Physical Sciences and Mathematics Commons^™

Development Of Carbohydrate-Based Antibiotics And Metabolic Chemical Reporters, Courtney Kondor

Wayne State University Dissertations

CHAPTER 1: Multidrug-resistant bacteria is a threat to public health and there is a need for the development of new antibiotics to fight bacterial resistance. Aminoglycoside antibiotics are attractive to researchers due to their lack of known drug related allergies, low cost, and broad spectrum of activity; however, they can cause nephrotoxicity and ototoxicity in patients. We modified the 2-deoxystreptamine ring of paromomycin to make the drug more flexible and potentially more selective for the bacterial ribosomal A-site to circumvent off-target effects that cause ototoxicity. However, we found that our compound, paromomexin, was significantly less active than paromomycin in all …

Lipophilic Probes For Cellular Ethylene Detection, Morgan R. Brown

Electronic Theses and Dissertations

The structure of ethylene is simple, yet its biological effects are significant. When considering its role in biology it is almost exclusively regarded as a plant hormone. Research on ethylene from plants was progressed by several advancements in analytical instrumentation, from its discovery to elucidation of its signaling pathway. There is currently limited understanding of ethylene’s role in mammals, but evidence suggests that it may be a biomarker for oxidative stress! Additional tools and technology are crucial to study this surprising and important signaling role in mammals. Our group has developed molecular ethylene probes as a strategy to detect ethylene …

Synthetic, Mechanistic, And Structural Insights Into Defect Mediated Broadband Photoluminescence In Low Dimensional Hybrid Perovskites, Adedayo M. Sanni

Wayne State University Dissertations

The research projects in this dissertation focused on understanding the light emission and structure of hybrid organic inorganic hybrid perovskites. There remains a need to develop novel synthetic approaches to synthesize self-assembled hybrid organic-inorganic nanostructures to enable solution processed lighting technologies. Bulk of the approachescurrently employed in making light emitting diodes (LEDs) for lighting applications involves complex fabrication techniques. Hence, we investigated the light emission properties of 2D hybrid organic inorganic lighting materials as potential materials for lighting applications. In Chapter 2, we employed a solvothermal approach to synthesize so called self-assembled quantum wells (SAQWs) that emit narrow light centered …

Lanthanide Coordination Chemistry In Rare-Earth Element Extraction And Photocatalysis, Jessica Hovey

Wayne State University Dissertations

This thesis outlines projects pertaining to the extraction, enrichment, and use of rare-earth elements in the trivalent and divalent states through the modification of coordination chemistry. Modulating the coordination environment can impact the selectivity of rare-earth elements in solid-liquid enrichment through the adjustment of donor atoms, denticity and pKa values as detailed in Chapter 1. Changes in coordination environment, such as to the identity of donor atoms, can lead to major differences in properties such as luminescence. The studies reported in this thesis contribute to the body of knowledge surrounding the use of coordination chemistry for both the solid–liquid extraction …

Biocatalytic Intramolecular C−H Aminations Via Engineered Heme Proteins: Full Reaction Pathways And Axial Ligand Effects, Yang Wei, Melissa Conklin, Yong Zhang

Chemistry: Faculty Publications and Other Works

Engineered heme protein biocatalysts provide an efficient and sustainable approach to develop amine-containing compounds through C−H amination. A quantum chemical study to reveal the complete heme catalyzed intramolecular C−H amination pathway and protein axial ligand effect was reported, using reactions of an experimentally used arylsulfonylazide with hemes containing L=none, SH−, MeO−, and MeOH to simulate no axial ligand, negatively charged Cys and Ser ligands, and a neutral ligand for comparison. Nitrene formation was found as the overall rate-determining step (RDS) and the catalyst with Ser ligand has the best reactivity, consistent with experimental reports. Both RDS and non-RDS (nitrene transfer) …

A Highly Conductive, Flexible, And 3d-Printable Carbon Nanotube-Elastomer Ink For Additive Bio-Manufacturing, Andy Shar, Phillip Glass, Daeha Joung Ph.D.

Undergraduate Research Posters

The synthesis of a highly conductive, flexible, 3D-printable, and biocompatible ink has been of great interest in the field of bio-based additive manufacturing. Various applications include ultra-sensitive, microscale tactile sensors, patient-customizable scaffolds for cardiac and nerve tissue regeneration, and flexible electrocardiogram (ECG) electrodes. Here, a novel elastomeric carbon nanocomposite is presented consisting of amino-functionalized carbon nanotubes (CNT-NH₂) homogenously dispersed in a one-part room-temperature vulcanizing (RTV) silicone matrix. The use of acetone as a swelling solvent aids in electrical percolation through the elastomer matrix. CNT-NH₂ ratios can be tuned to fit various needs; higher tensile strength is favored …

From Balancing Redox Reactions To Determining Change Of Oxidation Numbers, Pong Kau Yuen, Cheng Man Diana Lau

Faculty Publications

Redox reaction is a core concept in teaching and learning chemistry. This article explores a new method for balancing organic redox reactions that requires the balancing of both atoms and charges. The H+, O, H2O, and e– are used as balanced vehicles in two half reactions. A non-oxidation number approach can be applied to both molecular and ionic equations. The article also provides standard operating procedures and examples. The number of transferred electrons is first determined by balancing a half redox reaction; consequently; the change of oxidation numbers can be calculated. The mathematical equation of Te– = n Te– = …

Whole Exome Sequencing Identifies A Novel Mutation In Aspm And Ultra-Rare Mutation In Cdk5rap2 Causing Primary Microcephaly In Consanguineous Pakistani Families, Ehtisham Ul Haq Makhdoom, Haseeb Anwar, Shahid Mahmood Baig, Ghulam Hussain

Department of Biological & Biomedical Sciences

Background & objectives: Primary Microcephaly (MCPH) is a rare neurogenetic disease, manifesting congenitally reduced head circumference and non-progressive intellectual disability (ID). To date, twenty-eight genes with biallelic mutations have been reported for this disorder. The study aimed for molecular genetic characterization of Pakistani families segregating MCPH.
Methods: We studied two unrelated consanguineous families (family A and B) presenting >2 patients with diagnostic symptoms of MCPH, born to asymptomatic parents. We employed whole-exome sequencing (WES) of probands to find putative causal mutations. The candidate variants were further confirmed and analyzed for co-segregation by Sanger sequencing of all available members of each …

Synthesis And Characterization Of Multimetallic Clusters Featuring Iron, Cobalt, And 2,6-Bis(Trialkylsilylamino)Pyridines, Lynn Nguyen

Electronic Theses and Dissertations

Extended metal atom chain (EMAC) complexes are multimetallic complexes of three or more metals, often containing M-M bonds, with the metal ions arranged linearly. These complexes have significant potential as molecular wires. They can elicit unique physical properties and reactivities, sometimes a result of direct magnetic exchange between metal centers, especially when incorporating first row transition metals. The synthesis of the first linear, triiron (II) complex with 2,6-bis[(trimethylsilyl)amino]pyridine (H₂L^Me) featuring Fe-Fe bonding from our group, Fe₃L^Me₃, motivated the expansion of linear multimetallic EMAC complexes with Fe and Co, incorporating M-M bonds. …

A Core–Shell Au@Tio2 And Multi-Walled Carbon Nanotube-Based Sensor For The Electroanalytical Determination Of H2o2 In Human Blood Serum And Saliva, Ayman Ali Saeed, Mohammed Nooredeen Abbas, Waheed Fathi El-Hawary, Yousry Moustafa Issa, Baljit Singh

Articles

A hydrogen peroxide (H2O2) sensor was developed based on core–shell gold@ titanium dioxide nanoparticles and multi-walled carbon nanotubes modified glassy carbon electrode (Au@TiO2/MWCNTs/GCE). Core–shell Au@TiO2 material was prepared and characterized using a scanning electron microscopy and energy dispersive X-ray analysis (SEM/EDX), transmission electron microscopy (TEM), atomic force microscopy (AFM), Raman spectroscopy, X-ray diffraction (XRD) and Zeta-potential analyzer. The proposed sensor (Au@TiO2/MWCNTs/GCE) was investigated electrochemically using cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). The analytical performance of the sensor was evaluated towards H2O2 using differential pulse voltammetry (DPV). The proposed sensor exhibited excellent stability and sensitivity with a linear concentration …

Chemical Proteomic Identification And Functional Studies Of Cardiac Protein Glutathionylation, Maheeshi Yapa Abeywardana

Wayne State University Dissertations

Elevated intracellular levels of reactive oxygen species (ROS) are associated with induction of oxidative stress. Increased levels of ROS participate in development of cardiovascular diseases by modifying proteins reversibly or irreversibly. Especially, the cysteine residues can undergo oxidative post-translational modifications such as glutathionylation. Glutathionylation is an important regulatory reversible thiol oxidation. Identification and quantification of glutathionylated proteins is important for the understanding of the molecular mechanisms behind initiation and progression of many diseases. Our lab previously developed a click chemistry-based method to detect and identify glutathionylation in cells by synthesizing clickable-glutathione.We established a mass spectrometry-based strategy coupled with clickable glutathione …

Understanding The Effects Of Ligand Environment On Important Properties Of Redox-Active Europium Using Computational Chemistry And T1-Weighted Magnetic Resonance Imaging, Brooke Anne Corbin

Wayne State University Dissertations

This thesis is a collection of seven chapters that describes a combination of literature research and experimental analyses into the study of inorganic complexes, with an emphasis on the photophysics and coordination of redox-active europium. The first chapter summarizes the key features of each chapter. The second and third chapters are detailed overviews, including historical context, current studies, and future goals of imaging science, with an emphasis on inorganic complexes. The fourth chapter describes the design of a screening procedure to study new ligand environments for redox-active europium using magnetic resonance imaging and a proof-of-concept experiment. The fifth chapter is …

Extending Plasma Proteome Coverage To Enable Biomarker Discovery, Jordan Bruce Burton

Wayne State University Dissertations

Two features make plasma a valued source of health information: First, plasma contains secreted proteins from all tissues in the body and can, therefore, provide information about the health status of all tissues. Second, plasma is available in large quantity using a minimally invasive procedure that is well tolerated. The status of plasma as a valued source of health information is matched by the difficulty in extracting proteome information from the samples. Using state of the art instrumentation a standard analysis of plasma yields quantitative information on approximately 300 proteins. Extreme fractionation strategies coupled with increased mass spectrometry time extends …

Synthesis And Investigation Of Properties In Ternary Transition Metal Phosphide Nanomaterials For Electrochemical Water Splitting, Tharanga Nisansala Batugedara

Wayne State University Dissertations

Nanoscale transition metal phosphides are emerging as efficient catalysts for hydrogen production via electrochemical water splitting. Although monometallic phases have been extensively studied, enhanced catalytic activities and stabilities can be gained by the synergism of two metals in bimetallic ternary transition metal phosphides. In this dissertation, we report (1) the effect of the counter electrode and electrolyte on stabilities of Co2−xRhxP nanoparticles for water reduction (hydrogen evolution reaction, HER), (2) novel synthetic protocol development and electrocatalytic water splitting activity and stability study on Ni2-xRhxP nanoparticles, and (3) a preliminary investigation employing cation exchange methods to synthesize Cu-M-P (M= Fe, Co, …

The Impacts Of The Molecular Education And Research Consortium In Undergraduate Computational Chemistry On The Careers Of Women In Computational Chemistry, Kelly Anderson, Sarah Arradondo, K Aurelia Ball, Chrystal D. Bruce, Maria A. Gomez, Kedan He, Heidi Hendrickson, Lindsey Madison, Ashley Ringer Mcdonald, Maria C. Nagan, Carol Parish, Caitlin E. Scott, Patricia Soto, Aime'e Tomlinson, Mychel Varner

2022 Faculty Bibliography

The Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY) has supported a diverse group of faculty and students for over 20 years by providing computational resources as well as networking opportunities and professional support. The consortium comprises 38 faculty (42% women) at 34 different institutions, who have trained nearly 900 undergraduate students, more than two-thirds of whom identify as women and one-quarter identify as students of color. MERCURY provides a model for the support necessary for faculty to achieve professional advancement and career satisfaction. The range of experiences and expertise of the consortium members provides excellent networking opportunities …

Purification And Evaluation Of Manganese Superoxide Dismutase, Madison Detullio

Senior Honors Projects

The goal of this research is to evaluate the mechanism by which p53 and SOD2 interact • Develop purification protocols for both p53 and SOD2 • Evaluate DNA binding affinity of SOD2 and p53 • Conduct a series of assays to evaluate aggregation state of p53 and SOD2 under various conditions.

Comparison Of Electrochemical Polishing Treatments Between Phosphoric Acid And A Deep Eutectic Solvent For High-Purity Copper, Tarek M. Abdel-Fattah, Jon Derek Loftis

VIMS Articles

This study investigated and compared the acid-free electropolishing of copper with the state-of-the-art acidic electropolishing process. The acid-free medium used in this study is based on a deep eutectic solvent comprised of 2:1 ethylene glycol and choline chloride. The electrochemical study included voltammetry and chronoamperometry tests during the electropolishing process. The characterization techniques used were atomic force microscopy (AFM) and digital microscopy, and surface morphology comparisons summarized the electropolishing efficiency of phosphoric acid and acid-free deep eutectic solvent treatments for high-purity copper. Electropolishing copper with a deep eutectic solvent resulted in a mirror finish and a post-treatment surface that was …

Advancing Competency In Managing Risk And Knowledge: Steps Toward Operationalisation Of The Risk-Knowledge Infinity Cycle (Rki Cycle) Part 3: Uncovering Knowledge For Qrm Through Knowledge Mapping At Node 1, Martin Lipa, Valerie Mulholland, Anne Greene

Articles

To date, literature on the Risk-Knowledge Infinity Cycle (RKI Cycle) has mainly been theoretical. This paper series intent is to focus on the operationalisation of the RKI Cycle by describing a series of steps – the “How to” – for RKI Cycle deployment, to help move the RKI Cycle from theory to practice. The third paper in this series focuses on ensuring the best available knowledge flows into QRM through a case study demonstrating knowledge mapping to support effective quality risk assessment during commissioning and qualification activities.

Computational Study Of Quorum Quenching Of N-Acyl Homoserine Lactones By Ion Pairing To Cations, Ashen Anuradha Suduweli Kondage

Dissertations and Theses

Biofilms are the default state of microbial life and their formation on surfaces influences many processes. The coordinated behavior of microorganisms including their growth into biofilms occurs through a process termed quorum sensing during which they excrete specific signaling molecules called autoinducers. Recently it has been observed that Ag+ and Cu2+ ions interact with N-hexanoyl-L-homoserine autoinducers thereby inhibiting quorum sensing. Such inhibitors are called quorum quenchers. In this study, we have used density functional theory (DFT) calculations to study the ion pairing between select cations and short chained N-acyl-homoserine lactone (AHL) type autoinducers that are used by gram negative bacteria. …

The Effect Of Autophagy Related Protein 10 And Its Mutants On Autophagic Activity, Sk Nadia Rahman Silvia

Senior Honors Theses and Projects

Autophagy is the cellular degradation process in which cellular contents are encapsulated by double-membrane vesicles, autophagosomes, and delivered to the vacuole to be degraded and recycled. This process is important for cell health and homeostasis. There are approximately 32 different autophagy-related proteins involved. Atg10 is an enzyme that may affect overall autophagic activity by changing autophagosome size and/or number. Our goal is to find mutants that cause a significant, partial loss in Atg10’s activity by mutating some residues near the active site and testing the functionality of these mutants by performing western blots and enzymatic assays. Here we show that …

Web-Based Platform For Analysis Of Rna Folding From High Throughput Chemical Probing Data, Christopher Jurich, Amir Brivanlou, Silvi Rouskin, Joseph D. Yesselman

Chemistry Department: Faculty Publications

RNA structures play critical roles in regulating gene expression across all domains of life and viruses. Chemical probing methods coupled with massively parallel sequencing have revolutionized the RNA structure field by enabling the assessment of many structures in their native, physiological context. Previously, we developed Dimethyl-Sulfate-based Mutational Profiling and Sequencing (DMS-MaPseq), which uses DMS to label the Watson-Crick face of open and accessible adenine and cytosine bases in the RNA. We used this approach to determine the genome-wide structures of HIV-1 and SARS-CoV-2 in infected cells, which permitted uncovering new biology and identifying therapeutic targets. Due to the simplicity and …

On-Road Vehicle Emission Measurements And Their Use In Evaluating Emission Control Effectiveness {Presentation}, Gary A. Bishop

Fuel Efficiency Automobile Test Publications

No abstract provided.

The Art Of Poetry And Its Place In The History Of The Coordinating Research Councils Real World Emissions Workshop {Poster}, Gary A. Bishop

Fuel Efficiency Automobile Test Publications

No abstract provided.

Multilevel Computational Investigation Into The Dynamics And Reaction Mechanisms Of Non-Heme Iron And 2-Oxoglutarate Dependent Enzymes, Shobhit Sanjeev Chaturvedi

Dissertations, Master's Theses and Master's Reports

Computational chemistry methods have been extensively applied to investigate biological systems. This dissertation utilizes a multilevel computational approach to explore the dynamics and reaction mechanisms of two groups of enzymes belonging to non-heme Fe(II) and 2-oxoglutarate (2OG) dependent superfamily – histone lysine demethylases from class 7 and ethylene forming enzyme (EFE). Chapter 2 uncovers the role of conformational dynamics in the substrate selectivity of histone lysine demethylases 7A and 7B. The molecular dynamics (MD) simulations of the two enzymes revealed the importance of linker flexibility and dynamics in relative orientations of the reader (PHD) and the catalytic (JmjC) domains. Chapter …

Scale-Up Of Flow-Electrode Capacitive Deionization Method For Hard Water Softening, Noah Henry

Williams Honors College, Honors Research Projects

This study’s purpose is to further document a capacitive deionization design that could be capable of purifying H₂O at a household scale where clean water is otherwise unobtainable in applicable regions of the world. The hypothesis behind this study was continuously larger scaled electrochemical cell-units would increase their water softening capabilities in sustainable fashion. The trend at which performance will scale is currently unknown. The units studied were constructed using graphite plates, anion exchange membranes, cation exchange membranes, and Teflon channels. Three streams, two being CaCl₂ solutions in DI H₂O (one being concentrated with CaCl …

Reinforcement Of Elastomers By Reactive Ionic Surfactant, Nicole Vickerman

Williams Honors College, Honors Research Projects

Elastomers without cross-linking agents or fillers do not have the necessary properties for practical applications in the rubber industry. Elastomers must be reinforced with fillers and/or cross-linking agents to achieve the needs of physical and mechanical properties for commercial products. Sodium octyl 6-mercaptohexyl phosphate (SOMP) and sodium ethyl (6-mercaptohexyl) phosphate (SEMP) were used to investigate the influence of a reactive ionic surfactant and its influence on the physical properties of peroxide crosslinked styrene butadiene rubber (SBR). SEMP and SOMP were both found to be able to be grafted successfully on to the SBR chains within the rubber using extraction testing …

Sequential Block Copolymers Of Polyisobutylene And Polyolefins, Manwel Labib

Williams Honors College, Honors Research Projects

A two-step approach will be utilized to synthesize random polyolefin multiblock-copolymers. This strategy takes advantage of a,w-terminated telechelic polyolefins. Polypropylene (iPP)/polyethylene (PE) are picked because of their strength, and polyisobutylene (PIB) because of its hemocompatibility. This copolymer is theorized to make for robust bio-inert plastic, which can be used for surgical mesh implants.

Polybenzodiazine Aerogels: All-Nitrogen Analogues Of Polybenzoxazines Synthesis, Characterization, And High-Yield Conversion To Nanoporous Carbons, Vaibhav A. Edlabadkar, Saidulu Gorla, Rushi U. Soni, A. B.M.Shaheen Ud Doulah, Joseph Gloriod, Samuel Hackett, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

Tetrahydroquinazoline (THQ) was designed as an all-nitrogen analogue of main-stream benzoxazine monomers. THQ solutions in DMF gelled at 100 °C via HCl-catalyzed ring-opening polymerization to polybenzodiazine (PBDAZ) wet gels, which were dried in an autoclave with supercritical fluid CO₂ to aerogels. These as-prepared PBDAZ-100 aerogels undergo ring-fusion aromatization at 240 °C under O₂. This oxidized form is referred to as PBDAZ-240. Chemical identification of PBDAZ-100 and PBDAZ-240 relied on consideration of all nine possible polymerization pathways, in combination with elemental analysis, infrared and solid-state 13C NMR spectroscopy, and 15N NMR spectroscopy of aerogels from the selectively 15N-enriched …

Extensive Thiol Profiling For Assessment Of Intracellular Redox Status In Cultured Cells By Hplc-Ms/Ms, Jiandong Wu, Anna Chernatynskaya, Annalise Pfaff, Huari Kou, Nan Cen, Nuran Ercal, Honglan Shi

Computer Science Faculty Research & Creative Works

Oxidative stress may contribute to the pathology of many diseases, and endogenous thiols, especially glutathione (GSH) and its metabolites, play essential roles in the maintenance of normal redox status. Understanding how these metabolites change in response to oxidative insult can provide key insights into potential methods of prevention and treatment. Most existing methodologies focus only on the GSH/GSH disulfide (GSSG) redox couple, but GSH regulation is highly complex and depends on several pathways with multiple redox-active sulfur-containing species. In order to more fully characterize thiol redox status in response to oxidative insult, a high-performance liquid chromatography with tandem mass spectrometry …

Chimeranet: U-Net For Hair Detection In Dermoscopic Skin Lesion Images, Norsang Lama, Reda Kasmi, Jason R. Hagerty, R. Joe Stanley, Reagan Harris Young, Jessica Miinch, Januka Nepal, Anand Nambisan, William V. Stoecker

Electrical and Computer Engineering Faculty Research & Creative Works

Hair and ruler mark structures in dermoscopic images are an obstacle preventing accurate image segmentation and detection of critical network features. Recognition and removal of hairs from images can be challenging, especially for hairs that are thin, overlapping, faded, or of similar color as skin or overlaid on a textured lesion. This paper proposes a novel deep learning (DL) technique to detect hair and ruler marks in skin lesion images. Our proposed ChimeraNet is an encoder-decoder architecture that employs pretrained EfficientNet in the encoder and squeeze-and-excitation residual (SERes) structures in the decoder. We applied this approach at multiple image sizes …