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CHEM2019CASTILLO16416 CHEM

RATIOMETRIC MOLECULAR ROTORS FOR DETERMINING PHASE-TRANSITIONS OF SOFT MATERIALS

Type: Graduate
Author(s): Marlius Castillo Chemistry & Biochemistry Zygmunt Gryczynski Physics & Astronomy Zhangatay Nukureyev Physics & Astronomy
Advisor(s): Sergei Dzyuba Chemistry & Biochemistry
Location: Session: 1; Basement; Table Number: 3

presentation location

Soft matter, such as organogels, waxes and polymer films have found numerous applications in various areas of sciences, engineering and medicine. Ability to assess and monitor their structural organization and physical properties is of the outmost importance. However, there are no convenient methods to accomplish this task.
Small molecule environmental probes have been instrumental in providing information about changes of various types of media upon exposure to external stimuli. Our group has demonstrated the validity of using these probes, also known as molecular rotors, for investigating various types of media. This poster will highlight our efforts on the developments and applications of ratiometirc molecular rotors that allow determining structural integrity as well as properties of various industrially important, medically- and energy-relevant soft matter materials.

(Presentation is private)

CHEM2019CLARK13102 CHEM

Synthesis of Pancratistatin and similar analogs

Type: Undergraduate
Author(s): Brian Clark Chemistry & Biochemistry
Advisor(s): David Minter Chemistry & Biochemistry
Location: Session: 1; 1st Floor; Table Number: 6

presentation location

Pancratistatin is a natural alkaloid that can be isolated from the bulbs of Hymenocallis littoralis, which is a tropical plant commonly referred to as the Spider Lily. Pancratistatin has been shown to have potent cytotoxic anti-tumor activity in biological testing, meaning that it could be a key component for designing natural anti-cancer drugs. The key structural component responsible for the cytotoxic activity of Pancratistatin is the phenanthridone ring system. Pancratistatin has also been proven to combat RNA-containing flaviviruses such as Yellow Fever, Zika, and West Nile Virus. Previously reported procedures for synthesizing Pancratistatin have been reasonably successful, but they all involve the use of lengthy sequences that produce low yields in order to reach the desired product. The purpose of this research project is to provide a more efficient synthesis by increasing the final yield and decreasing the number of steps required. Through successfully synthesizing Pancratistatin, several different analogs of the molecule that contain the phenanthridone ring will also be obtained.

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CHEM2019EBER15332 CHEM

Synthesis of 1,1’-Dideaza-Quinine: A Proof of Concept

Type: Undergraduate
Author(s): Jackson Eber Chemistry & Biochemistry David Minter Chemistry & Biochemistry Adam Montoya Chemistry & Biochemistry
Advisor(s): David Minter Chemistry & Biochemistry
Location: Session: 1; 3rd Floor; Table Number: 3

presentation location

Quinine is a naturally occurring alkaloid found in the bark of the cinchona tree.1 Its medicinal relevance cannot be overstated as it is one of the most widely used anti-malarial drugs in the world.1 While the synthetic pathway to derive quinine is of limited relevance due to its abundance and ease of extraction, the puzzle of engineering reactions to isolate a stereochemically pure product of quinine captivated chemists for generations. The purpose of this study was to prove the conceptual route proposed by Stotter, Friedman, and Minter2 for the stereochemically pure total synthesis of quinine via a non-nitrogenous analog where the two nitrogen atoms of quinine are substituted with carbon atoms. The product of the analogous route is 1,1’-Dideaza-Quinine. Quinine is stereochemically complex, containing four separate stereocenters, thus the synthesis of quinine opens up the possibility of generating sixteen different isomeric structures.3 While the total synthesis of quinine with the correct stereochemistry was accomplished in 2001,3 the proposed route simplifies the process by relying on a stereospecific aldol condensation to eliminate potential isomerization.2 The results of the study validate the proposed route and add to the field of Organic Synthesis by illustrating an example of a stereoselective aldol condensation. Additionally, due to the analogous nature of the synthetic route utilized, many novel compounds were generated adding to the body of knowledge available to the Chemistry community.

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CHEM2019FAHIM64637 CHEM

Unusual Liquid-liquid Phase Separation of Lysozyme Aqueous Solutions at Physiological pH and Salt Concentration

Type: Graduate
Author(s): Aisha Fahim Chemistry & Biochemistry
Advisor(s): Onofrio Annunziata Chemistry & Biochemistry
Location: Session: 1; 3rd Floor; Table Number: 1

presentation location

Liquid-liquid phase separation (LLPS) of protein aqueous mixtures is the reversible condensation of protein-rich micro droplets occurring below a well-defined LLPS temperature. LLPS studies of protein mixtures are fundamental for understanding the membrane-less compartmentalization inside living cells, protein-aggregation diseases, protein-based drug formulations, enzyme-based materials and molecular interactions. It is known that aqueous solutions of the protein lysozyme in the presence of phosphate buffer at neutral pH and physiological salt concentration undergo LLPS upon cooling below ≈ 0 °C. The obtained lysozyme-rich micro droplets rapidly dissolve upon heating above the LLPS temperature. In this work, it will be shown that an apparently undisruptive substitution of phosphate buffer with another well-known buffer, 4-(2-hydroxyethyl)-1-piperazineethanesulfonate (HEPES), to lysozyme aqueous solutions significantly alter the LLPS mechanism. Specifically, contrary to the case of phosphate buffer, the micro droplets produced below ≈ 0 °C remain surprisingly stable upon heating even at ≈ 30-40 °C. Related LLPS studies in both acidic and basic conditions show similar anomalous LLPS behavior. Our results indicate that HEPES triggers a second protein self-assembly process that is catalyzed by LLPS. These findings show that protein aqueous mixtures in the presence of HEPES buffer could be exploited for the preparation of protein-based materials. They also suggest that the combination of a protein self-assembly with LLPS may be a mechanism involved in the formation of membrane-less globular compartments inside the cytoplasm of living cells.

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CHEM2019HENDERSON2011 CHEM

Chemical hardness and orbital overlap in substituted aromatics

Type: Undergraduate
Author(s): Nicholas Henderson Chemistry & Biochemistry Arshad Mehmood Chemistry & Biochemistry
Advisor(s): Benjamin Janesko Chemistry & Biochemistry
Location: Session: 2; Basement; Table Number: 5

presentation location

Hard-soft acid base theory is often used to explain the selectivity of chemical reactions, under the assumption that hard (soft) nucleophiles prefer to react with hard (soft) electrophiles. Computationally, quantifying the relative hardness and softness of different sites in a molecule remains challenging. Our "orbital overlap distance function" allows us to quantify which regions in a molecule contain compact vs. diffuse molecular orbitals. Here we explore the idea that compact molecular orbitals correspond to chemically hard regions, and that diffuse and polarizable orbitals correspond to chemically soft regions. We combine the orbital overlap distance with electrostatic potentials to quantify the hardness and electrophilicity of different sites in heterocyclic aromatic compounds. Results are compared to known experimental trends in aromatic reactivity

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CHEM2019LE4831 CHEM

Formation of Platinum Nanocrystals on Silicon Nanotubes and in vitro Anti-cancer Activity of the composites

Type: Graduate
Author(s): Nguyen Le Chemistry & Biochemistry
Advisor(s): Jeffery Coffer Chemistry & Biochemistry Giridhar Akkaraju Biology
Location: Session: 2; 1st Floor; Table Number: 3

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The semiconductor Silicon (Si) remains a significant material in the electronic device and photovoltaic industries [1]. Especially, nanostructured forms of Si with a porous morphology (pSi) exhibit interesting properties which can be controlled via modulating pore structure and surface chemistry [1]. Recently, synthesis of a unique one-dimensional form of Si, namely nanotubes, with tunable structure (shell thickness, length, inner diameter and porous morphology) has been demonstrated, thereby suggesting newly emerging applications [2]. For instance, recent works have indicated Si nanotubes (SiNTs) can efficiently serve as a reaction vessel for formation of organometal perovskite nanostructures and a template for superparamagnetic iron oxide (Fe3O4) loading [3], [4]. In an observation of dissolution of SiNTs with a porous morphology (pSiNTs), the material readily resorbed in buffered media at physiological conditions in a similar manner to bioactive nanostructured porous silicon, thereby implying potential therapeutic applications of this material [2].
In chemotherapy, platinum-based cancer drugs, such as cisplatin and carboplatin, are widely used as effective drugs against various types of cancer [5]. Interestingly, while elemental platinum nanoparticles (Pt NPs) have been well investigated in diverse catalytic processes, in recent years, Pt NPs have also been discovered as a potent anti-cancer agent in nanomedicine, implying the use of the nanodrug to counteract chemoresistance in some cancer cell lines [6], [7]. Recent reports have also indicated that enhanced cytotoxicity against selected cancer cell lines is ascribed to ultra-small Pt NPs, especially those with size less than 3 nm [7]. In this report, pSiNTs were investigated as a template for the formation of Pt NPs, and in vitro cytotoxicity of the composites was evaluated against HeLa cancer cells.
Regarding fabrication, pSiNTs with short lengths (~500 nm) and thin walls (~10 nm) were synthesized via a ZnO nanowire sacrificial template method. Based on a combination of characterization techniques [High resolution transmission electron microscopy (HR-TEM) and energy dispersive X-ray analysis (TEM-EDX)], it is suggested that pSiNTs surface functionalized with 3-aminopropyltriethoxysilane can facilitate formation of Pt nanocrystals (Pt NCs) with size ranging from 1-3 nm utilizing a K2PtCl4 precursor. By varying reaction conditions (concentration of Pt salt and incubation time), the amount of Pt NCs deposited on SiNTs can be sensitively tuned from 20 to 55 wt%. In terms of cytotoxicity evaluation of the composites against HeLa cells, cellular viability was assessed using CellTiter-Glo assays, which quantified the amount of ATP in metabolically active cells. Our findings suggest that Pt NCs-SiNTs composites were toxic to HeLa cells, and less than 50% cells were still viable after 3 days of treatment with the composites at doses of 35 μg/ml and 50 μg/ml. Results from caspase 3/7 assays also showed that caspase 3/7 level in cells treated with Pt NCs-SiNTs approximately ranged from 1.5 to 2-fold increase compared to cells without treatment, thereby suggesting apoptosis as the likely mechanism. In vitro cellular uptake studies analyzed by confocal microscopy also confirmed accumulation of the composites within the cytoplasm of the cells after the treatment, consistent with a “Trojan horse” mechanism in which high concentrations of Pt NCs are internalized within cells assisted by pSiNTs and subsequently released via dissolution of the nanotube matrix.
The studies presented herein describe a novel strategy to form and immobilize highly compact clusters of Pt NCs by using pSiNTs as a template. In terms of bio-relevant applications, in vitro studies provide new insights into the anti-cancer properties of the newly discovered composites in inducing apoptosis in HeLa cells, thereby providing significant potential uses of Pt NCs-SiNTs in cancer treatment. Further investigations into gene expression profile(s) may be necessary in order to clarify the impact of the composites on cell survival in terms of molecular mechanisms.
References
1. H. Santos, Porous Silicon for Biomedical Applications, Ed. Cambridge: Woodhead Publishing, (2014).
2. X. Huang, R. Gonzalez-Rodriguez, R. Rich, Z. Gryczynski and J. L. Coffer, Chem. Commun., 49, 5760 (2013).
3. R. Gonzalez-Rodriguez, N. Arad-Vosk, N. Rozenfeld, A. Sa'ar and J. L. Coffer, Small, 12(33), (2016).
4. P. Granitzer, K. Rumpf, R. Gonzalez, J. Coffer, M. Reissner, Nanoscale Res. Lett., 9, 413 (2014).
5. T. C. Johnstone, K. Suntharalingam and S. J. Lippard, Chem. Rev., 116 (5), 3436–3486, (2016).
6. X. Li, G. Li, W. Zang, L. Wang and X. Zhang, Catal. Sci. Technol., 4, 3290-3297 (2014).
7. H. Xia, F. Li, X. Hu, W. Park, S. Wang, Y. Jang, Y. Du, S. Baik, S. Cho, T. Kang, D. Kim, D. Ling, K. M. Hui and T. Hyeon, ACS Cent. Sci., 2, 802−811 (2016).

(Presentation is private)

CHEM2019MEHMOOD38923 CHEM

An Orbital-overlap Scale for Solvent Hardness and Softness: Method and Application to Ionic Liquids

Type: Graduate
Author(s): Arshad Mehmood Chemistry & Biochemistry
Advisor(s): Benjamin G. Janesko Chemistry & Biochemistry
Location: Session: 1; 2nd Floor; Table Number: 1

presentation location

The chemical hardness of a solvent can play a decisive role in solubility and reactivity in solution. Several empirical scales of solvent softness have been proposed. We explore whether computed properties of solvent molecules can reproduce these empirical scales. Our "orbital overlap distance" quantifying the size of orbitals at a molecule's surface effectively reproduces the Marcus μ-scale of solvent softness. The orbital overlap distance predicts that the surfaces of chemically hard solvent molecules is dominated by compact orbitals possessing a small orbital overlap distance. In contrast, the surface of chemically soft solvent molecules has a larger contribution from diffuse orbitals and a larger orbital overlap distance. Other "conceptual density functional theory" descriptors, including the global hardness and electronegativity, can also reproduce empirical solvent scales. We further introduce a "solvent versatility" RMSD Dsurf scale quantifying variations in the surface orbital overlap distance. "Good" solvents such as DMSO, which combine chemically "hard" and "soft" sites within a single molecule, possess a large RMSD Dsurf. We conclude by applying this approach to predict the Marcus μ-parameters for widely-used ionic liquids and ionic liquid - cosolvent systems.

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CHEM2019MEKHAIL60535 CHEM

Functional groups effect on the electronics of macrocyclic pyridinophane

Type: Graduate
Author(s): Magy Mekhail Chemistry & Biochemistry
Advisor(s): Kayla Green Chemistry & Biochemistry
Location: Session: 2; 3rd Floor; Table Number: 8

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The use of macrocyclic pyridinophane has been growing in the fields of bioinorganic modeling, catalysis and imaging. However, the functionalization of the pyridine has not been fully explored. Therefore, the Green Research Group we produce a series of 12-membered tetra-aza N-heterocyclic amines, derived from pyclen with different functional groups substituted at the para position. Using Hammett plot analysis, X-ray diffraction, electrochemistry and C-C coupling catalytic results, we aim to understand the impact of these functional groups on the donating) of the ligand. From the Hammett plot results we predict how other functional groups will affect the electronics and reveal whether the resonance or inductive effects will mitigate the coordination environment.
The use of macrocyclic pyridinophane has been growing in the fields of bioinorganic complexes modeling, catalysis, and imaging. However, the functionalization of the pyridine has not been fully explored. Therefore, the Green Research Group produced a series of 12-membered tetra-aza macrocycles derived from pyclen with different functional groups substituted at the para position. Using Hammett plot analysis, X-ray diffraction, electrochemistry, and C-C coupling catalytic results, we aim to understand the impact of these functional groups on the donor ability of each ligand. From the Hammett plot results we hope to predict how other functional groups will affect the electronics and reveal whether the resonance or inductive effects will mitigate the coordination environment and reactivity of each complex.

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CHEM2019MONTOYA22550 CHEM

Steps Towards the Total Synthesis of Amaryllidaceae Alkaloids

Type: Graduate
Author(s): Adam Montoya Chemistry & Biochemistry
Advisor(s): David Minter Chemistry & Biochemistry
Location: Session: 1; 3rd Floor; Table Number: 6

presentation location

Phenanthridone-type alkaloids isolated from certain plants of the Amaryllidaceae family are of interest due to their pharmaceutically active nature. The compounds are commonly used in research concerning cancer, Alzheimer’s disease and other human illnesses. One of the main hindrances to such research is the limited availability of many of these compounds. The Minter group is interested in the development of procedures for synthesizing such alkaloids in a cost-effective and time efficient manner, while at the same time maintaining fair to excellent yields.
Techniques toward the synthesis of natural products of the Phenanthridone type are presented herein. Manipulations were tested and optimized on a model system in order to save both time and funds while developing a synthetic pathway to be utilized in the formation of more complex compounds. Setbacks such as controlling the stereochemistry of a tetra-substituted double bond reduction have been encountered. However, adjustments are being made to avoid such difficulties in the future. Ideally, the proposed scheme will ultimately allow for the synthesis of multiple phenanthridone analogs.

(Presentation is private)

CHEM2019NEWELL46942 CHEM

Preparation of Clickable Monomers Compatible with Automated PNA Synthesis

Type: Undergraduate
Author(s): Grace Newell Chemistry & Biochemistry
Advisor(s): Jean-Luc Montchamp Chemistry & Biochemistry
Location: Session: 2; Basement; Table Number: 1

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Peptide nucleic acids (PNA) are artificially synthesized monomers or polymers that mimic DNA or RNA sequences. Due to their stability in biological conditions and their ability to bind complementary to DNA or RNA, PNAs have potential medicinal value since they can be used to block processes like replication or protein synthesis. Though most PNAs are commercially synthesized, the goal of this project was to begin the synthesis with propargyl bromide. This would allow the final monomer to have a propargyl group which allows functional groups (like a polyamine tail, fluorescent tag, or alkylating group) to be added at the end or any time throughout the synthesis. The PNA monomer will be made with all four DNA bases (thymine, cytosine, adenine, and guanidine) attached. Another importance of this PNA monomer is its ability to undergo click reactions to create a PNA oligomer. Click chemistry is a chemical reaction that uses copper-catalyzed coupling to combine an azide with an alkyne. The ability to use click chemistry is vital since it can be done in biological conditions, has an excellent yield with few byproducts, and is relatively quick to perform. In conclusion, this project is useful since these PNA sequences can be used to modulate processes and treat a variety of diseases while having the ability to add functional groups to track the PNA oligomer.

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CHEM2019NIEBUHR27253 CHEM

Functional Modifications and Electronic Influences on Macrocyclic Tetra-aza Copper (II) Complexes

Type: Undergraduate
Author(s): Brian Niebuhr Chemistry & Biochemistry Marianne Burnett Chemistry & Biochemistry
Advisor(s): Kayla Green Chemistry & Biochemistry
Location: Session: 2; Basement; Table Number: 2

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A library of novel pyridinophane tetra-aza macrocyclic molecules derived from 1,4,7,10-tetraaza-2,6-pyridinophane (pyclen) capable of chelating biologically relevant metal ions have been synthesized. Applications of these types of molecules currently being pursued are 1) therapeutic, focusing on radical scavenging and metal chelation and 2) diagnostic, focusing on magnetic resonance imaging (MRI) contrast agents when complexed with specific metal ions. Despite wide interest in these molecules, a full study of the electronic effects imparted by substitution to the pyridyl moiety and the subsequent impact on the metal center has not yet been conducted. The objective of the present study is to characterize metal complexes of four, new tetra-aza macrocyclic metal chelating molecules. The pyridyl functional groups studied include: A) unmodified pyridyl (L1), B) 14-hydroxyl (L2), C) 14-nitrile (L3), and D) 14--nitro (L4) modified pyclen structures. Procedures for metal ion chelation with copper (II) ion, followed by characterization and analysis of the electronic environments of each are presented.

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CHEM2019PHAM64839 CHEM

Optimization of Tin(IV) Oxide Particles For Improved Performance of Dye-Sensitized Solar Cell

Type: Undergraduate
Author(s): Bach Pham Chemistry & Biochemistry
Advisor(s): Benjamin Sherman Chemistry & Biochemistry
Location: Session: 1; 3rd Floor; Table Number: 10

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The dye-sensitized solar cells (DSSCs) are a possible alternative tool to harvest solar energy instead of the traditional silicon-based solar cells. DSSCs offer various advantages, such as good energy conversion efficiencies in low-light condition, simple fabrication, low cost, and the ability to modify key properties of the solar cell such as the absorbance wavelengths. We are interested in developing new types of semiconductor supports for use in DSSCs based on tin(IV) oxide nanoparticles (NPs). Tin(IV) oxide offers a wide band gap and higher electron mobility as compared with the more widely used titanium dioxide. In this study, two morphologies of tin(IV) oxide, spherical and flower-like NPs, are synthesized. These two types of tin(IV) oxide NPs and mixtures of both at various ratios are used to fabricate DSSCs. We find that nanoflowers usually give the cells higher open circuit voltages but with lower photocurrent. Nanospheres give much higher photocurrent but with lower open circuit voltage. A mixture that has a 1:2 molar ratio of nanoflowers and nanospheres gave the best performance in terms of photocurrent and voltage. Furthermore, we are investigating the effect of a deposited layer of titanium(IV) oxide on top of the tin(IV) oxide to further enhance the photoperformace of the solar cells.

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CHEM2019SCHMITT50258 CHEM

The Synthesis of Amaryllidaceae Alkaloid Analogs

Type: Undergraduate
Author(s): Nate Schmitt Chemistry & Biochemistry Adam Montoya Chemistry & Biochemistry
Advisor(s): David Minter Chemistry & Biochemistry
Location: Session: 2; 1st Floor; Table Number: 4

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Amaryllidaceae isoquinoline alkaloids as well as their analogs have long been of interest as lead compounds in drug discovery due to their range of biological activity. Many of these alkaloids are cytotoxic anti-tumor agents. Moreover, there have also been studies showing the effectiveness of these molecules against yellow fever and other diseases caused by RNA- containing flaviviruses. The study of these compounds as pharmaceutical agents is hampered by their low natural abundance, which necessitates the development of laboratory syntheses of these alkaloids and their analogs.
This project focuses on the total syntheses of the Pancratistatin-type natural products that contain the phenanthridone ring system. In stage one, model systems are being investigated to develop the methodology required to introduce requisite functionality found in natural systems. Previous research from this laboratory gives the basic phenanthridone skeleton with several different functional groups, but there are no reported methods for converting these functions into polyhydroxycyclohexenes with stereochemical control. Two of the problems under investigation involve the ring expansion of a spiro ring containing an epoxide and the production of a specific trihydroxycyclohexene with control of stereochemistry. In stage two, a specific phenanthridone alkaloid will be targeted for total synthesis that uses the new methodology developed in stage one.

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CHEM2019SCHWARTZ27386 CHEM

Synthesis and Characterization of N,N,N,-Copper Pincer Complexes

Type: Undergraduate
Author(s): Timothy Schwartz Chemistry & Biochemistry Marianne Burnett Chemistry & Biochemistry Akop Yepremyam Chemistry & Biochemistry
Advisor(s): Kayla Green Chemistry & Biochemistry
Location: Session: 2; 1st Floor; Table Number: 2

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Organometallic catalysts are useful in many organic reactions by exploiting the Lewis acidity of the metal complex. Most catalysts available rely on precious metals like platinum and rhenium. These catalysts pose a financial and environmental barrier to many scientists. Thus, there is a need for catalysts that use less expensive and toxic metals, such as copper. A library of copper catalysts with different electronic functionalities have been synthesized and characterized by cyclic voltammetry, UV-VIS, NMR, and X-ray crystallography. It was found that the complexes with electron donating groups better stabilize the copper center, when compared to the complexes with electron withdrawing groups. However, the planar characteristics of each ligand makes them unsuitable candidates for copper catalysis because they cannot bind to the tetrahedral geometry of reduced copper. This work warrants the complexation of these ligands with other metals, like nickel or cobalt, to determine their viability as applicable organometallic catalysts.

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CHEM2019SHARMA21186 CHEM

Exploring Cyanuric Chloride Chemistry to Synthesize Macrocycles of Different Sizes

Type: Graduate
Author(s): Vishal Sharma Chemistry & Biochemistry
Advisor(s): Eric Simanek Chemistry & Biochemistry
Location: Session: 1; 3rd Floor; Table Number: 4

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In chemistry, cyclic compounds of twelve or more atoms are considered macrocycles. Many bioactive, natural products containing macrocycles have been isolated and synthesized. Still, construction of macrocycles is usually considered a challenging step in their synthesis. Here, a route to different-sized macrocycles is described. These macrocycles arise from spontaneous cyclization of two identical subunits comprising a central triazine displaying both a masked aldehyde and hydrazine group. The aldehyde portion is presented on a linker that can comprise varying number of carbons. By varying this linker, macrocycles of 22, 24, and 26 atoms have been prepared. Future study focuses on probing macrocycle size with increasingly larger linkers.

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CHEM2019TA53316 CHEM

DESIGNER SOLVENTS AND MATERIALS

Type: Undergraduate
Author(s): Daniel Ta Chemistry & Biochemistry Onofrio Annunziata Chemistry & Biochemistry Christian Chen Chemistry & Biochemistry
Advisor(s): Sergei Dzyuba Chemistry & Biochemistry
Location: Session: 2; 2nd Floor; Table Number: 8

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Room-temperature ionic liquids and deep-eutectic solvents have become unique and almost indispensible materials for various areas of sciences, medicine and engineering. The ability to engineer media with desired properties favorably distinguishes these solvents from traditionally used molecular solvents.

This poster will describe our ongoing efforts on designing various types of ionic, eutectic systems as well as approaches towards modulating their phase transitions. Studies related to controlling the self-assembly process of various solutes in this type of media will also be presented.

(Presentation is private)

CHEM2019WEGENER47813 CHEM

Can Whiskey have Terroir? Assessing sugar differences after mashing heirloom cereals for Bourbon production

Type: Undergraduate
Author(s): Kathleen Wegener Chemistry & Biochemistry
Advisor(s): Eric Simanek Chemistry & Biochemistry Rob Arnold Biology
Location: Session: 1; 1st Floor; Table Number: 7

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This project will entail assessing several varieties of common and heirloom corn from throughout Texas to identify sugar (and thus alcohol) content.
After obtaining cereal samples from a local distillery, the cereals will be processed by mashing and fermenting.
The resulting mashes will be measured for pH and S.G., then analyzed through chromatography using HPLC-RID. These samples of corn will be assessed for variations in sugar yield, both and composition and quantification. After fermentation, the HPLC-RID will be used for chromatographic analysis of ethanol concentration. Ultimately, this will provide information on the most promising corn varieties, and expose their potential as a future staples of this partner distillery.

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CHEM2019WINTERS65295 CHEM

The Cost of Academic Methodologies

Type: Graduate
Author(s): Karen Winters Chemistry & Biochemistry Olivier Berger Chemistry & Biochemistry Sergei Dzyuba Chemistry & Biochemistry Axel Sabourin Chemistry & Biochemistry
Advisor(s): Jean-Luc Montchamp Chemistry & Biochemistry
Location: Session: 2; 1st Floor; Table Number: 6

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The cost of reagents and catalysts employed in synthetic methodologies developed in academia is very rarely discussed. Yet these costs are very real as they represent a significant portion of any grant proposal budget. The Cost of Academic Methodologies (CAM) is a novel concept, which should be considered when evaluating synthetic methodologies. CAM will allow for one to quantitatively evaluate with a numerical value a particular synthetic methodology that prepares a particular product. CAM will allow for a comparison among distinctly different reactions conditions, reagents, catalytic versus stoichiometric systems, etc. Cost considerations are almost always avoided in academic publications; however CAM is a parameter that can be useful to gauge seemingly non-comparable methodologies. Unlike specious or poorly-defined considerations often seen in manuscripts, such as “harshness” of conditions, “metal-free”, “precious metals are expensive”, etc., the CAM parameter is a real, tangible, aspect of academic methodologies, which is applicable to any chemical reaction.

(Presentation is private)

COSC2019BEEBE45127 COSC

DSound

Type: Undergraduate
Author(s): Emma Beebe Engineering Shane Mitchell Computer Science Wynn Pho Computer Science
Advisor(s): Liran Ma Computer Science
Location: Session: 1; 2nd Floor; Table Number: 7

presentation location

Hearing aids are costly, inconvenient, unappealing, and unfortunately are currently one of the only devices on the market for the hearing impaired. This explains why less than 30% of American adults with hearing impairment actually use hearing aids and in underdeveloped countries it is as low as 10%. With the abundance and accessibility of smartphones, an app that could substitute as a hearing aid could help people all over the world.

Due to technological advancement, smartphones have become powerful digital processing machines and are improved and refined constantly. It is the capability of processing sounds and playing the altered signal to the user that allows a smartphone to be used as a hearing aid. The teams before me have made an iOS app that can listen to the surrounding area and amplify sound in certain frequencies according to the user’s prescription.

This year our top priority is to pass Apple's latest requirements to put the iOS app on the App Store and add functionalities that allow it interact with the Apple Watch 4. We will then add more capabilities like developing a method to shift certain sounds from frequencies the patient cannot hear, as well to frequencies they can hear. Another new functionality would be for the app to have situational awareness so it plays the correct sound depending on the outside environment. In order to best achieve these goals, we will need some new technologies to meet Apple’s requirements and improve the performance of the app.

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COSC2019LAZALDE32769 COSC

Superfrog Scheduler

Type: Undergraduate
Author(s): Jose Lazalde Computer Science Sarah Allen Computer Science John Payton Computer Science Duncan Scott Martinson Computer Science Anh Vu Computer Science
Advisor(s): Bingyang Wei Computer Science
Location: Session: 1; Basement; Table Number: 13

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A website that for scheduling and managing Superfrog appearances. Customers can go to our website and request Superfrog for their event. The website automates the request process and makes it easier for employees to sign up for events. The automated process makes it easier for the admin to validate a request and accept or reject the request accordingly. The goal is to improve and enhance the experience for the customer, Superfrog employees, and the TCU spirit program.

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COSC2019MERRITT25840 COSC

Eureka Labs

Type: Undergraduate
Author(s): Hunter Merritt Computer Science Geordie Jones Computer Science Dylan Perez Computer Science Antonio Rodriguez Esquire Computer Science Sabyasachi Sahoo Computer Science
Advisor(s): Liran Ma Computer Science Bingyan Wei Computer Science
Location: Session: 1; 2nd Floor; Table Number: 9

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Our problem is with the current state of online computer network and security educational materials. We are greatly influenced by the success of Seed Labs at Syracuse which does an excellent job of providing instructional materials. We have expanded on their site by creating more of an educational portal as opposed to a central site for instructional materials. Our online educational program allows both students and educational professionals to source instructional materials as well as receive support directly from the labs authors.

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COSC2019NGUYEN27593 COSC

AI 2 Go

Type: Undergraduate
Author(s): Kien Nguyen Computer Science Khiem Nguyen Computer Science Megan Phan Computer Science Quang Truong Computer Science Kimon Vogt Engineering
Advisor(s): Liran Ma Computer Science Ze-Li Dou Mathematics
Location: Session: 2; 3rd Floor; Table Number: 5

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In March 2016, AlphaGo, an AI program by Google DeepMind, defeated the Go world champion Lee Sedol 4-1 in a five-game match, shocking the world. After March 2017 when AlphaGo again defeated the world champion, AlphaGo was improved to a newer version called AlphaZero, a stronger AI program that self-trained, with no prior knowledge, after being told only the rules of the game. From then, the strength of AI kept climbing at an astonishing rate.
Gian-Carlo Pascutto, a computer programmer who works at the Mozilla Corporation, had a track record of building competitive game engines, first in chess, then in Go. After following the latest research, he combined the Monte Carlo Tree Search and a neural network into building the world’s most successful open-source Go engines – first Leela, then LeelaZero – which mirrored the advances made by DeepMind.
Based on the open-source engines, we plan to take an alternative path of utilizing LeelaZero: finding the optimal results/playouts on different board sizes from 3x3 up to 9x9. Because of symmetry, there is a difference between an even and odd n x n board size. Therefore, we treat them separately on the following outline of the project:
- Modify the code of LeelaZero to allow all odd dimensions and obtain the results of optimal play for odd n up to 9.
- Modify the code of LeelaZero to allow all even dimensions and obtain the results of optimal plays for even n up to 8.

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COSC2019PARRIS54725 COSC

TCU and UNTHCS Longitudinal Integrated Clerkship Scheduler

Type: Undergraduate
Author(s): Alexander Parris Computer Science Zach Alaniz Computer Science Huy Bui Computer Science Justin Herold Computer Science Katie Ortstadt Computer Science
Advisor(s): Bingyang Wei Computer Science
Location: Session: 2; 3rd Floor; Table Number: 5

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The new TCU and UNTHSC School of Medicine is taking a progressive approach to curriculum for their students. The standard for medical clerkships, is for a medical student to focus on a practice, then move on to the next practice. This leaves a gap of time between learning and implementing a medical practice in the real world. The Longitudinal Integrated Clerkship (LIC) will engage students in a variety of medical practices in 2 week cycles, so students will constantly be maintaining their grasp on import skills and practices. It is our job to provide the scheduling application that will best match each student and doctor, at the best times.

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COSC2019SOUTHWORTH35431 COSC

Sheepdog Defense Group

Type: Undergraduate
Author(s): Hayden Southworth Computer Science Tek Ghimire Computer Science John Hodnett Computer Science Phong Nguyen Computer Science Muoi Pham Computer Science
Advisor(s): Bingyang Wei Computer Science
Location: Session: 1; 3rd Floor; Table Number: 5

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Sheepdog Defense Group is a local Fort Worth self-defense company that is fully licensed by the State of Texas Private Securities Bureau to provide self-defense and weapons training to help other protect their communities. Their main goal is to provide training to church groups and private schools to help them from becoming targets for acts of violence. Sheepdog Defense Group also offers this self-defense and weapons training to the public so that they can protects them selves and their families. Sheepdog Defense Group is looking for a new website that will allow customers to sign-up for classes using an interactive calendar and access an online store to purchase Sheepdog merchandise. The site will allow the Sheepdog Guards to access all of the important information needed to protect their community as well as access their own information. The site will also allow the owner to manage a wide range of services regarding the business which he is currently doing all by hand.

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ENGR2019AGUEROADAME49081 ENGR

Engineering Capstone Project - Computer Vision

Type: Undergraduate
Author(s): Melina Aguero Adame Engineering Susana Murillo Engineering
Advisor(s): Stephen Weis Engineering
Location: Session: 1; Basement; Table Number: 6

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As part of one of the engineering capstone projects, a calibration testing system was improved with the aid of computer vision. Computer vision was integrated into this project as a solution to a rotating pedestal calibration test that was previously performed by the naked eye. The main goal of this system was to detect and track a red 635 nm wavelength laser spot with offsets as small as 0.025 inches on a 10 x 10 inch grid accurately and precisely. Designing this system involved three major criteria: camera selection, data processing hardware, and algorithm performance.
The first criteria studied in the design process was the camera. The system required a camera that was compact in size, covered the entirety of the grid at less than 11 inches, and captured high quality images. Furthermore, two main data processing hardwares were explored: Raspberry Pi and a standard test laptop. The processing hardware criteria considered were speed, portability, and maintenance. Finally, RGB and houghcircles were the two algorithms used to detect the red laser dot. Testing was conducted to compare the algorithms based on their ability to detect the laser spot, precision in tracking, and repeatability. These design considerations guided the down selects for the final components used in this system.

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