Chemistry Commons^™

Self-Immolative Polyplexes For Dna Delivery, Quinton E. A. Sirianni, Tianduo Wang, Aneta Borecki, Zhengyu Deng, Elizabeth R. Gillies, John A. Ronald

Chemistry Publications

Nucleic acids have immense potential for the treatment and prevention of a wide range of diseases, but delivery vehicles are needed to assist with their entry into cells. Polycations can reversibly complex with nucleic acids via ionic interactions to form polyplexes and transport them into cells, but they are still hindered by the need to balance cytotoxicity and delivery effectiveness. In this work, we describe a new self-immolative polyglyoxylamide (PGAm) platform designed to address these challenges by complexing nucleic acids viamultivalent interactions in the polymeric form and releasing them upon depolymerization. Nine PGAms were synthesized and characterized, with different …

A Quantum Mechanical Description Of The Diffusion Properties Of C1-C2 Hydrocarbon Molecules In Mof-74-Mg, Gemechis Degaga, Amanda Studinger, Loredana Valenzano-Slough

Michigan Tech Publications

Among the numerous metal organic framework (MOF) families, of significant importance is the MOF-74-M series (M = metal, -also known as CPO-27-M), characterized by a high density of not fully coordinated open metal site centers; this peculiarity has been demonstrated to translate into a higher hydrocarbons’ separation potential than other known MOFs and zeolites. To provide a more comprehensive description of the behavior of the hydrocarbon molecules within the MOF-74 cavity, diffusion processes and corresponding diffusion barriers of small hydrocarbons in the MOF-74-Mg were modeled. This work provides a description of the molecular transport processes of CH4, C2H2, C2H4 and …

Cell‑Controlled Dynamic Surfaces For Skeletal Stem Cell Growth And Differentiation, Hilary J. Anderson, Jugal Kishore Sahoo, Julia Wells, Sebastiaan Van Nuffel, Hala S. Dhowre, Richard O. C. Oreffo, Mischa Zelzer, Rein V. Ulijn, Matthew J. Dalby

Advanced Science Research Center

Skeletal stem cells (SSCs, or mesenchymal stromal cells typically referred to as mesenchymal stem cells from the bone marrow) are a dynamic progenitor population that can enter quiescence, self-renew or differentiate depending on regenerative demand and cues from their niche environment. However, ex vivo, in culture, they are grown typically on hard polystyrene surfaces, and this leads to rapid loss of the SSC phenotype. While materials are being developed that can control SSC growth and differentiation, very few examples of dynamic interfaces that reflect the plastic nature of the stem cells have, to date, been developed. Achieving such interfaces is …

Synthesis, Characterization, And Bioactivity Of 3-Substituted Coumarins As An Undergraduate Project, Karsen King, Nicholas Campbell, Ronald Okoth, Wathsala Medawala

Georgia Journal of Science

Coumarins are an important class of phytochemicals, a chemical defense presumed to be secreted by plants. More recently, Coumarins have gathered popularity for their basis in anti-cancer agents. This paper dives into the organic synthesis of two 3-substituted coumarins from o-vanillin using the Knoevenagel condensation reaction. The 3-substituted coumarin were characterized using melting point analysis, ¹H-NMR, and UV-Vis spectroscopy. In addition, the anticancer activity of synthesized 3-substituted coumarin compounds were assayed against topoisomeraseIIα, which is the target enzyme of FDA approved anti-cancer drug etoposide since it is an active enzyme in cancer cell replication. The demonstrated procedures can be …

Dr. Lawrence J. Berliner, Anit Tyagi

DU Undergraduate Research Journal Archive

An interview with Dr. Lawrence J. Berliner.

Du Undergraduate Showcase: Research, Scholarship, And Creative Works: Abstracts, Emma Aggeler, Elena Arroway, Daisy T. Booker, Justin Bravo, Kyle Bucholtz, Megan Burnham, Nicole Choi, Spencer Cockerell, Rosie Contino, Jackson Garske, Kaitlyn Glover, Caroline Hamilton, Haley Hartmann, Madalyne Heiken, Colin Holter, Leah Huzjak, Alyssa Jeng, Cole Jernigan, Chad Kashiwa, Adelaide Kerenick, Emily King, Abigail Langeberg, Maddie Leake, Meredith Lemons, Alec Mackay, Greer Mckinley, Ori Miller, Guy Milliman, Katherine Miromonti, Audrey Mitchell, Lauren Moak, Megan Morrell, Gelella Nebiyu, Zdenek Otruba, Toni V. Panzera, Kassidy Patarino, Sneha Patil, Alexandra Penney, Kevin Persky, Caitlin Pham, Gabriela Recinos, Mary Ringgenberg, Chase Routt, Olivia Schneider, Roman Shrestha, Arlo Simmerman, Alec Smith, Tessa Smith, Nhi-Lac Thai, Kyle Thurmann, Casey Tindall, Amelia Trembath, Maria Trubetskaya, Zachary Vangelisti, Peter Vo, Abby Walker, David Winter, Grayden Wolfe, Leah York

DU Undergraduate Research Journal Archive

Abstracts from the DU Undergraduate Showcase.

Editorial Board

Karbala International Journal of Modern Science

No abstract provided.

Simulating Photo-Disintegration Of 137cs Radioactive Waste Using Various Energies Of Gamma Photons, Hassanain H. Alkazzaz, Asia H. Al-Mashhadani, Kamal H. Lateef

Karbala International Journal of Modern Science

In this study, the possibility of using gamma-ray in photo-disintegration method was examined so that it can be used in the remediation of 137Cs radionuclides waste materials by nuclear transmutation to convert long-lived nuclides to other isotopes nuclides, which are shorter half-life (or stable), by different photo-nuclear reaction channels (γ,n), (γ,2n), (γ,p), (γ, a), (γ,d). A simulation code has been written using MATLAB for conducting calculations of reduction and residual. The results showed that gamma-ray fluxes below 1017 [cm-2 s-1] are not adequate to perform effective incinera-tion of 137Cs, and as for gamma flux of 1018 [cm-2 s-1] it showed …

Engineering Of A Multi-Epitope Subunit Vaccine Against Sasrs-Cov-2 Through The Viroinformatic Approach, Aamir Shehzada, Christijogo Sumartono, Jusak Nugraha, Helen Susilowatid, Andi Yasmin Wijayab, Hafiz Ishfaq Ahmad, Wiwiek Tyasningsih, Fedik Abdul Rantam

Karbala International Journal of Modern Science

The COVID-19 outbreak has infected millions of people worldwide, but no vaccine has been discovered to combat it efficiently. This research aims to design a multi-epitope vaccine using highly efficient B- and T-cell epitopes from the SARS-CoV-2 Surabaya isolate through a viroinformatic approach. First, the putative epitopes were linked together to develop tertiary structures and then docked with toll-like receptor 4 (TLR-4) that demonstrated a robust interaction with a low eigenvalue of 4.816138 e-06. Furthermore, the structure's high immunogenic response was observed and successfully cloned into the expression vector pET28a (+). This implies that the designed vaccine can prove effective …

Synthesis, Characterization And Cellular Uptake Of Magnesium Complexes Of Pyrones And Amino Acids, Derek Robert Case

Dissertations - ALL

This thesis focuses on the treatment of micronutrient deficiency, specifically hypomagnesemia, through the synthesis and solution- and solid-state characterization of "pharma grade", biorelevant magnesium complexes (nutraceuticals) utilizing short-chain peptides (di- and tri-), pyrones, and amino acids. There is further emphasis placed on determining the in vitro uptake of all produced complexes. This work aims to mitigate the shortcomings of current magnesium supplements and better illustrate an understanding of the factors impacting magnesium uptake. Specifically, 1) There is a paucity of information regarding the coordination of biorelevant ligands to magnesium, most of which was investigated between the 1950s and 1980s, and …

Signaling Studies Of Protein-Peptide Binding On Microelectrode Arrays, Kendra White

Arts & Sciences Graduate Student Theses and Dissertations

Electrochemical methods provide unique opportunities for non-traditional synthesis and analytical studies. Using electrochemistry, we are able to synthesize individually addressable molecular surfaces on microelectrode arrays and then utilize the surface to probe interactions between receptors and their biological targets. To date, cyclic voltammetry signals can be used to detect biological interactions between proteins and small molecules on the surface of an array, however those signals are often amplified by the presence of a large number of small molecules by any given electrode. This amplification makes it difficult to obtain binding data using the arrays that can be compared with existing …

Monitoring Bacteria Cultures Using Near Infrared (Nir) Binary Spectronephelometry (Bsn), Raman Spectra And Principal Component Analysis (Pca), Steven Ortiz

Dissertations - ALL

Current noninvasive methods cannot continuously and simultaneously monitor the concentrations of cells and media components that define the state of native bacterial cultures, because of changing turbidity. A new technique, binary spectronephelometry (BSN) has the same or better sensitivity and precision for population monitoring as optical density at 600nm (OD600), while simultaneously measuring metabolic processes. The BSN algorithm uses laser induced emission to probe mildly turbid media i.e., propagation of light occurs in the single scattering regime. A BSN "training set" associates a grid of elastic emission measurements, comprising Rayleigh and Mie scattering, and inelastic emission measurements, comprising fluorescence and …

Trichloroacetimidates As Outstanding Electrophiles For The Carbon-Nitrogen, Carbon-Oxygen And Carbon-Carbon Bonds Formation And Synthetic Studies Of Protein Phosphatase-5 (Pp5) Small Molecule Inhibitors, Nilamber Mate

Dissertations - ALL

Trichloroacetimidates have been previously used for glycosidic bond formation in carbohydrate chemistry and in Friedel-Craft reactions. Traditionally, trichloroacetimidates had be synthesized using an alcohol and strongly basic conditions, but in recent years milder preparation methods have been reported. Given the ease of preparation of these versatile reagents, their chemistry has been explored intensely in recent years. While few reported methods suggest they can react under promoter free conditions, activation by Lewis or Brønsted acid leads to a formation of a carbocation from benzylic trichloroacetimidates. Work described herein makes use of these convenient carbocation precursors for new reactions.Isatin is an ambidentate …

The Evaluation Of Radiometal Labeled Biomolecules For Imaging And Therapeutic Applications, Truc Huynh

Arts & Sciences Graduate Student Theses and Dissertations

Radiometals play a crucial role in nuclear medicine for the diagnosis and therapy of various diseases including cancer and neurological disorders. In fact, there is a broad range of radiometals that are currently in use for imaging and therapy such as 99mTc, 89Zr, 68Ga, 177Lu, and 64/67Cu. Radiometal use in nuclear medicine has been stimulated by advances in radionuclide production that allow for fast, reliable, and cost-efficient production and an extensive understanding of molecular targets and tumor biomarkers. In recent years, there has been a growing interest in theranostics - the combination of imaging and therapy related to the same …

Steps Toward The Total Synthesis Of The Chrysosporazine Family, Katie Kaczynski

Electronic Theses and Dissertations

Cancer is one of the leading causes of death worldwide, with 19.3 million new cancer cases and 10 million deaths in 2020 alone. In the United States, cancer was the second leading cause of death after heart disease. One of the reasons that cancer is so frequently terminal is that cancerous cells frequently develop multidrug resistance (MDR) to frontline chemotherapeutical treatments, resulting in cancers cannot be treated and are inevitably fatal. This makes the discovery of ways to combat MDR so important in the treatment of cancer. The chrysosporazines are a family of recently discovered (2019) natural products that have …

Soymeal Based Bio-Based Adhesive For Wood Application, Prashant Kote

Electronic Theses & Dissertations

Introducing bio-based materials as an alternative to petroleum-based products has been the greatest challenge for the industry which may reduce environmental problems. Currently, most of the wood adhesive is prepared using formaldehyde which is a non-renewable source as well as toxic. In this research, soybean meal was used as a renewable bio-based source for wood adhesive which has a potential to replace formaldehyde-based adhesives. In this study, soymeal was chemically modified, characterized, and evaluated for its adhesion performance, flow behavior, service life, and thermal stability.

In the first, soymeal was modified using acid (HCl), alkali (NaOH), and salt (CaCl_{2 …}

Transistion Metal Chalcogenides And Phosphides For Energy Storage And Conversion Through Water Splitting, Kelsey Thompson

Electronic Theses & Dissertations

In contemporary society, there are many different ways that energy is used in daily life. From applications that require a high energy density to long-term storage in a stable manner, the requirements for energy usage are diverse. Therefore, the greater the number of uses a designed material exhibits, the more practical it may be for wide-scale manufacture. Two areas of particular interest for energy applications are fuel cells (to generate energy) and supercapacitors (to store energy). To provide cheaper and more durable alternatives for energy storage, electrodes containing CoMoO₄, NiMoO₄, CoMoS₄, NiMoS₄, …

One-Step Synthesis Of Corn Oil-Based Polyol For Highly Flame-Retardant Rigid Polyurethane Foams, Tenzin Ingsel

Electronic Theses & Dissertations

Rigid polyurethane foams (RPUF), heavily utilized in construction, refrigeration, and the automotive industries, are a significant class of polyurethanes. They can substantially enhance energy efficiency by improving thermal insulation. However, the application of petrochemical sources in polyurethane has raised environmental concerns.

Such concerns call for the development and application of new bio-based polyurethanes to potentially reduce humanity's over-reliance on nonrenewable sources.

In this work, corn oil-based polyol was synthesized via popularized thiol-ene reaction. The obtained polyol was characterized by wet chemistry methods, spectroscopic evaluations, and chromatography. Non-halogenated flame retardants of cost-effective and environmentally friendly nature were incorporated into the polyurethane …

Statistical Analyses Of Hemp Cannabinoid Test Results, Rachel J. Stegmeier

Senior Honors Projects, 2020-current

Cannabis sativa L. is a flowering plant used for recreational and industrial purposes that produces a class of compounds called cannabinoids. Industrial hemp is a strain of Cannabis sativa L. that has been propagated to have a low Δ 9 tetrahydrocannabinol (Δ⁹THC) and a high cannabidiol (CBD) content. With recent advancements in legislation, farms are now growing hemp for fiber, CBD production and other hemp derived product purposes but crops risk being destroyed if THC content levels exceed the current maximum legal limit of 0.3%. For the present study hemp samples were dried, ground, extracted with various alcohols, …

Biomaterials: From Scaffold Design To Implant Optimization, Jennifer Marie Armen

Electronic Theses and Dissertations

This work encompasses three individual projects concerning biomaterials and their modifications. Chemically-Induced Cross-Linking of Peptidic Fibrils for Scaffolding Polymeric Particles and Macrophages EAK16-II (EAK) is a self-assembling peptide (SAP) that forms β-sheets and βfibrils through ionic-complementary interactions at physiological ionic strengths. The soft materials can be injected in vivo, creating depots of drugs and cells for rendering pharmacological and biological actions. The scope of the applications of EAK is sought to extend to tissues through which the flow of extracellular fluid tends to be limited. In such anatomical locales the rate and extent of the fibrilization are limited insofar as …

Synthesis Of Conjugated Polymers From Xanthene And Alkenyl Flanked Diketopyrrolopyrrole Monomers For High-Performance Electronic Applications., Ranganath Wijesinghe Wahalathantrige Don

Theses and Dissertations

In traditional electronics, inorganic materials such as silicon and germanium are used as semiconductors due to their outstanding semiconducting properties. Unfortunately, inorganic materials are rigid due to their high crystalline nature, and processing these materials is complex and expensive. Furthermore, traditional semiconducting materials do not have favorable mechanical properties in applications such as wearable devices and large-area applications with complicated shapes. Conjugated conducting polymers (CCPs) are being explored as alternative materials to conventional semiconductors due to their mechanical properties and high conductivity. CCPs offer properties such as solution and low-temperature processability, flexibility, thermal and optical properties that traditional semiconductors could …

Phosphorus Enriched Modified-Douglas Fir Biochar As A Soil Amendment, Beatrice Arwenyo

Theses and Dissertations

Biochar application as a soil additive is gaining global acceptance. In this era of climate change, biochar use for improved soil productivity is not just a sustainable eco-friendly substitute to synthetic fertilizer, but a noble contributor to the fight against climate change. Although biochar has been accredited with some environmental and agricultural benefits, most studies concentrated on agricultural and biowaste products as feedstocks. This research was designed to explore P-enriched modified-Douglas fir biochar potential as a soil additive. Using corn as a test crop, greenhouse studies were performed on acidic sandy soil, comparing phosphorus enriched modified-Douglas fir biochar efficacy to …

Functionalized Biochar Electrodes For Asymmetric Capacitive Deionization, Hellen Stephanie

Theses and Dissertations

Electrosorption-based capacitive deionization (CDI) has become a viable process for brackish water desalination and defluoridation. In this study, activated Douglas fir biochar is used as a low-cost electrode material with adsorption capacity comparable to activated carbon obtained from biomass precursors. Adding functional groups to the activated biochar enhanced salt removal capacity, providing cation and anion selectivity. The functionalized electrodes were prepared by Nafion, titanium isopropoxide, and p-phenylenediamine treatment, respectively, which introduced sulfonate, titanium dioxide and amine functional groups to the electrode surface. These modification methods are versatile and can be easily performed without sophisticated laboratory environment. Modified biochar electrodes …

A Modular Synthesis Of Processable And Thermally Stable Semi-Fluorinated Aryl Ether Polymers Via Step-Growth Polymerization Of Fluoroalkenes, Ketki Eknath Shelar

Theses and Dissertations

Tailored fluoropolymers remain the leading choice for a wide variety of advanced high-performance applications, including electronic/optical and energy conversion, owing to their unique blend of complementary high-performance properties. Amorphous semi-fluorinated polymers exhibit improved solubility and melt processability when compared to traditional perfluoropolymers. A leading class of semi-fluorinated aryl ether polymers includes perfluorocyclobutyl (PFCB), perfluorocycloalkenyl (PFCA), and fluoroarylene vinylene ether (FAVE) polymers. Monomers containing aromatic trifluorovinyl ethers (TFVE) are used to synthesize PFCB polymers via radical-mediated [2+2] cyclodimerization. On the other hand, FAVE and PFCA polymers are polymerized via base-mediated nucleophilic addition/elimination of bisphenols with TFVE monomers and decafluorocyclohexene respectively. The …

Insights Into Molecular Recognition And Reactivity From Molecular Simulations Of Protein-Ligand Interactions Using Md And Qm/Mm, Jerrano L. Bowleg

Theses and Dissertations

In this thesis, we have employed two computational methods, molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics (QM/MM) MD simulations with umbrella sampling (US), to gain insights into the molecular mechanism governing the molecular recognition and reactivity in several protein-ligand complexes. Three systems involving protein-ligand interactions are examined in this dissertation utilizing well-established computational methodologies and mathematical modeling. The three proteins studied here are acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (PIN1). These enzymes are known to interact with a variety of ligands. AChE dysfunction caused by organophosphorus (OP) chemicals is a severe hazard since AChE is …

Step-Growth Polymerization Of Perfluoro-Vinyl Ether, -Cycloalkenes, And -Acyclic Alkenes With Bisphenols Containing Variable Polycyclic Aromatic Cores, Karl Mpumbwa Mukeba

Theses and Dissertations

This dissertation reports the synthesis and characterization of semi-fluorinated polymers derived from the polymerization of bisphenols with fluoroalkenes. A series of diverse bisphenols were chosen from popular commercial bisphenols and new polycyclic aromatic hydrocarbon (PAH) derived bisphenols requiring synthesis. Step-growth condensation polymerization of bisphenols with three different fluoroalkene types was performed while probing polymerization conditions and the structure/properties relationship of the resulting fluoropolymers. The fluoroalkene monomers were chosen from bis(trifluorovinyloxy)biphenyl (TFVE), perfluorocyclohexene (PFCH), and perfluoro acyclic monomers, namely, perfluoro(4-methyl-2-pentene) and 1-perfluoroheptene to undergo this chemistry.

This work is divided into four parts based on the polymerization methodology.

The first …

Knocking Down Nox: Examining The Effects Of Transportation Electrification On Urban Ozone Production In The South Coast Air Basin, Jason Beal

Macalester Journal of Physics and Astronomy

With last year’s commitment to all in-state sales of new passenger cars and trucks being zero-emission by 2035 (California Executive Order N-79-20), California is leading the charge for transportation electrification in the United States. Despite being at the forefront of climate change management and mitigation, California has some of the worst air quality in the nation. While primarily motivated by a desire to reduce carbon dioxide emissions and reliance on fossil fuels, transportation electrification will also have a significant impact on local air quality. The goal of this study is to quantify and qualify this impact in the context of …

The Identification And Quantification Of Organophosphate Flame Retardants In Raw Materials Utilized In Polyurethane Production, Lindsay Tudor

Master of Science in Chemical Sciences Theses

Flame retardant additives are utilized in various polyurethane applications to comply with industry and flammability standards. Federal regulations and restrictive standards continue to tighten controls on certain impurities found in flame retardant blends. These restrictions include the limitation of organophosphates. Extensive research has been conducted to examine the effects of organophosphates in humans. To date, researchers have predominantly focused on the final product, mainly furniture and bedding products, rather than the raw materials utilized in production. Industrial chemists continue to grapple with the development of an effective method for detecting and quantifying organophosphate compounds in various flame retardant mixtures as …

Prediction And Confirmation Of A Switch-Like Region Within The N-Terminal Domain Of Hsirt1, Angelina T. Huynh, Thi-Tina N. Nguyen, Carina A. Villegas, Saira Montemorso, Benjamin Strauss, Richard A. Pearson, Jason G. Graham, Jonathan Oribello, Rohit Suresh, Brooke Lustig, Ningkun Wang

Faculty Research, Scholarly, and Creative Activity

Many proteins display conformational changes resulting from allosteric regulation. Often only a few residues are crucial in conveying these structural and functional allosteric changes. These regions that undergo a significant change in structure upon receiving an input signal, such as molecular recognition, are defined as switch- like regions. Identifying these key residues within switch-like regions can help elucidate the mechanism of allosteric regulation and provide guidance for synthetic regulation. In this study, we combine a novel computational workflow with biochemical methods to identify a switch-like region in the N-terminal domain of human SIRT1 (hSIRT1), a lysine deacetylase that plays important …

Analyzing The Interactions Of Thermoresponsive Coacervate-Forming Biodegradable Polyester Encapsulation On Model Protein Structure And Activity, Conner Casterline

Master of Science in Chemical Sciences Theses

Protein therapeutics hold high efficacy in treatment for various diseases including cancer and diabetes. However, the treatment cost is generally higher than other therapeutics mainly due to in vivo protein degradation. This drawback creates demand for more efficient delivery methods to preserve the function and integrity of protein therapeutics. Thermoresponsive coacervate-forming biodegradable polyesters (TR-PEs) are a thermoresponsive molecular packaging system used in protein therapeutic research. The term coacervate refers to a phase-separated solution in which a dense polymer phase separates from the aqueous phase to form nanodroplets within solution, capturing bioactive molecules. Limited research demonstrates if TR-PEs can encapsulate and …