Chemistry Commons^™

Polarizable Amoeba Force Field Predicts Thin And Dense Hydration Layer Around Monosaccharides, Luke A. Newman, Mackenzie G. Patton, Breyanna A. Rodriguez, Ethan W. Summer, Valerie Vaissier Welbourn

Chemistry & Biochemistry Faculty Publications

Polarizable force fields crucially enhance the modeling of macromolecules in polar media. Here, we present new parameters to model six common monosaccharides with the polarizable AMOEBA force field. These parameters yield a thinner, but denser, hydration layer than that previously reported. This denser hydration layer results in eliminating non-physical aggregation of glucose in water-an issue that has plagued molecular dynamics simulations of carbohydrates for decades.

B(C₆F₅)₃ Co-Catalyst Promotes Unconventional Halide Abstraction From Grubbs I To Enhance Reactivity And Limit Decomposition, Austin W. Medley, Diya Patel, Calvin Utne, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Ruthenium based Grubbs metathesis has become a commonplace reaction for synthetic chemists. Development of new generations of catalysts evolving from Grubbs I (GI) have led to greater stability, functional group compatibility, and superior reactivities. However, these advancements lead to increased costs. To this end, we report here how the addition of the commercially available tris(pentafluorophenyl)borane Lewis acid, which has become a common place catalyst in its own right, leads to enhanced reactivity of GI. Moreover, the increased reactivity arises via halide abstraction rather than traditional phosphine dissociation, providing ring-opening metathesis polymerization products that are divergent from those synthesized without the …

Toxicity Of Crude Oil-Derived Polar Unresolved Complex Mixtures To Pacific Herring Embryos: Insights Beyond Polycyclic Aromatic Hydrocarbons, Maxwell L. Harsha, Yanila Salas-Ortiz, Alysha D. Cypher, Ed Osborn, Eduardo Turcios Valle, Jacob L. Gregg, Paul K. Hershberger, Yuri Kurerov, Sarah King, Aleksandar I. Goranov, Patrick G. Hatcher, Anastasia Konefal, T. Erin Cox, Justin B. Greer, James P. Meador, Matthew A. Tarr, Patrick L. Tomco, David C. Podgorski

Chemistry & Biochemistry Faculty Publications

Crude oil toxicity to early life stage fish is commonly attributed to polycyclic aromatic hydrocarbons (PAHs). However, it remains unclear how the polar unresolved complex mixture (UCM), which constitutes the bulk of the water-soluble fraction of crude oil, contributes to crude oil toxicity. Additionally, the role of photomodification-induced toxicity in relation to the polar UCM is not well understood. This study addresses these knowledge gaps by assessing the toxicity of two laboratory generated polar UCMs from Cook Inlet crude oil, representing the readily water-soluble fraction of crude oil and photoproduced hydrocarbon oxidation products (HOPs), to Pacific herring (Clupea pallasii …

The Impact Of Biochar's Physicochemical Properties On Sorption Of Perfluorooctanoic Acid (Pfoa), Karen Ane Skjennum, Katinka M. Krahn, Erlend Sørmo, Raoul Wolf, Aleksandar I. Goranov, Patrick G. Hatcher, Thomas Hartnik, Hans Peter H. Arp, Andrew R. Zimmerman, Yaxin Zhang, Gerard Cornelissen

Chemistry & Biochemistry Faculty Publications

To better characterize properties governing the sorption of per- and polyfluoroalkyl substances (PFAS) to biochar, twenty-three diverse biochars were characterized and evaluated as sorbents for perfluorooctanoic acid (PFOA). Biochars were produced at various temperatures, using two different technologies, and made from sewage sludge, food waste reject, wood wastes, and one reference substrate (wood pellets). The biochars were characterized in terms of surface area, pore volume and pore size distributions, elemental composition, leachable elements, ash content, pH, zeta potential, condensed aromatic carbon (ConAC) content (determined by benzenepolycarboxylic acid (BPCA) markers), and their -OH functional group content (infrared spectroscopy). PFOA sorption isotherms …

Antarctic Polar Stratospheric Cloud Analysis Of Ace-Fts Data From 2005 To 2023, M. Lecours, C. D. Boone, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present an analysis of Antarctic polar winters from 2005 to 2023 as observed by the Atmospheric Chemistry Experiment (ACE). The unique broad band infrared spectral features in ACE “residual” spectra are used to classify the spectra of polar aerosols by composition into polar stratospheric clouds (PSCs) and sulfate aerosols. The spectra of PSCs are further classified into nitric acid trihydrate, supercooled ternary solutions, supercooled nitric acid, ice-mix, and mixtures of PSCs. A breakdown of PSC composition is presented for each year. Antarctic winter seasons with unusual compositions are: 2011, in which volcanic ash mixed with PSCs was observed from …

Cumulative Distribution Function And Spatially Resolved Surface-Enhanced Raman Spectroscopy For The Quantitative Analysis Of Emtricitabine, Jana Hrncirova, Marguerite R. Butler, Sucharita Dutta, Meredith R. Clark, John B. Cooper

Chemistry & Biochemistry Faculty Publications

Surface-enhanced Raman spectroscopy (SERS) has exceptional analytical sensitivity and selectivity. However, SERS irreproducibility presents an obstacle when using it for precise quantitative measurements. In this study, colloidal nanoparticles evaporated to dryness are used as a SERS active surface for the detection of the HIV drug emtricitabine (FTC; trade name Emtriva). Despite the irreproducibility of the SERS resulting from the stochastic process of evaporation, using a SERS scanning instrument, the SERS enhancement factors of spatially resolved spectra have a well-defined distribution of signals for a given analyte concentration. This distribution follows a power law function ranging from weak (very abundant signals) …

Role Of Nitrogenous Functional Group Identity In Accelerating 1,2,3- Trichloropropane Degradation By Pyrogenic Carbonaceous Matter (Pcm) And Sulfide Using Pcm-Like Polymers, Han Cao, Jingdong Mao, Paul G. Tratnyek, Wenqing Xu

Chemistry & Biochemistry Faculty Publications

Groundwater contamination by 1,2,3-trichloropropane (TCP) poses a unique challenge due to its human toxicity and recalcitrance to degradation. Previous work suggests that nitrogenous functional groups of pyrogenic carbonaceous matter (PCM), such as biochar, are important in accelerating contaminant dechlorination by sulfide. However, the reaction mechanism is unclear due, in part, to PCM's structural complexity. Herein, PCM-like polymers (PLPs) with controlled placement of nitrogenous functional groups [i.e., quaternary ammonium (QA), pyridine, and pyridinium cations (py⁺)] were employed as model systems to investigate PCM-enhanced TCP degradation by sulfide. Our results suggest that both PLP-QA and PLP-py⁺ were highly effective …

Evaluating The Influence Of Trypanosomiasis On Murine Model Using Corchorus Olitorius Leaf Extract As A Trypanocidal Agent, Fatima M. Madaki, Adamu Y. Kabiru, Ogunrombi D. Clinton, Sakariyau A. Waheed, Yunusa O. Ibrahim

Chemistry & Biochemistry Faculty Publications

Trypanosomiasis, a parasitic disease caused by trypanosomes, which are flagellate protozoa transmitted through the bite of the tsetse fly, manifests with symptoms including substantial weight loss, anemia, fever, edema, adenitis, dermatitis, and nervous disorders. This research investigated the impact of trypanosomiasis on a murine model while utilizing Corchorus olitorius leaf extract as a potential trypanocidal agent. An acute toxicity analysis was conducted following Lorke's method, and the antitrypanosomal efficacy was assessed in rats at doses of 100, 200, and 400 mg/kg over three weeks, monitoring changes in parasitemia count, body weight, and hematological parameters. Additionally, lipid profile, electrolyte concentration, and …

Type-B Energetic Processes: Their Identification And Implications, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

We have now identified two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type-A energy processes, such as classical heat engines, apparently well follow the second law of thermodynamics; Type-B energy processes, such as the newly discovered thermotrophic function that isothermally utilizes environmental heat energy to perform useful work in driving ATP synthesis, follow the first law of thermodynamics (conservation of mass and energy) but do not have to be constrained by the second law, owing to their special asymmetric functions. Several Type-B energy processes such as asymmetric function-gated isothermal electricity production and epicatalysis have …

Examining The Effectiveness Of Oiled Ballast Water Treatment Processes: Insights Into Hydrocarbon Oxidation Product Formation And Environmental Implications, Maxwell L. Harsha, Danielle E. Verna, Yanila Salas-Ortiz, Eduardo Osborn, Eduardo Turcios Valle, Aleksandar I. Goranov, Patrick G. Hatcher, Ana M. Aguilar-Islas, Patrick L. Tomco, David C. Podgorski

Chemistry & Biochemistry Faculty Publications

Ballast water released from ships into coastal environments has been identified as a mechanism that introduces contaminants of concern into coastal ecosystems. This study investigates the treatment processes employed at a ballast water treatment facility in Valdez, Alaska, that remove hydrocarbons from unsegregated ballast water. Specifically, the aim is to quantify and characterize hydrocarbons of emerging concern, known as dissolved hydrocarbon oxidation products (HOPs) and heavy metals (HMs), throughout the treatment process. Specialized analytical techniques were employed, such as non-volatile dissolved organic carbon analysis, fluorescence spectroscopy, Fourier transform-ion cyclotron resonance-mass spectrometry, and inductively coupled plasma triple quadrupole mass spectrometry. Results …

Advancements In The Synthesis Of Polyoxygenated Oxepanes And Thiepanes For Applications To Natural Products, Aditya R. Pote, Shayne M. Weierbach, Mark W. Peczuh, Kyle M. Lambert

Chemistry & Biochemistry Faculty Publications

Oxepanes are central motifs and tenants of many biologically important molecules, and their synthetic construction often presents a challenge to chemists due to consequential entropic and enthalpic barriers that have limited the synthetic toolbox to access these seven-membered oxacycles. This review covers the breadth of synthetic methods to afford the oxepane/thiepane moiety, with a focus on polyoxygenated oxepanes and includes radical cyclizations, Lewis acid-mediated cyclizations, ring closing-metathesis, Nicholas-Ferrier rearrangement, homologations, and ring-expansion strategies. Implementation of these tactics towards sugar-based and non-sugar based (de novo) approaches is presented alongside their extensive application to the total synthesis of several complex polyoxygenated oxepane-containing …

Editorial: The Marine Iodine Cycle, Past, Present, And Future, Rosie Chance, Gregory A. Cutter, Dalton S. Hardisty, Anoop S. Mahajan

OES Faculty Publications

In this Research Topic, we bring together ten articles from the diverse research communities interested in the marine iodine cycle, including paleoceanographers, atmospheric chemists, and biogeochemists. The physical chemistry underpinning iodine’s chemical speciation and transformations in the ocean is reviewed by Luther; this paper provides a theoretical basis for the field observations presented in this Research Topic.

Intercalibration: A Cornerstone Of The Success Of The Geotraces Program, Ana Aguilar-Islas, Hélène Planquette, Maeve C. Lohan, Walter Geibert, Gregory Cutter

OES Faculty Publications

The international GEOTRACES program was developed to enhance knowledge about the distribution of trace elements and their isotopes (TEIs) in the ocean and to reduce the uncertainty about their sources, sinks, and internal cycling. Recognizing the importance of intercalibration from the outset, GEOTRACES implemented intercalibration efforts early in the program, and consensus materials were generated that included the full range of TEIs dissolved in seawater, in suspended particles, and from aerosols. The GEOTRACES section cruises include “crossover station(s)” that are occupied by two or more sections and whereby all aspects of sample collection, preservation, and processing can be compared and …

Marine Emissions Of Methanethiol Increase Aerosol Cooling In The Southern Ocean, Charel Wohl, Julián Villamayor, Martí Galí, Anoop S. Mahajan, Rafael P. Fernández, Carlos A. Cuevas, Adriana Bossolasco, Qinyi Li, Anthony J. Kettle, Tara Williams, Roland Sarda-Esteve, Valérie Gros, Rafel Simó, Alfonso Saiz-Lopez

OES Faculty Publications

Ocean-emitted dimethyl sulfide (DMS) is a major source of climate-cooling aerosols. However, most of the marine biogenic sulfur cycling is not routed to DMS but to methanethiol (MeSH), another volatile whose reactivity has hitherto hampered measurements. Therefore, the global emissions and climate impact of MeSH remain unexplored. We compiled a database of seawater MeSH concentrations, identified their statistical predictors, and produced monthly fields of global marine MeSH emissions adding to DMS emissions. Implemented into a global chemistry-climate model, MeSH emissions increase the sulfate aerosol burden by 30 to 70% over the Southern Ocean and enhance the aerosol cooling effect while …

Photoluminescence Switching In Quantum Dots Connected With Fluorinated And Hydrogenated Photochromic Molecules, Ephraiem S. Sarabamoun, Jonathan M. Bietsch, Pramod Aryal, Amelia G. Reid, Maurice Curran, Grayson Johnson, Esther H. R. Tsai, Charles W. Machan, Guijun Wang, Joshua J. Choi

Chemistry & Biochemistry Faculty Publications

We investigate switching of photoluminescence (PL) from PbS quantum dots (QDs) crosslinked with two different types of photochromic diarylethene molecules, 4,4'-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (1H) and 4,4'-(1-perfluorocyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (2F). Our results show that the QDs crosslinked with the hydrogenated molecule (1H) exhibit a greater amount of switching in photoluminescence intensity compared to QDs crosslinked with the fluorinated molecule (2F). With a combination of differential pulse voltammetry and density functional theory, we attribute the different amount of PL switching to the different energy levels between 1H and 2F molecules which result in different potential barrier …

The A²Π–X²Σ⁺ Band System Of Yo, Peter F. Bernath, Manish Bhusal, Adam Pastorek

Chemistry & Biochemistry Faculty Publications

YO bands are conspicuous in the spectra of S stars. The laboratory spectrum of the A²Π–X²Σ⁺ electronic transition has been recorded with a Fourier transform spectrometer using a composite-wall hollow cathode lamp source. The A²Π–X²Σ⁺ transition with v ' ≤ 4 and v'' ≤ 4 has been rotationally analyzed using the modern spectral fitting program PGOPHER. Vibronic band strengths were calculated using an ab initio transition dipole moment function. A line list for the A²Π–X²Σ⁺ transition is provided and can be utilized in the modeling …

Synthesis Of Bis-Thioacid Derivatives Of Diarylethene And Their Photochromic Properties, Pramod Aryal, Jonathan Bietsch, Gowri Sankar Grandhi, Richard Chen, Surya B. Adhikari, Ephraiem S. Sarabamoun, Joshua J. Choi, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Diarylethenes (DAEs) are an important class of photoswitchable compounds that typically undergo reversible photochemical conversions between the open and closed cyclized forms upon treatment with UV light or visible light. In this study, we introduced thioacid functional groups to several photochromic dithienylethene (DTE) derivatives and established a method that can be used to prepare these photoswitchable thioacids. Four thioacid-functionalized diarylethene derivatives were synthesized through the activation of carboxylic acids with N-hydroxysuccinimide, followed by reactions with sodium hydrosulfide with yields over 90%. These derivatives exhibited reversible photoswitching and photochromic properties upon treatment with ultraviolet (UV) and visible lights. The thioacid groups …

Quantification Of Antiretroviral Drug Emtricitabine In Human Plasma By Surface Enhanced Raman Spectroscopy, Marguerite R. Butler, Terry A. Jacot, Sucharita M. Dutta, Gustavo F. Doncel, John B. Cooper

Chemistry & Biochemistry Faculty Publications

In this study, reproducible label-free detection and quantification of the antiretroviral drug emtricitabine (FTC) down to 78 ng/mL in human plasma by surface enhanced Raman spectroscopy (SERS) is presented. A novel plasma sample pretreatment method using silver nitrate and silver colloidal nanoparticles (Ag CNPs) was used to prepare the plasma samples for analysis. The pretreated plasma samples were evaporated to dryness on an aluminum surface and a computer-controlled Raman scanning system was used to collect spatially resolved SERS spectra of the entire surface. Calibration curves of commercial human plasma samples containing FTC in a concentration range of 5000 to 78 …

Visible Opacities Of S-Type Stars: The D³Φ–A³Δ Band System Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin

Chemistry & Biochemistry Faculty Publications

ZrO is a well-studied metal monoxide because of its astrophysical importance in characterizing S stars. The bands of the d³Φ–a³Δ system (γ system) with v′≤4 and v" ≤ 5 are rotationally analyzed using the PGOPHER program to provide spectroscopic constants. The high-resolution ZrO emission spectrum was recorded with a Fourier transform spectrometer using a high-temperature carbon furnace source. New ab initio calculations of the transition dipole moment were carried out in order to determine the vibronic band strengths. The spectroscopic constants, along with the band strengths, are used to calculate a line list for the γ system. This line list …

Opacities Of S-Type Stars: The Singlet B¹⊓−X¹Σ⁺, B¹⊓−A¹Δ, And C¹Σ⁺−X¹Σ⁺ Band Systems Of Zro, Peter F. Bernath, Manish Bhusal, Jacques Liévin

Chemistry & Biochemistry Faculty Publications

The ZrO B¹Π–X¹Σ⁺, B¹Π–A¹Δ, and C¹Σ+–X¹Σ⁺ band systems are important opacity sources in the near-infrared and optical spectra of S-type stars. A total of 21 rovibronic bands with v'' ≤ 7 and v' ⩽ 5 were observed and fit for the B¹Π–X¹Σ⁺ transition, five bands for the ⁹⁰ZrO B¹Π–A¹Δ transition and one band for the ⁹⁰ZrO C¹Σ⁺–X¹Σ⁺ transition. All band …

Real-Time Spectroscopic Ellipsometry For Flux Calibrations In Multi-Source Co-Evaporation Of Thin Films: Application To Rate Variations In Cuinse₂ Deposition, Dhurba R. Sapkota, Balaji Ramanujam, Puja Pradhan, Mohammed A. Razooqi Alaani, Ambalanath Shan, Michael J. Heben, Sylvain Marsillac, Nikolas J. Podraza, Robert W. Collins

Electrical & Computer Engineering Faculty Publications

Flux calibrations in multi-source thermal co-evaporation of thin films have been developed based on real-time spectroscopic ellipsometry (RTSE) measurements. This methodology has been applied to fabricate CuInSe₂ (CIS) thin film photovoltaic (PV) absorbers, as an illustrative example, and their properties as functions of deposition rate have been studied. In this example, multiple Cu layers are deposited step-wise onto the same Si wafer substrate at different Cu evaporation source temperatures (TCu). Multiple In₂Se₃ layers are deposited similarly at different In source temperatures (TIn). Using RTSE, the Cu and In₂Se₃ deposition rates are determined as …

Electrospun Pt-Tio₂ Nanofibers Doped With Hpa For Catalytic Hydrodeoxygenation, Amos Taiswa, Randy L. Maglinao, Jessica M. Andriolo, Sandeep Kumar, Jack L. Skinner

Civil & Environmental Engineering Faculty Publications

Electrospinning is utilized to fabricate catalytic nanofiber scaffold for biocrude upgrading in hydrodeoxygenation (HDO) following computational studies suggesting the need for nano-catalysts for efficient HDO conversion and selectivity. Here, Pt-TiO₂ nanofibers are fabricated through electrospinning, followed by wet impregnation with a heteropoly acid (HPA), tungstosilicic acid. Intensive heat treatments were incorporated during and after processes to obtain a HPA doped Pt-TiO₂ nano-catalyst. Catalytic HDO was performed in a batch reactor with phenol as the raw biocrude dissolved in hexadecane. The HPA doped Pt-TiO₂ catalyst demonstrated promising HDO performance of 37.2% conversion and a 78.9% selectivity to oxygen …

Lithium Extraction From Aqueous Solution Using Magnesium Doped Lithium Ion-Sieve Composite, Ujjwal Pokharel

Civil & Environmental Engineering Theses & Dissertations

This study focused on the development of a magnesium doped ion-sieve composite to extract lithium from an aqueous solution using adsorption process. The extraction process will provide a sustainable alternative to the currently practiced solar evaporation/concentration method which is very slow (takes 24 months) and water intensive. Currently, most of the lithium in the world comes from the mining of lithium or from the evaporative extraction process from the brine. Additionally, the Salton Sea area geothermal brines are recognized as potentially important domestic sources of lithium. Lithium concentration in geothermal brines from the Salton Sea area is reported to be …

Structural Insights Into The Cl-Par-4 Protein: Ionic Requirements, Conformational Transitions, And Interaction With Cisplatin, Krishna Kumar Raut

Chemistry & Biochemistry Theses & Dissertations

Cancer continues to be the leading global cause of death, with challenges in early diagnosis, drug resistance, non-specific drug targeting, and cancer recurrence and metastasis posing formidable obstacles in cancer therapy. In this context, Prostate Apoptosis Response-4 (Par-4), a pro-apoptotic tumor suppressor protein, emerged as a promising therapeutic target due to its ability to selectively induce apoptosis in cancer cells, thereby minimizing the drug-associated adverse effects. However, a comprehensive understanding of the structural features of Par-4, specifically the caspase-cleaved fragment (cl-Par-4), is crucial for therapeutic advancements.

This dissertation investigated the effects of various ions, both monovalent and divalent, on the …

Synthesis And Characterization Of Cobalt(Iii) Complexes And A Vanadium(Iv) Complex With Flavonoids As Ligands, Ethan Schroeder

Chemistry & Biochemistry Theses & Dissertations

For many years now, transition metal complexes have been used as favorable additional chemotherapeutic approaches to medicine that were previously unexplored in the literature. One well-known chemotherapeutic drug, cisplatin, has been applied, but is limited in use due to its toxicity to the cells and its undesirable side effects to humans. Newly developed cobalt-based complexes with ligands known as flavonoids are being used to fight cancer. Flavonoids, compounds mainly found in fruits and vegetables, are shown to have antioxidative and anticancer properties. Use of flavonoids as ligands in transition metal complexes, e.g., those with a Ru(II) metal center, have been …

Metals And Metal Complexes In Diseases With A Focus On Covid-19: Facts And Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis

Chemistry & Biochemistry Faculty Publications

In the present Special Issue on “Metals and Metal Complexes in Diseases with a Focus on COVID-19: Facts and Opinions”, an attempt has been made to include reports updating our knowledge of elements considered to be potential candidates for therapeutic applications and certain metal-containing species, which are extensively being examined towards their potential biomedical use due to their specific physicochemical properties. The Special Issue compiles data on the role of metals in COVID-19 and focuses on other illnesses and biological processes that affect metal metabolism. It consists of eight manuscripts, including five review articles and three original research papers (Figure …

Nb3Sn Coating Of Twin Axis Cavity And Other Complex Srf Cavity Structures, Jayendrika Kumari Tiskumara

Physics Theses & Dissertations

In the field of Accelerator Science, for the low cost and increased quality factor, thin films coated niobium cavities are used in the modern SRF research. Within the potential substances, Nb₃Sn has shown higher critical temperature than niobium. Here the tin vapor diffusion method is used as the preferred technique to coat niobium cavities. So far, only elliptical cavities have been coated with Nb₃Sn and this technique has not yet been applied to cavities with complex geometries, which are also helpful in the accelerator science field. The Half-wave resonator could provide us data across frequencies of …

Molecular Evidence For The Export Of Terrigenous Organic Matter To The North Gulf Of Mexico By Solid-State 13C Nmr And Fourier Transform Ion Cyclotron Resonance Mass Spectrometry Of Humic Acids, Sarah Ann Ware

Chemistry & Biochemistry Theses & Dissertations

Marine organic matter is mainly believed to originate from autochthonous organic matter, while terrigenous organic matter is assumed to be largely degraded prior to reaching the open ocean or more recently replaced by marine organic matter via a stripping process. Sediment samples along a transect extending from the Mississippi River Birdsfoot Delta to the Mississippi Canyon on the Louisiana continental shelf were examined by advanced analytical techniques, electrospray ionization coupled to a 12T Fourier transform ion cyclotron resonance mass spectrometer (ESI-FTICR-MS) and quantitative solid-state multiple cross polarization magic angle spinning (multi-CPMAS) ¹³C NMR in an effort to understand the …

Synthesis, Characterization, And Cytotoxicity Studies Of A Copper(Ii) Complex With Vanillin 3-Ethyl-Thiosemcarbazone A Ligand, Novia Mann, Ifeoluwa Oyeyemi, Duaa R. Alajroush, Elizabeth A. Tonsel-White, Stephen J. Beebe, Alvin Holder

Undergraduate Research Symposium

Triple-negative breast cancer (TNBC) is one of the most aggressive and challenging breast cancer subtypes to treat, as these cancer cells lack three common receptors: estrogen, progesterone, and human epidermal growth factor receptor 2. The multiple oxidation states transition metals can occupy have made this narrowly explored group popular for anti-cancer research in recent decades. Furthermore, the success of cisplatin, which has platinum as a metal center, while being a cancer-fighting agent with serious side effects, has caused other metal centers to be investigated as possible alternatives as chemotherapeutic drugs. Copper, as a biologically essential metal, makes an attractive candidate …

Architecture Of Heptagonal Metallo-Macrocycles Via Embedding Metal Nodes Into Its Rigid Backbone, A.M.Shashika D. Wijerathna, He Zhao, Qiangqiang Dong, Qixia Bai, Zhiyuan Jiang, Jie Yuan, Jun Wang, Mingzhao Chen, Markus Zirnheld, Rockwell T. Li, Yuan Zhang, Yiming Li, Pingshan Wang

College of Sciences Posters

Metal-organic macrocycles have received increasing attention not only due to their versatile applications such as molecular recognition, compounds encapsulation, anti-bacteria and others, but also for their important role in the study of structure-property relationship at nano scale. However, most of the constructions utilize benzene ring as the backbone, which restricts the ligand arm angle in the range of 60, 120 and 180 degrees. Thus, the topologies of most metallo-macrocycles are limited as triangles and hexagons, and explorations of using other backbones with large angles and the construction of metallo-macrocycles with more than six edges are very rare.

In this study, …