these nanoparticles often suffer from poor product selectivity since their abundant low-coordinated sites are favorable for H2evolution. In this work, a catalyst, reduced graphene oxide supported ultrasmall Au nanoparticles (≈2.4 nm) is developed which delivers high Au-specific mass activities (>100 A g-1) and good Faradaic efficiencies (32-60%) for the CO2-to-CO conversion at moderate overpotentials (450-600 mV). The efficiencies can be improved to 59-75% while retaining the ultrahigh mass activities via a simple amine-modification strategy. In addition, an amine-structure-dependent effect is revealed: linear …

Enhancements In Mass Transfer For Carbon Capture Solvents Part I: Homogeneous Catalyst, Leland R. Widger, Moushumi Sarma, Jonathan J. Bryant, David S. Mannel, Jesse G. Thompson, Cameron A. Lippert, Kunlei Liu

Center for Applied Energy Research Faculty and Staff Publications

The novel small molecule carbonic anhydrase (CA) mimic [Co^III(Salphen-COO⁻)Cl]HNEt₃ (1), was synthesized as an additive for increasing CO₂ absorption rates in amine-based post-combustion carbon capture processes (CCS), and its efficacy was verified. 1 was designed for use in a kinetically slow but thermally stable blended solvent, containing the primary amines 1-amino-2-propanol (A2P) and 2-amino-2-methyl-1-propanol (AMP). Together, the A2P/AMP solvent and 1 reduce the overall energy penalty associated with CO₂ capture from coal-derived flue gas, relative to the baseline solvent MEA. 1 is also effective at increasing absorption kinetics of kinetically fast solvents, such …

Printed Ionic-Covalent Entanglement Hydrogels From Carrageenan And An Epoxy Amine, Shannon Bakarich, Paul Balding, Robert Gorkin Iii, Geoffrey Spinks, Marc In Het Panhuis

Robert Gorkin III

Carrageenan/epoxy amine ionic-covalent entanglement hydrogels were fabricated on a 3D printer. The thermal gel transition behaviour of the biopolymer kappa-carrageenan was exploited to fix the shape of the patterned ink until a covalent polymer network formed by epoxy amine addition chemistry. The printed hydrogels display a work of extension value of 1.4 ± 0.3 MJ m-3.

Statistical Variation Of Diverse Light Emission Measurements From Bisphenol/Amine Epoxy Under Energetic Electron Bombardment, Justin Christensen

Physics Capstone Projects

Dielectric materials subjected to energetic electron fluxes can emit light in several forms. We have observed three distinct types of emissions: (i) short-duration (<1 ms), high-intensity electrostatic discharge (ESD) or “arc” events; (ii) intermediate-duration, high-intensity events which begin with a bright arc followed by an exponential decay of intensity (~10 to 100 s decay constant), termed “flares”; and (iii) long-duration, low-intensity emission, or cathodoluminescence, that continues as long as the electron flux is on. These events were studied for bulk samples of bisphenol/amine epoxy, using an electron gun with varying current densities (0.3 to 5 nA/cm2) and energies (12 to 40 keV) in a high vacuum chamber. Light emitted from the samples was measured with a high-sensitivity visible to near-infrared video camera. Results of the spatial and temporal extent for each type of event are presented as well as a discussion of how absolute spectral radiance and rates for each type of event are dependent on incident electron current density, energy, and power density and on material type, temperature, and thickness. Applications of this research to spacecraft charging and light emissions are discussed.

Printed Ionic-Covalent Entanglement Hydrogels From Carrageenan And An Epoxy Amine, Shannon Bakarich, Paul Balding, Robert Gorkin Iii, Geoffrey M. Spinks, Marc In Het Panhuis

Australian Institute for Innovative Materials - Papers

Carrageenan/epoxy amine ionic-covalent entanglement hydrogels were fabricated on a 3D printer. The thermal gel transition behaviour of the biopolymer kappa-carrageenan was exploited to fix the shape of the patterned ink until a covalent polymer network formed by epoxy amine addition chemistry. The printed hydrogels display a work of extension value of 1.4 ± 0.3 MJ m-3.

Aqueous Dabco, An Efficient Medium For Rapid Organocatalyzed Knoevenagel Condensation And The Gewald Reaction, Mohammad Saeed Abaee, Somayeh Cheraghi

Turkish Journal of Chemistry

In the presence of water and 1,4-diazabicyclo[2.2.2]octane, several aldehydes and cyclic ketones underwent efficient Knoevenagel condensation with malononitrile and ethyl cyanoacetate to produce the respective \alpha.\beta-unsaturated systems within fairly short time periods. As a result, high yields of conjugated products were easily obtained. Products could be engaged in a Gewald reaction, either stepwise or in situ, to produce efficiently their respective 2-aminothiophenes within 4--7 h.

Efficient One-Pot Alkylation Of Imines Using Nanosilver Iodide In Aqueous Media, Javad Safaei Ghomi, Ahmad Kakavand-Qalenoei, Mohammad Ali Ghasemzadeh, Masoud Salavati-Niasari

Turkish Journal of Chemistry

An efficient ecofriendly method for the alkylation reaction of various imines is described by a simple one-pot reaction of aldehydes, amines and alkyl iodides in the presence of AgI nanoparticles in aqueous media. Silver iodide nanoparticles mediated an enhanced rate and facility of reaction and showed high influence in the green synthesis of some amine derivatives. Moreover, this nanoparticle increased the yields of products and decreased the reaction times in all cases. The heterogeneous mediator was fully characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and FT-IR experimental techniques.

Ultrasound-Assisted Aza-Michael Reaction In Water: A Green Procedure, Debasish Bandyopadhyay, Sanghamitra Mukherjee, Luis C. Turrubiartes, Bimal K. Banik

Chemistry Faculty Publications and Presentations

The conjugate addition of amines to conjugated alkenes (commonly known as aza-Michael reaction) constitutes a key step for the synthesis of various complex natural products, antibiotics, α-amino alcohols and chiral auxiliaries. Ultrasound-induced addition of several amines to α, β-unsaturated ketones, esters and nitriles has been carried out very efficiently in water as well as under solvent-free conditions. No catalysts or solid supports have been used in this method. Remarkable enhancement of reaction rate has been observed in water under ultrasound-induced method. This environmentally benign procedure has provided clean formation of the products with better selectivity.

A Mild One-Pot Conversion Of Alkenes Into Amines Through Tandem Ozonolysis And Reductive Amination, Shivakumar Kyasa, Thomas J. Fisher, Patrick Dussault

Patrick Dussault Publications

The selective reduction of hydroperoxyacetals to aldehydes by sodium triacetoxyborohydride provides the basis for a mild one-pot synthesis of amines from alkenes.

Includes Supplementary Materials.

Phosphoric Acid Catalyzed Aza-Michael Reaction In Water: An Ecofriendly Procedure, Debasish Bandyopadhyay, Stephanie Maldonado, Bimal K. Banik

Chemistry Faculty Publications and Presentations

Phosphoric acid catalyzed aza-Michael reaction in water has been carried out in an efficient manner at room temperature. The reaction is general for primary, secondary (cyclic, heterocyclic and acyclic), benzylic as well as aromatic amines. No bis-addition was observed for primary amines.

The Development Of An Effective Water-Soluble Receptor For Pyrene Derivative Dyes, Ashley Longstreet

Undergraduate Theses and Capstone Projects

A receptor with enhanced water solubility was synthesized from an existing receptor to be used as a pyranine fluorescence quencher in endovesiculation detection assays. The existing receptor consisted of a cyclen core with four protruding arms containing an aryl nitro group at each end. Its poor water solubility limited the accuracy and precision of the endovesiculation assay because the low concentration of receptor did not match the concentration of pyranine. To increase the water solubility, ethoxy groups were attached to the ends of each arm by first selectively reducing the nitro group to an amine with NaBHU4, H2, and a …

Solubilizing Single Walled Carbon Nanotubes By Direct Reaction With Amines And Alkylaryl Amines, Robert C. Haddon, Jian Chen

Chemistry Faculty Patents

Naked single-walled nanotube carbon metals and semiconductors are dissolved in organic solutions by direct functionalization with amines or alkylaryl amines having an uninterrupted carbon chain of at least 5 and more preferably 9 carbon atoms in length.