Chemical Engineering Commons^™

Molecular Control Of Triplet-Pair Spin Polarization And Its Optoelectronic Magnetic Resonance Probes, Obadiah G. Reid, Justin C. Johnson, Joel D. Eaves, Niels H. Damrauer, John E. Anthony

Chemical and Materials Engineering Faculty Publications

Preparing and manipulating pure magnetic states in molecular systems are the key initial requirements for harnessing the power of synthetic chemistry to drive practical quantum sensing and computing technologies. One route for achieving the requisite higher spin states in organic systems exploits the phenomenon of singlet fission, which produces pairs of triplet excited states from initially photoexcited singlets in molecular assemblies with multiple chromophores. The resulting spin states are characterized by total spin (quintet, triplet, or singlet) and its projection onto a specified molecular or magnetic field axis. These excited states are typically highly polarized but exhibit an impure spin …

Design And Characterization Of A Novel Eef2k Degrader With Potent Therapeutic Efficacy Against Triple-Negative Breast Cancer, Changxin Zhong, Rongfeng Zhu, Ting Jiang, Sheng Tian, Xiaobao Zhao, Xiaoya Wan, Shilong Jiang, Zonglin Chen, Rong Gong, Linhao He, Jin-Ming Yang, Na Ye, Yan Cheng

Markey Cancer Center Faculty Publications

Dysregulated eEF2K expression is implicated in the pathogenesis of many human cancers, including triple-negative breast cancer (TNBC), making it a plausible therapeutic target. However, specific eEF2K inhibitors with potent anti-cancer activity have not been available so far. Targeted protein degradation has emerged as a new strategy for drug discovery. In this study, a novel small molecule chemical is designed and synthesized, named as compound C1, which shows potent activity in degrading eEF2K. C1 selectively binds to F8, L10, R144, C146, E229, and Y236 of the eEF2K protein and promotes its proteasomal degradation by increasing the interaction between eEF2K and the …

Surface Antibody Changes Protein Corona Both In Human And Mouse Serum But Not Final Opsonization And Elimination Of Targeted Polymeric Nanoparticles, Sara Capolla, Federico Colombo, Luca De Maso, Prisca Mauro, Paolo Bertoncin, Thilo Kähne, Alexander Engler, Luis Núñez, Gustavo Larsen, Et Al.

Department of Chemical and Biomolecular Engineering: Faculty Publications

Background: Nanoparticles represent one of the most important innovations in the medical field. Among nanocarriers, polymeric nanoparticles (PNPs) attracted much attention due to their biodegradability, biocompatibility, and capacity to increase efficacy and safety of encapsulated drugs. Another important improvement in the use of nanoparticles as delivery systems is the conjugation of a targeting agent that enables the nanoparticles to accumulate in a specific tissue. Despite these advantages, the clinical translation of therapeutic approaches based on nanoparticles is prevented by their interactions with blood proteins. In fact, the so-formed protein corona (PC) drastically alters the biological identity of the particles. Adsorbed …

Thermo-Kinetic Parameters Governing Decomposition Of Amino Acids: A Computational Study, Mubarak Taleb Alkwradi

Theses

Amino acid model compounds are important nitrogenated species that in various categories of biomass. These compounds exhibit unique fragmentation pathways because of their adjacent amino and hydroxyl groups. Comprehending the decomposition chemistry of amino acids is essential to reduce harmful nitrogen emissions during biomass thermal treatment. This research reports the kinetic and thermodynamic properties of amino acids, and sulfur-containing amino acid, based on accurate density functional theory calculations coupled with kinetic modelling. The first part of the thesis provides comprehensive thermochemical parameters for the complete set of amino acids in the gas phase. The optimized geometries of amino acid compounds …

Selective Production Of Levoglucosan (Lg) From Pyrolysis Of Date Pits And Its Catalytic Transformation Into Transportation Fuels, Ala Hamid Higazi

Theses

Levoglucosan (LG) or (1,6-anhydro-β-D-glucopyranose) signifies important sugar derivatives produces in appreciable quantities from thermochemical and biochemical degradation of biomass. It is often regarded as an important platform chemical for the synthesis of value-added products, most notably styrene and furans. The work in this thesis entails two broad aims; to produce LG from pyrolysis of date pits; and then convert the LG into transportation fuels through a hydrodeoxygenation (HDO) reaction. The particular choice of date pits stems from its local relative abundance as a waste biomass. Aiming to further improve the yield of levoglucosan yields from pyrolysis of date pits, pre-treatment …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods, Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Assessing The Thermodynamic Potential Of Deep Eutectic Solvents In The Absorption Of Greenhouse Gases Through Computational Methods., Thomas Michael Quaid

Theses and Dissertations

Greenhouse gas (GHG) capture is a fundamental technology in the fight against climate change. Some species of devastating GHGs like fluorinated compounds are released directly to the air from industrial processes. Some GHGs are co-produced in sustainably derived biofuels which require absorptive upgrading. The development of more efficient, cost effective, and environmentally friendly methods of capturing GHG’s from pollutant sources and industrial streams is of utmost importance in the fight against climate change. Deep eutectic solvents have entered the separations stage as potential disruptors to conventional solvent choices for a variety of applications. Deep eutectic solvents (DES) are compounds of …

Metal Organic Frameworks With Carbon Black For The Enhanced Electrochemical Detection Of 2,4,6-Trinitrotoluene, Shaghraf Javaid, Muhammad R. Azhar, Xinyu Li, Juliette I. Phillips, Tanveer Hussain, Hussein Abid, Jun Chen, Xiaobo Ji, Debbie S. Silvester

Research outputs 2022 to 2026

The sensing of explosives such as 2,4,6-trinitrotoluene (TNT) directly at an explosion site requires a fast, simple and sensitive detection method, to which electrochemical techniques are well suited. Herein, we report an electrochemical sensor material for TNT based on an ammonium hydroxide (NH4OH) sensitized zinc-1,4–benzenedicarboxylate Zn(BDC) metal organic framework (MOF) mixed with carbon black on a glassy carbon electrode. In the solvent modulation mechanism, by merely changing the concentration of NH4OH during synthesis, two Zn(BDC) MOFs with novel morphologies were fabricated via a hydrothermal approach. The as-prepared MOFs were characterized using X-ray powder diffraction (XRD), scanning electron microscopy (SEM), Fourier …

Synthesis Of Glucomannan-Xylan Composite Biofilms: Characterization And Applications For Food Packaging, Kholoud Al-Ajlouni

Dissertations

Scientists are most concerned about the need for green alternatives for efficient food packaging polymers to replace petroleum-based packaging products. The waste of corn cobs and the roots of the konjac plant contain hemicellulose, xylan and glucomannan respectively, and can be used to produce biofilms for food packaging.

The aim of these studies is to formulate biofilms from glucomannan-xylan blends that compete with petroleum-based plastic wrap. The biofilms must be strong, smooth, transparent, have a water vapor barrier, have the required mechanical properties and be cheap. Biofilms from glucomannan were stiff, lacked mechanical properties, and absorbed moisture. Therefore, it reacts …

Exploring Modalities Of Productivity And Critical Quality Attributes In Fed-Batch Chinese Hamster Ovary Cell Cultures, Stephanie Klaubert

All Dissertations

Chinese hamster ovary (CHO) cells are among the most commonly used mammalian cell lines for the production of recombinant therapeutic proteins due to ease of culturing and humanlike post-translational modification capabilities. However, when compared to microbial systems, CHO cell line growth and productivity is relatively low. As the demand for monoclonal antibody (mAb) treatments continues to rise, it is critical to explore modalities for improved growth and productivity in CHO cell cultures, with the goal of increased protein concentrations and maintained product quality. Though some mechanisms for improved productivity, including temperature and cell culture media formulations, are relatively well understood; …

Citrate Hydrogels For Regenerative Medicine Applications, Mark Pitman

All Dissertations

Regenerative medicine focuses on restoring cells and tissues to re-establish proper function. Hydrogels are a customizable and adaptable set of materials that can be engineered as tools for regenerative medicine. My research has focused on developing and applying biomaterials to spinal cord injury and chronic wounds. Spinal cord injury and chronic wounds share pathophysiological issues with oxidative stress, excess free, and macrophage polarization. Furthermore, both conditions lack robust, effective treatments. We hypothesized that citrate hydrogels – hydrogels that contain citric acid as a functional component – would provide radical scavenging and iron chelation that would benefit both conditions. The hydrogels …

Characterization Of Interlayer Laser Shock Peening During Fused Filament Fabrication Of Polylactic Acid (Pla), Fabien Denise

Department of Mechanical and Materials Engineering: Dissertations, Theses, and Student Research

The field of additive manufacturing (AM) has gained a significant amount of popularity due to the increasing need for more sustainable manufacturing techniques and the adaptive development of complex product geometries. The problem is that AM parts routinely exhibit flaws or weaknesses that affect functionality or performance. Over the years, surface treatments have been developed to compensate certain flaws or weaknesses in manufactured products. Combining surface treatments with the modularity of additive manufacturing could lead to more adaptable and creative improvements of product functions in the future. The current work evaluates the feasibility of pursuing a new research axis in …

Development Of Lignin-Based Copolymers And Polymer Blends, David Chem

Graduate Theses and Dissertations

Increasing industrial interest in reducing fossil fuels in virgin polymer production and incorporating bio-based polymeric materials has led researchers to explore the potential of utilizing plant-based polymers such as lignin. Chapter 1 of this thesis presents a comprehensive overview of copolymerization and blending techniques for lignin and synthetic polymers, emphasizing different types of modifications and copolymerization techniques as well as key parameters such as temperature, reaction time, pH level, and solution compositions. These valorization methods are directed towards the development of high-value lignin-based materials with properties well-suited for various commercial applications. Chapter 2 offers a fundamental exploration into the amination …

Enhancing Rubber (Hevea Brasiliensis) Seed Shell Biochar Through Acid-Base Modification For Effective Phenol Removal From Aqueous Environments, Oyinlola R. Obanla, Jamie A. Hestekin, Modupe E. Ojewumi, Imen Bousrih, Modupeoluwa C. Fawole

Chemical Engineering Faculty Publications and Presentations

This work encompasses using acid-base modified rubber seed shell biochar (RSSB) as an adsorption approach to eradicate phenol from aqueous mediums. Potassium hydroxide (KOH) was used pre-pyrolysis to modify the RSS, and hydrochloric acid (HCl) was used post-pyrolysis to modify the RSSB. The methodology was divided into three stages: RSS pretreatment, RSS base-modification and pyrolysis, and RSSB acid-modification and processing. Temperature, pH and several other factors were investigated for their impacts on the adsorbent, and optimal conditions were established at pH 6, 1.0 g of rubber seed shell biochar (RSSB), 50 mg/L initial concentration, 120 min contact time, and 30°C …

Thermo-Kinetic Parameters Governing Decomposition Of Amino Acids: A Computational Study, Mubarak Taleb Alkwradi

Thesis/ Dissertation Defenses

Amino acid model compounds are important nitrogenated species that in various categories of biomass. These compounds exhibit unique fragmentation pathways because of their adjacent amino and hydroxyl groups. Comprehending the decomposition chemistry of amino acids is essential to reduce harmful nitrogen emissions during biomass thermal treatment. This research reports the kinetic and thermodynamic properties of amino acids, and sulfur-containing amino acid, based on accurate density functional theory calculations coupled with kinetic modelling. The first part of the thesis provides comprehensive thermochemical parameters for the complete set of amino acids in the gas phase. The optimized geometries of amino acid compounds …

Constructing Carbon-Encapsulated Nifev-Based Electrocatalysts By Alkoxide-Based Self-Template Method For Oxygen Evolution Reaction, En-Hui Ma, Xu-Po Liu, Tao Shen, De-Li Wang

Journal of Electrochemistry

The development of green and sustainable water-splitting hydrogen production technology is beneficial to reducing the over-reliance on fossil fuels and realizing the strategic goal of "carbon neutral". As one of the half reactions for water splitting, oxygen evolution reaction has suffered the problems of sluggish four-electron transfer process and relatively slow reaction kinetics. Therefore, exploring efficient and stable catalysts for oxygen evolution reaction is of critical importance for water-splitting technology. Metal alkoxides are a series of compounds formed by the coordination function of metal ions with alcohol molecules. Metal alkoxides possess the double advantages of organic materials and inorganic materials, …

Equation-Based And Data-Driven Modeling: Open-Source Software Current State And Future Directions, Lagrande Gunnell, Bethany Nicholson, John Hedengren

Faculty Publications

A review of current trends in scientific computing reveals a broad shift to open-source and higher-level programming languages such as Python and growing career opportunities over the next decade. Open-source modeling tools accelerate innovation in equation-based and data-driven applications. Significant resources have been deployed to develop data-driven tools (PyTorch, TensorFlow, Scikit-learn) from tech companies that rely on machine learning services to meet business needs while keeping the foundational tools open. Open-source equation-based tools such as Pyomo, CasADi, Gekko, and JuMP are also gaining momentum according to user community and development pace metrics. Integration of data-driven and principles-based tools is emerging. …

Investigating Bim Applications In Reducing Co2 Emissions In The Built Environment, Rua Ahmed Maali

Thesis/ Dissertation Defenses

Large amounts of CO2 are released into the atmosphere throughout the life cycle of a building starting from the production of materials and products, in the construction phase of the building itself, in the site setting, the renovations, the later rehabilitation, and up to the final demolition. Hence, this thesis aims to investigate the potential of using Building Information Modeling (BIM) in making informed decisions that can help in reducing CO2 emissions in the life cycle of built environment projects. This study has used a mixed method approach that include literature review, a case study and semistructured interviews. The literature …

Development Of Unsaturated Polyester Resin Mortar Utilizing Industrial Wastes, Fatema Ahmed Alahmed

Thesis/ Dissertation Defenses

In recent years, polymer mortar (PM) has played a crucial role in the modern construction industry. It is gaining recognition as an effective and quick repair material in construction applications because it has several benefits over traditional Portland cement concrete. Various types of polymer binders, such as unsaturated polyester resin (UPR), have been used in these materials owing to their low cost, excellent strength, high workability, and rapid curing. This study investigates the feasibility of reutilizing locally available waste in the production of UPR-based polymer mortar, which facilitates the development of mortars with less environmental impact. In this study, the …

The Effects Of Engineering Summer Camps On Middle And High School Students’ Engineering Interest And Identity Formation: A Multi-Methods Study, Timothy Robinson, Adam Kirn, Jenny Amos, Indira Chatterjee

Journal of Pre-College Engineering Education Research (J-PEER)

This multi-methods study explores changes in engineering interest and identity of middle and high school students (n = 79) attending introductory-level engineering summer camps at a large western land grant university. Middle school is a critical time when student interest, identity, and subsequently career choice begin to emerge and hence it is important that at this age students are given accurate information about engineering majors in college and future career opportunities in engineering. Data were collected over a period of two years in six summer camps. Three separate populations of middle and high school students participated in the summer …