Chemistry Commons^™

Kinetic Analysis Of Glu115ala Cytosolic Human Malate Dehydrogenase Mutation Shows A Change In Activity On Non-Native Substrate Phenylpyruvate, Kailey Paar

Chemistry & Biochemistry Student Scholarship

The cytosolic human enzyme, malate dehydrogenase (MDH1), is believed to have a significant effect on the proliferation of cancerous cells. This enzyme oxidizes NADH to NAD+ as it converts oxaloacetate (OAA) to malate. This oxidation of NADH provides the needed NAD+ to cancer cells, which require NAD+ as they upregulate glycolysis in aerobic conditions. Targeting MDH1 can reveal new therapeutic treatments for cancer by preventing the conversion of OAA to malate and depleting NAD+ stores in cancer cells, which can be done by mutating residues in the enzyme and assessing the change in activity. Here we show the replacement of …

Magnetic Slime, Admin Stem For Success

STEM for Success Showcase

Students learn chemistry and physics by making magnetic slime.

Invisible Ink, Admin Stem For Success

STEM for Success Showcase

Students create invisible ink to hide and reveal a message using chemistry.

Sugar Water Density Activity, Admin Stem For Success

STEM for Success Showcase

In this activity students learn about density using sugar water. Attached is the activity's lesson plan and a teacher reflection on the activity.

Multi-Technique Structural Analysis Of Zinc Carboxylates (Soaps), Molly Wagner, Roberta Pigliapochi, Valeria Di Tullio, Jaclyn Catalano, Nicholas Zumbulyadis, Silvia A. Centeno, Xiaoling Wang, Kuizhi Chen, Ivan Hung, Zhehong Gan, Michael R. Dworzak, Glenn P.A. Yap, Cecil Dybowski

Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works

A series of medium- and long-chain zinc carboxylates (zinc octanoate, zinc nonanoate, zinc decanoate, zinc undecanoate, zinc dodecanoate, zinc pivalate, zinc stearate, zinc palmitate, zinc oleate, and zinc azelate) was analyzed by ultra-high-field ⁶⁷Zn NMR spectroscopy up to 35.2 T, as well as ¹³C NMR and FTIR spectroscopy. We also report the single-crystal X-ray diffraction structures of zinc nonanoate, zinc decanoate, and zinc oleate—the first long-chain carboxylate single-crystals to be reported for zinc. The NMR and X-ray diffraction data suggest that the carboxylates exist in three distinct geometric groups, based on structural and spectroscopic parameters. The ssNMR results …

Conformational Comparison Of Urea And Thiourea Near The Ccsd(T) Complete Basis Set Limit, Kayleigh R. Barlow, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

The global minima of urea and thiourea were characterized along with other low-lying stationary points. Each structure was optimized with the CCSD(T) method, and triple-ζ correlation consistent basis sets followed by harmonic vibrational frequency computations. Relative energies evaluated near the complete basis set limit with both canonical and explicitly correlated CCSD(T) techniques reveal several subtle but important details about both systems. These computations resolve a discrepancy by demonstrating that the electronic energy of the C2v second-order saddle point of urea lies at least 1.5 kcal mol−1 above the C2 global minimum regardless of whether the structures were optimized with MP2, …

Azomethine-Containing Moieties For Simple And Degradable Conjugated Polymers, Kimberley Bartlett

Master of Science in Chemical Sciences Theses

Conjugated polymers have been studied for various applications such as electrochromics, organic photovoltaics, organic light-emitting diodes, thin film transistors, biosensors, and energy storage materials. They have received significant attention from many researchers because they are relatively inexpensive and possess a high degree of synthetic tailorability that enables tuning of optical, electrochemical, and physical properties. However, many state-of-the-art polymers require synthetic protocols that use multiple arduous synthetic steps, harmful chemical reagents, and produce toxic byproducts. Additionally, the synthesized polymers are not typically designed to be degradable and will accumulate during waste disposal without end-of-life management strategies. Therefore, there is a need …

Selective Preservation Of Structural Carbohydrates During Peat Formation, Lauren Bryan, Rachel Shaw, Madison Smith, Erik Schoonover, Trevor Hile, Christian Lundy, Alexis Koehl, Grace Behrens, Madeleine O'Donnell, Mackenzie Dole

22nd Annual Celebration of Undergraduate Research and Creative Activity (2023)

The structural carbohydrate "sphagnan" has been hypothesized to play a role in slowing the degradation of Sphagnum moss, and therefore contribute to carbon sequestration in peatlands. Sphagnan is composed of a galacturonic acid and rhamnose backbone. However, it is currently unclear whether sphagnan persists beyond early-litter degradation and plays a role in the long-term preservation of organic matter in peatlands. In this study, we analyzed hydrolyzable neutral sugars, using rhamnose as a proxy for sphagnan content, and tracked the concentration of rhamnose present within moss before and after a 270-day period of decomposition, as well as the concentration of rhamnose …

Physical And Chemical Changes Lesson Plan, Admin Stem For Success

STEM for Success Showcase

Lesson plan and video for an activity on the difference between physical and chemical changes.

The Science Of Baking Bread, Admin Stem For Success

STEM for Success Showcase

Activity plan to teach biology and chemistry using a lesson on the baking of bread.

Plastic Photochemistry: Determining How Weathering Impacts Phototransformation Rates, Anna Fabiszak

Student Research Symposium

It is a scientific certainty that plastics do exist and will continue to exist in the environment for many years, but exactly how long? Photochemistry can be a major degradation pathway of plastics. Many studies have been performed using microbial activity, heat, and light. However, the question of which wavelengths have the greatest effect on the plastic phototranformation remains. This question was answered by irradiating weathered and pristine plastics under monochromatic LEDs lights from wavelengths 275-445 nm, and measuring the amount of Dissolved Organic Carbon (DOC).

Silicon In Renewable Power Generation And Storage: Decarbonizing The Grid And Automobile Transport, Kurt W. Kolasinski

Sustainability Research & Practice Seminar Presentations

Professor Kurt Kolasinski, Chemistry - Silicon in renewable power generation and storage: Decarbonizing the grid and automobile transport.

Epitaxial Single-Domain Cu-Btc Metal-Organic Framework Thin Films And Foils By Electrochemical Conversion Of Cuprous Oxide, Xiaoting Zhang, Bin Luo, Avishek Banik, John Z. Tubbesing, Jay A. Switzer

Chemistry Faculty Research & Creative Works

Metal-Organic Frameworks (MOFs) Are an Important Class of Crystalline Porous Materials with Extensive Chemical and Structural Merits. However, the Fabrication of MOF Thin Films Oriented Along All Crystallographic Axes to Achieve Well-Aligned Nanopores and Nanochannels with Uniform Apertures Remains a Challenge. Here, We Achieved Highly Crystalline Single-Domain MOF Thin Films with the [111] Out-Of-Plane Orientation by Electrochemical Conversion of Cuprous Oxide. Copper(II)-Benzene-1,3,5-Tricarboxylate, Cu₃(BTC)₂ (Referred to as Cu-BTC), is a Well-Known Metal-Organic Open Framework Material with a Cubic Crystal System. Epitaxial Cu-BTC(111) Thin Films Were Manufactured by Electrochemical Oxidation of Cu₂O(111) Films Electrodeposited on Single-Crystal Au(111). …

Beer We Go! A Study Of Carbonated And Nitrogenated Beers, Sadie Atkins, Holly S. Gibson

Undergraduate Research Conference

A flavorful crisp beer is a popular, worldwide beverage. Beer can be either carbonated or nitrogenated, each giving a different sensory outcome. Carbonated beer, such as Budweiser, has a crispy and light texture, whereas nitrogenated beer, such as Guinness, has a creamy, smooth mouthfeel. A comparison study of these two different beer types was done using a Packaged Beverage Analyzer (PBA). The PBA is used to analyze the density, CO CO2, O 2, N 2, and alcohol content of various beverages, such as beer, sparkling water, and soda. The parameters assigned to the carbonated beer were container type and temperature …

Detection Of Carbamazepine, Diclofenac, And Ketoprofen Via A Spe-Hplc-Pda Method In A Municipal Wastewater Treatment Plant In East Texas, Usa, Gary Lopez, Anthony Broom

Undergraduate Research Conference

Pharmaceutical compounds are introduced into the environment and may pose adverse environmental and human health effects. The sources of pharmaceuticals include sewage, animal waste, and/or improper disposal from homes and hospitals. In this study, the spectroscopic, and chromatographic properties of carbamazepine (CBZ), diclofenac (DF), and ketoprofen (KT) were analyzed by using UV-Vis, fluorescence and HPLC. Via UV-VIS spectroscopy, CBZ, DF, and KT exhibited absorption peaks at 285 nm, 284 nm and 255.6 nm, respectively. The determined fluorescence quantum yield (Ff) for CBZ, DF, and KT were Ff = 0.226, 0.287, and 0.327, respectively. Retention times was observed at 3.84 (CBZ), …

Computer Modelling Of The Interaction Between Cerme-8 J Domain And Cehsp70-1, Grace Thornhill, Cole Easley

Undergraduate Research Conference

Abstract: Rme-81 is a J domain-containing plasma membrane protein that is required for endocytosis in various cells2. The J domain is a characteristic structural motif found mainly in heat shock protein 40 (Hsp40 or DnaJ) and other proteins such as Rme-83. Within the J domain is a tripeptide, the HPD motif, that is required by the J-domain protein to interact with and stimulate the ATPase activity of Hsp70, a major cellular chaperone4. The Rme-8 protein in C. elegans, CeRme-8, has not been identified with a particular Hsp70 partner. CeHsp70-1 is the only cytosolic Hsp70 in C. elegans, therefore, we hypothesize …

Functional Fluorescent Silver Nanoclusters On Single Stranded Dna Scaffolds, Ravyn Solis, Angel Torres, Brock Gascon

Undergraduate Research Conference

The aim of the present study is to determine the effectiveness of silver nanocluster (Ag NC) against biofilm of Bacillus Thuringiensis ( and Pseudomonas Aeruginosa ( A 60 base long DNA aptamer specific for BT tied to the 5 end of a 16 base cytosine rich DNA oligonucleotide is chosen as the template for growing the Ag NC Two DNA aptamers specific for PA and part of their sequences were chosen as templates for growing the Ag NC Circular dichroism ( studies determined the presence of secondary structures In addition, UV/Vis absorption and fluorescence spectroscopic studies confirmed the formation of …

Determination Of The Cation Exchange Capacity In Smectite Clays, Allison Swaim

Undergraduate Research Conference

No abstract provided.

Corrosion Case Study On Automobile, Grace Ajayi, Xinran Pan, Geethu Sasikala, Marshall S. Yang

Chemistry Publications

No abstract provided.

Carborane-Containing Hydroxamate Mmp Ligands For The Treatment Of Tumors Using Boron Neutron Capture Therapy (Bnct): Efficacy Without Tumor Cell Entry, Sebastian Flieger, Mao Takagaki, Natsuko Kondo, Marlon Lutz Jr., Yash Gupta, Hiroki Ueda, Yoshinori Sakurai, Graham Moran, Prakasha Kempaiah, Narayan Hosmane, Minoru Suzuki, Daniel P. Becker Ph.D.

Chemistry: Faculty Publications and Other Works

New carborane-bearing hydroxamate matrix metalloproteinase (MMP) ligands have been synthesized for boron neutron capture therapy (BNCT) with nanomolar potency against MMP-2, -9 and -13. New analogs are based on MMP inhibitor CGS-23023A, and two previously reported MMP ligands 1 (B1) and 2 (B2) were studied in vitro for BNCT activity. The boronated MMP ligands 1 and 2 showed high in vitro tumoricidal effects in an in vitro BNCT assay, exhibiting IC₅₀ values for 1 and 2 of 2.04 × 10⁻² mg/mL and 2.67 × 10⁻² mg/mL, respectively. The relative killing effect of 1 to L-boronophenylalanine (BPA) is …

Quantification Of Anion And Cation Uptake In Ice Ih Crystals, Tiara Sivells, Pranav Viswanathan, Jenée D. Cyran

Chemistry and Biochemistry Faculty Publications and Presentations

While ice has very low solubility for salts compared to water, small amounts of ions are doped into ice crystals. These small ion dopants can alter the fundamental physical and chemical properties of ice, such as its structure and electrical conductivity. Therefore, these results could have a direct impact on the chemical reactivity of ice and ice surfaces. Here, we examine the influence of the uptake of three salts—ammonium chloride (NH₄Cl), sodium chloride (NaCl), and ammonium sulfate [(NH₄)₂SO₄]—on ice Ih formation using capillary electrophoresis. Using both cation and anion modes, we observed …

Swelling Studies Of Poly(Ionic Liquids) In Different Solvents And Salt Solutions, Pierson Perdue, Ali Alshaikh, Creighton Baltier, Jason E. Bara, Sourav Chatterjee

Scholars Week

Poly(ionic liquid)s (PILs) represented a special class of polymers, which comprised of a polymeric backbone and ionic liquids (ILs) species in each monomeric repeating units. PILs has properties that combined the properties of ionic liquids (ILs) (i.e., high conductivity, better thermal and chemical stability, and tailor-made functionality) with the intrinsic properties of polymer (i.e., mechanical stability). This synergistic property makes PILs a good candidate for various applications such as stable-ion conductors, membranes for gas separations and sorbents. In the past, it was shown that PILs are capable of swelling when dissolved in different ILs but there are few literature reported …

Synthesis And Evaluation Of Biologically Active Phosphorous Heterocycles And Lipid A Antagonist Compounds, Saroj Kafle

Dissertations

Cyclophostin and cyclipostins are naturally occurring organophosphates with common structural core units and different phosphate ester substituents. Cyclophostin is a cyclic phosphate triester with a chiral center at phosphorous and C-3a carbon atom while the cyclipostins have characteristic alkyl substituents with varying chain lengths at the phosphate center. Long-chain substituted monocyclic phosphate (2b) and phosphonate (2a) analogs of cyclophostin and cyclipostin are promising inhibitors against serine hydrolases acetylcholinesterase with an IC₅₀ in the nanomolar range.

Biologically active β-lactones and lactams owe their activity, in part, to ring strain. The ring opening of β-lactones and lactams …

Nanosecond Infrared Laser Ablation Dynamics, Achala Priyadarshani Deenamulla Kankanamalage

LSU Doctoral Dissertations

Laser ablation dynamics encompasses studies of fundamental physical processes of mid infrared laser ablation. Understanding the mechanisms of IR laser desorption and ionization can lead to improvements in laser ablation-based techniques and expansion of their applications. Control of material removal ensures both accuracy and precision of the laser ablation-based techniques. The laser ablation mechanism in the studied wavelength region, is a process of water vaporization and photothermal disruption of tissue. Glycerol was used as the ablation target to establish the methods. Experiments were first aimed at developing methods to monitor material removal during ablation using a 2.94 µm wavelength mid-IR …

Additivity Of Diene Substituent Gibbs Free Energy Contributions For Diels–Alder Reactions Between Me2c=Cme2 And Substituted Cyclopentadienes, Thomas M. Gilbert, Austin S. Flemming, Brendan C. Dutmer

Faculty Articles, Papers, and Other Scholarship

Systematic computational studies of pericyclic Diels–Alder reactions between (H3C)2C═C(CH3)2, 1, and all permutations of substituted cyclopentadienes c-C5R1R2R3R4R5aR5b (R = H, CH3, CF3, F) allowed isolation of substitutional effects on Gibbs free energy barrier heights and reaction Gibbs free energies. “Average Substitution Gibbs Free Energy Correction” ΔGASC#‡/ΔGASC# values for each substituent in each position appeared to be additive. Substituent effects on barriers showed interesting contrasts. Methyl substitution at positions 5a and 5b increased barriers significantly, while substitution at all other positions had essentially no impact. In contrast, fluoro substitution at positions 5a and 5b lowered barriers more than substitution at other …

Synthesis And Characterization Of Humic/Melanin-Like Compounds By Oxidative Polymerization Of Simple Aromatic Precursors, Nastaran Khademimoshgenani, Sarah A. Green

Michigan Tech Publications, Part 1

Dissolved organic matter (DOM) is a complex mixture of naturally occurring organic molecules originating from multiple marine and terrestrial sources. DOM plays a significant role in water quality by affecting the photochemistry, trace metal transport, and acidity in aquatic systems. Understanding the chemical composition of DOM helps interpret the links between its optical properties and molecular structures. Currently, the molecular origins of the optical properties of DOM are not well-defined. In this study, we oxidize and initiate the polymerization of melanin precursors 1,8-dihydroxy naphthalene and 5,6-dihydroxy indole by the addition of hydrogen peroxide and/or with ultraviolet irradiation. Our goal is …

Synthesis And Characterization Of Semi-Interpenetrating And Double Networks Of Sulfonimide- And Imidazolium-Containing Poly(Ionic Liquids), Jeremiah Coughlon, Seth Taylor, Jason Bara, Kevin Miller, Sourav Chatterjee

Scholars Week

In recent years, there has been increased research interest in creating electrically conductive polymer membranes with materials that are widely available and environmentally safe. Herein, we report how polymeric membranes comprised of unique combinations of ionenes and poly(ionic liquids), including a recently developed sulfonimide- and imidazolium-containing methacryloxy-based monomer, were produced via UV photopolymerization. These membranes were specifically tailored to exhibit both ionic conductivity and an affinity for carbon dioxide, which are both crucial characteristics in such applications as electron transport in lithium-ion batteries and gas sorbency in separation techniques. Monomers, such as the aforementioned methacryloxy-based ionic liquid (IL) and C4VIm, …

Synthesis And Properties Of Bio-Based 3d Printable Resins, Cameron Woods, Seth Taylor, Jeremiah Coughlon, Turner Perdue, Sourav Chatterjee, Jason E. Bara

Scholars Week

A photopolymer resin is a monomer that, when introduced to light of a certain wavelength, starts to polymerize into a solid. This has become a growing part of the 3D printing industry. There have been many advancements in the field of 3D printing, however, a lot of these resins are not environmentally friendly and even harmful if not handled in the correct manner. Plant based resins are becoming more and more popular because of their biodegradability and for the possibility of using renewable resources. Glycerol is a plant-based compound that is produced in excess in industry. Glycerol obtained from bioethanol …

Physiochemical Properties Of Urethane-Containing Ionic Liquids And Ionenes From A Non-Isocyanate Synthetic Approach, George Timmermann

Scholars Week

Ionic polymers that are designed to contain ionic liquids (ILs) in their backbones have been shown to exhibit a high degree of variability through changing the type of ionic character and the location of the ionic region within the molecule. This large amount of variability in both the structure and characteristics of ILs allows researchers to design task-specific ionic polymers and ILs for a variety of applications including gas separation membranes and solid polymer electrolytes. The synthesis of a specific class of ILs and ionenes through the incorporation of urethane groups with imidazolium rings by reacting carbonyl diimidazole with various …

Coarse-Grained Molecular Simulations And Ensemble-Based Mutational Profiling Of Protein Stability In The Different Functional Forms Of The Sars-Cov-2 Spike Trimers: Balancing Stability And Adaptability In Ba.1, Ba.2 And Ba.2.75 Variants, Gennady M. Verkhivker, Mohammed Alshahrani, Grace Gupta

Mathematics, Physics, and Computer Science Faculty Articles and Research

Evolutionary and functional studies have suggested that the emergence of Omicron variants can be determined by multiple fitness tradeoffs including immune escape, binding affinity, conformational plasticity, protein stability, and allosteric modulation. In this study, we embarked on a systematic comparative analysis of the conformational dynamics, electrostatics, protein stability, and allostery in the different functional states of spike trimers for BA.1, BA.2, and BA.2.75 variants. Using efficient and accurate coarse-grained simulations and atomistic reconstruction of the ensembles, we examined the conformational dynamics of the spike trimers that agree with the recent functional studies, suggesting that BA.2.75 trimers are the most stable …