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Articles 361 - 390 of 14228
Full-Text Articles in Entire DC Network
Carbon Supported Octahedral Ptni Nanoparticles (Oct-Ptni/C) As A Cathode Catalyst For Proton Exchange Membrane Fuel Cells (Pemfcs) With Improved Activity And Durability, Zi-Wei Feng, Hai-Zhong Chen, Xiao Duan, Ling Tang, Yun-Kun Zhao, Long Huang
Carbon Supported Octahedral Ptni Nanoparticles (Oct-Ptni/C) As A Cathode Catalyst For Proton Exchange Membrane Fuel Cells (Pemfcs) With Improved Activity And Durability, Zi-Wei Feng, Hai-Zhong Chen, Xiao Duan, Ling Tang, Yun-Kun Zhao, Long Huang
Journal of Electrochemistry
Proton exchange membrane fuel cells (PEMFCs) are considered as a promising renewable power source. However, the massive commercial application of PEMFCs has been greatly hindered by their high expense and less-satisfied performance mainly due to the sluggish oxygen reduction reaction (ORR) kinetics even on state-of-the-art Pt catalyst. Octahedral PtNi nanoparticles (oct-PtNi NPs) with excellent ORR activity in a half-cell have been widely studied, while their performance in membrane electrode assembly (MEA) has much less reported. Herein, we investigated the MEA performance using the carbon supported oct-PtNi NPs (oct-PtNi/C) as the cathode catalyst. Under the mild acid washing condition, the surface …
Transient Grating Spectroscopy Nondestructively Characterizes The Mechanics Of Rubbery Polymers And Soft Gels, Christopher W. Barney, Angela A. Pitenis, Bolin Liao, Allison L. Chau
Transient Grating Spectroscopy Nondestructively Characterizes The Mechanics Of Rubbery Polymers And Soft Gels, Christopher W. Barney, Angela A. Pitenis, Bolin Liao, Allison L. Chau
University Research
Designing efficient mechanisms for moving mechanical assemblies requires the use of materials with well-defined mechanical responses. Appropriate methods are needed to characterize these mechanical responses. Mechanical characterization of soft materials is critical in the high strain rate regime where intuition from manipulating a material at low rates fails to translate to applications including impact protection, tire traction, and sound damping. Here, transient grating spectroscopy (TGS) is used to measure wave propagation for soft elastomers and hydrogels. TGS is a non-destructive and non-contact optoacoustic technique that enables high strain rate measurements of the bulk modulus, a measure of a material's resistance …
The Role Of Side-Chain Length And Counterion Mediation On Dimerization Of Rigid Sphere-Rod Amphiphiles: A Molecular Dynamics Investigation, Mesfin Tsige, Tianbo Liu, Javad Tamnanloo, Abdol Hadi Mokarizadeh
The Role Of Side-Chain Length And Counterion Mediation On Dimerization Of Rigid Sphere-Rod Amphiphiles: A Molecular Dynamics Investigation, Mesfin Tsige, Tianbo Liu, Javad Tamnanloo, Abdol Hadi Mokarizadeh
University Research
Rigid sphere-rod amphiphiles (RSRAs) comprising a Keggin polyoxometalate (POM) headgroup and an oligofluorene rod with different side chain lengths (C2, C6, C10, C16, are the number of carbon atoms per side chain) were probed by all-atom molecular dynamics in THF/water mixtures (15 and 33 vol % THF) with tetrabutylammonium (TBA+) counterions to elucidate the molecular origins of dimerization. Despite strong Keggin-Keggin electrostatic repulsion, stable dimers form through a synergy of (i) hydrophobic rod/side-chain interaction that strengthens with side-chain length and (ii) counterion-mediated attraction by TBA+, which localizes near the Keggins to screen electrostatic repulsion. Packing evolves from near-parallel rods for …
Enhancing Deep Learning And Workload Management In Online Education: The Power Of Scaffolded Weekly Assessments, Maryam Mohammad Zadeh, Rebecca Ferrari
Enhancing Deep Learning And Workload Management In Online Education: The Power Of Scaffolded Weekly Assessments, Maryam Mohammad Zadeh, Rebecca Ferrari
International Journal of Teaching and Learning in Higher Education
This study investigates the use of scaffolded weekly assessments with individual feedback in promoting deep learning and managing workload among engineering students in online education. The research focuses on how these assessment strategies shape students’ learning approaches and workload distribution. The study involved the implementation of weekly assessments aligned with intended learning outcomes, complemented by personalized feedback. Data collection comprised student surveys and qualitative feedback to assess the impact on learning approaches and workload management. The qualitative results show that 91.9% of the students adopted deep learning, where only 8.1% engaging in surface learning. Students reported that this approach not …
Theoretical Analysis Of Mir-Based Differential Photoacoustic Spectroscopy For Noninvasive Glucose Sensing, Tasnim Ahmed, Khan Mahmud, Md Rejvi Kaysir, Shazzad Rassel, Dayan Ban
Theoretical Analysis Of Mir-Based Differential Photoacoustic Spectroscopy For Noninvasive Glucose Sensing, Tasnim Ahmed, Khan Mahmud, Md Rejvi Kaysir, Shazzad Rassel, Dayan Ban
Electrical and Computer Engineering Faculty Research
Diabetes is a developing global health concern that cannot be cured, necessitating frequent blood glucose monitoring and dietary management. Photoacoustic Spectroscopy (PAS) in the mid-infrared (MIR) region has recently emerged as a viable noninvasive blood glucose monitoring technique. However, MIR-PAS confronts significant challenges: (i) Water absorption, which reduces light penetration, and (ii) interference from other blood components. This paper systematically analyzes the background of photoacoustic signal generation and proposes a differential PAS (DPAS) in the MIR region for removing the background signals arising from water and other interfering components of blood, which improves the overall detection sensitivity. A detailed mathematical …
Comparing And Optimizing Hollow Fibre And Flat Sheet Vacuum Membrane Distillation, Hamed Kariman, Mehdi Khiadani, Hussein A. Mohammed
Comparing And Optimizing Hollow Fibre And Flat Sheet Vacuum Membrane Distillation, Hamed Kariman, Mehdi Khiadani, Hussein A. Mohammed
Research outputs 2022 to 2026
Membrane Distillation (MD) systems have the potential to tackle the growing global water demand. Within various MD systems, Vacuum Membrane Distillation (VMD) systems are particularly important in addressing this issue. Hollow Fibre VMD (HF-VMD) and Flat Sheet VMD (FS-VMD) are the two main configurations of VMD systems, where limited studies are available on their comparison and optimisation under identical operational conditions. This study firstly charts the mathematical modelling of HF-VMD and FS-VMD systems that have been developed, accounting for the amount of flux, Gain Output Ratio (GOR), Temperature Polarisation Coefficient (TPC), and Specific Thermal Energy Consumption (STEC) of both configurations …
Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz
Applications For The Quasi-Atomic Orbital And Constrained Density Functional Theory Methods On Catalytic Reactions, Alvaro David Loaiza Orduz
LSU Doctoral Dissertations
Selective activation of C–O, C–H, and C–C bonds underpins biomass upgrading, alkane functionalization, and CO₂ conversion. Despite their importance, the electronic factors governing catalytic performance remain incompletely understood, and many industrial processes still rely on empirical trends or material-specific observations. This dissertation addresses this gap by applying density functional theory (DFT), thermodynamic decomposition, and electronic-structure analysis to identify unifying principles of reactivity across transition-metal phosphides, vanadate oxides, copper-based electrocatalysts, and mixed IrO₂–RuO₂ layers. This work examines how charge transfer, orbital localization, and ligand-induced perturbations control reaction pathways in diverse catalytic systems. C–O bond scission in 2-methyltetrahydrofuran (MTHF) and methanol was …
Distributed Model Predictive Control-Based Power Management Scheme For Grid-Integrated Microgrids, Sergio Escareno, Sijo Augustine, Liang Sun, Sathishkumar J. Ranade, Olga Lavrava, Enrico Pontelli, John Hedengren
Distributed Model Predictive Control-Based Power Management Scheme For Grid-Integrated Microgrids, Sergio Escareno, Sijo Augustine, Liang Sun, Sathishkumar J. Ranade, Olga Lavrava, Enrico Pontelli, John Hedengren
Faculty Publications
Transitioning from traditional electrical grids to smart grids is currently an ongoing process that many nations are striving for due to their access to renewable resources. Energy management is one of the key parameters that decides the performance of such complex systems. Distributed Model Predictive Control (DMPC) is a promising technique that can be used to improve the energy management of grid-connected systems. This paper analyzes a grid-connected inverter system with DMPC that exchanges key operating parameters with the grid to optimize coordinated power sharing between its respective loads. The state-space model for the inverter is derived and verified to …
Molecular Survival Strategies Against Kidney Filtration: Implications For Therapeutic Protein Engineering, William Heaps, Anna Elise Packard, Kristina M. Mccammon, Tyler P. Green, Joseph P. Talley, Bradley C. Bundy, Dennis Della Corte
Molecular Survival Strategies Against Kidney Filtration: Implications For Therapeutic Protein Engineering, William Heaps, Anna Elise Packard, Kristina M. Mccammon, Tyler P. Green, Joseph P. Talley, Bradley C. Bundy, Dennis Della Corte
Faculty Publications
The glomerular filtration barrier poses a significant challenge for circulating proteins, with molecules below ~60–70 kDa facing rapid renal clearance. Endogenous proteins have evolved sophisticated evasion mechanisms including oligomerization, carrier binding, electrostatic repulsion, and FcRn-mediated recycling. Understanding these natural strategies provides blueprints for engineering therapeutic proteins with improved pharmacokinetics. This review examines how endogenous proteins resist filtration, evaluates their application in protein engineering, and discusses clinical translation including established technologies (PEGylation, Fc-fusion) and emerging strategies (albumin-binding domains, glycoengineering). We address critical challenges of balancing half-life extension with tissue penetration, biological activity, and immunogenicity—essential considerations for the rational design of next-generation …
Precision Acoustofluidics For High-Throughput Mechanobiology In Suspension Cells, Kaichun Yang, Ruoyu Zhong, Ke Li, John Mai, Pengzhan Liu, Ye He, Joseph Rich, Ying Chen, Janna Wang, Zhiteng Ma, Zhiteng Ma, Xianchen Xu, Qian Wu, Tony Jun Huang
Precision Acoustofluidics For High-Throughput Mechanobiology In Suspension Cells, Kaichun Yang, Ruoyu Zhong, Ke Li, John Mai, Pengzhan Liu, Ye He, Joseph Rich, Ying Chen, Janna Wang, Zhiteng Ma, Zhiteng Ma, Xianchen Xu, Qian Wu, Tony Jun Huang
Faculty Publications
Mechanomodulation, the process of altering cellular behavior through applied mechanical forces, plays a critical role in physiological processes and has substantial implications for cancer therapy, immunology, and drug development. However, precise and efficient stimulation of nonadherent cells remains a major challenge, limiting the investigation of mechanotransduction pathways and the development of targeted therapeutics. Here, we developed an acoustofluidic platform named Suspension-cell Targeted Response to Excitation via Acoustofluidic Mechanomodulation (STREAM) to enable precise, high-throughput stimulation of suspension cells. STREAM accomplishes this using 101.14-megahertz high-frequency surface acoustic waves to deliver controlled mechanical stimulation at a throughput of 500,000 cells per minute. STREAM …
Continuous Sorption Of Ionic Dyes Onto Nanoporous Faujasite Zeolite And The Regeneration Of The Adsorbent, Frederick O. Oshomogho, Miracle Aisosa Omorogieva
Continuous Sorption Of Ionic Dyes Onto Nanoporous Faujasite Zeolite And The Regeneration Of The Adsorbent, Frederick O. Oshomogho, Miracle Aisosa Omorogieva
BAU Journal - Science and Technology
This study evaluates the efficiency of synthesized faujasite zeolite in the continuous removal of methylene blue from water and tests the reusability of the regenerated adsorbent. Faujasite Zeolite was synthesized from locally available aluminosilicate clay in Edo State using standard methods documented in the literature. XRF analysis affirmed the elemental composition, showing high levels of silica and alumina, which increased its adsorption capacity. SEM images depicted a crystal-clear structure with an octahedral shape and visible micro-pores on the surface. TGA showed effective thermal stability below 300 ºC, with a 10% weight loss between 28.59 ºC and 300 ºC. BET analysis …
Deep Learning-Based Co-Current Upward Gas-Liquid Two-Phase Flow Regime Identification In An Annular Conduit, Joshua Robert Macomber
Deep Learning-Based Co-Current Upward Gas-Liquid Two-Phase Flow Regime Identification In An Annular Conduit, Joshua Robert Macomber
Graduate Theses, Dissertations, and Problem Reports (ETD)
Flow regime identification in co-current upward gas-liquid flow through annular conduits remains a significant challenge in petroleum engineering, with major safety and operational implications. It is also important across industries involving the transport of multiphase fluids. Misidentifying flow regimes can introduce major operational risk, yet regime boundaries in annular gas-liquid flow are often visually complex and context dependent.
The objective of this study was to evaluate the utility of convolutional neural network (CNN) classifiers for flow regime identification. The CNN was trained using annular flow image dataset published by Texas A&M University. The dataset consists of approximately 947 RGB images …
Ion-Imprinted Polymer-Based Sensors For Toxic Metal-Ion Detection In Water: Coordination Chemistry, Transduction Strategies, And Environmental Applications, Ghita Yammouri, Gymama Slaughter
Ion-Imprinted Polymer-Based Sensors For Toxic Metal-Ion Detection In Water: Coordination Chemistry, Transduction Strategies, And Environmental Applications, Ghita Yammouri, Gymama Slaughter
Center for Bioelectronics Publications
Toxic metal contamination in aquatic environments remains a persistent threat to human health and ecosystems. Yet, the high cost, infrastructure demands, and centralized nature of conventional analytical methods constrain routine monitoring. Ion-imprinted polymers (IIPs), a subclass of molecularly imprinted polymers, have emerged as promising synthetic recognition materials for metal-ion sensing because they generate coordination-defined binding sites with high selectivity, chemical stability, low cost, and reusability. This review summarizes recent advances in Ion-imprinted polymer (IIP)-based sensing technologies for toxic metal-ion detection in water from 2016 to 2026. It examines the fundamental recognition chemistry of IIPs, major synthesis strategies used to generate …
Charge‐Governed Mechanistic Evaluation Of Aav2 Clarification Via Functionalized Flat Sheet And Hollow Fiber Deconstructed Depth Filters, Mara Baughman‐Leach, Mattie Brock, Malgorzata Chwatko, Dibakar Bhattacharyya
Charge‐Governed Mechanistic Evaluation Of Aav2 Clarification Via Functionalized Flat Sheet And Hollow Fiber Deconstructed Depth Filters, Mara Baughman‐Leach, Mattie Brock, Malgorzata Chwatko, Dibakar Bhattacharyya
Chemical and Materials Engineering Faculty Publications
The expansion of adeno-associated virus (AAV)-based therapeutics has increased the demand for efficient clarification. In this study, a functionalized deconstructed depth filtration platform was developed to dissect how membrane–virus charge, modulated by pH, influences separation. Three charge regimes, positive (pH 4), neutral (pH 6), and negative (pH 8) between the membranes and AAVs, were examined. The flat-sheet system, composed of sequential 1.2, 0.8, 0.45, and 0.1 µm membranes, enabled the first layer-by-layer analysis of depth filtration behavior. This revealed that Stage 1 and Stage 4 dominate clarification. Remarkably, substantial DNA capture (> 75%) was observed even in the largest-pore stage, …
Creep-Recovery Behavior Of Copper Springs At Low Stresses, Ming-Yen Tsai, Shou-Yi Chang, Yi-Chia Chou, Jyun-Lin Hu, Yulin Zhang, Fuqian Yang, Sanboh Lee
Creep-Recovery Behavior Of Copper Springs At Low Stresses, Ming-Yen Tsai, Shou-Yi Chang, Yi-Chia Chou, Jyun-Lin Hu, Yulin Zhang, Fuqian Yang, Sanboh Lee
Chemical and Materials Engineering Faculty Publications
Copper springs, unlike conventional wires, endure complex stress states such as torsion and bending under sustained thermal and mechanical loads. This study examines the time-dependent creep-recovery behavior of copper springs under low tensile forces at temperatures ranging from 523 K to 623 K, focusing on springs with spring indexes (ratio of mean spring diameter to wire diameter) of 6.4, 8.5, and 9.6. The non-linear Burgers model with a Kelvin solid effectively captures the deformation response and mirrors dislocation nucleation and annihilation kinetics. SEM and TEM imaging reveal that low-angle grain boundaries (LAGBs) act as both dislocation sources and sinks. The …
Computational Study Of Rotating Detonation Combustors, Aditya Balasubramaniam
Computational Study Of Rotating Detonation Combustors, Aditya Balasubramaniam
Mechanical and Aerospace Engineering Theses
Rotating detonation combustors (RDCs) are pressure-gain combustion devices that sustain one or more continuously rotating detonation waves, offering potential thermodynamic and performance advantages over conventional deflagration-based systems. Their behavior depends strongly on combustor geometry and operating conditions. Understanding these effects is therefore essential for the design and optimization of practical RDCs. Accordingly, this thesis numerically investigates annular RDCs with two primary objectives: (1) to evaluate the effects of propellant mass flux and (2) to assess the influence of annular width on detonation-wave dynamics and combustor performance.
A finite-volume framework is used to solve the compressible reactive Euler equations with hydrogen–air …
Ensemble Dependence Of Mechanical Relaxation In Molecular Dynamics Simulation, Mason E. Hyde
Ensemble Dependence Of Mechanical Relaxation In Molecular Dynamics Simulation, Mason E. Hyde
Open Access Master's Theses
This thesis investigates whether the selection of thermodynamic ensemble introduces quantifiable differences in the stress relaxation modulus G(t), storage modulus G”(w), loss modulus G”(w), and phase angle d(w) computed from equilibrium molecular dynamics simulations of the AAA-1 asphalt model. A 72-molecule, 12-component representation of AAA-1 bitumen was simulated under three ensembles (NPT, NVT, and NVE) at three temperatures (400.15 K, 443.15 K, and 533.15 K) with three independent replications at each condition, yielding 27 total simulations. Stress autocorrelation functions were computed from each production trajectory and Fourier-transformed to obtain frequency-dependent rheological properties.
The computed properties …
Mental Health And Help-Seeking In Engineering Education: Beliefs, Norms, And Intervention Pathways For Undergraduate Students, Matthew D. Whitwer
Mental Health And Help-Seeking In Engineering Education: Beliefs, Norms, And Intervention Pathways For Undergraduate Students, Matthew D. Whitwer
Theses and Dissertations--Chemical and Materials Engineering
Engineering education is at a critical juncture where supporting student mental health is essential for fostering persistence, equity, and the development of a resilient and innovative workforce. While engineering students experience high levels of distress and low rates of mental health treatment seeking (known as a mental health treatment gap), there is a gap in knowledge around how this compares to that of students in other fields of study. Further, while efforts have been made to improve the mental health treatment gap in engineering, they are limited by a lack of actionable, theory-based targets. Therefore, this dissertation aims to characterize …
Process Modeling, Operability Analysis, And Techno-Economic Optimization Of Soecs For Sustainable H2 Production, Krishna Murthy Busam
Process Modeling, Operability Analysis, And Techno-Economic Optimization Of Soecs For Sustainable H2 Production, Krishna Murthy Busam
Graduate Theses, Dissertations, and Problem Reports (ETD)
The global imperative to decarbonize energy systems has intensified research into sustainable hydrogen production pathways, as hydrogen emerges as a critical energy carrier for sectors difficult to electrify directly. Among water electrolysis technologies, solid oxide electrolyzer cells operating at elevated temperatures offer the highest theoretical efficiency by utilizing thermal energy to reduce electrical energy requirements, yet comprehensive frameworks integrating electrochemical modeling with process operability analysis and techno-economic optimization remain scarce in the literature. This dissertation develops a process systems framework for proton-conducting solid oxide electrolyzer cells that bridges the gap between fundamental electrochemical phenomena and industrial-scale process economics. At the …
Convergence Of High Throughput Experimentation And Machine Learning To Rapidly Advance Application-Specific Polymer Development, Mashrafee Aryan, Daniel Struble, Felix Campbell, Saroj Upreti, S. M.Ashik Abedin, Aahil Khambawla, Jeetain Mittal, Michael S. Dimitriyev, Emily B. Pentzer, Svetlana A. Sukhishvili, Xiaodan Gu, Boran Ma
Convergence Of High Throughput Experimentation And Machine Learning To Rapidly Advance Application-Specific Polymer Development, Mashrafee Aryan, Daniel Struble, Felix Campbell, Saroj Upreti, S. M.Ashik Abedin, Aahil Khambawla, Jeetain Mittal, Michael S. Dimitriyev, Emily B. Pentzer, Svetlana A. Sukhishvili, Xiaodan Gu, Boran Ma
Faculty Publications
Machine learning (ML) has heavily influenced the way scientific study is done with demonstrated successes in nearly every field. However, furthering performance and explainability of ML models in increasingly complex systems and with increasingly demanding outcomes requires a significant influx of high-quality data. To that end, this Review covers some of the techniques, instrumentation, and methodologies that have shown promise for significantly accelerating the discovery of polymer materials, optimization of their properties, and elucidation of property–application relationships through high throughput (HT) experimentation, characterization, and analysis. Attention is given to not only ML, but also to hardware advancements and their synergy …
Mechanical Fractionation Of Wheat Middlings For Application In Pyrolysis And Animal Feed, Okwudili I. Obiakor
Mechanical Fractionation Of Wheat Middlings For Application In Pyrolysis And Animal Feed, Okwudili I. Obiakor
Dissertations, Master's Theses and Master's Reports
Wheat middlings are grain byproducts that are underused for bioenergy production despite having a high lignocellulose content. Its use as a feedstock for catalytic pyrolysis depends on effective and sustainable fractionation to enhance efficiency and product yield. This study tested mechanical pre-fractionation (sieving and air classification) to reduce ash content of certain fractions to < 1% for catalytic pyrolysis and enrich nutrient levels of other fractions for feed applications. Wheat middlings were separated into 11 fractions using screen sizes from 106 µm to 1651 µm, and the composition of each fraction was characterized (ash, protein, structural carbohydrates, lignin, starch, and simple sugars). For cyclone separation, a full factorial design was used to study the effect of air velocity (15,18, 20 m/s) and feed rate (33, 35, 38 kg/h) on the amount of material collected in the underflow and overflow, and the composition of these fractions was characterized. Sieving showed a pronounced segregation of ash content, from 4.5% to 6.5% in wheat middlings fractions, with 5.7% being the lowest for coarse fractions which has higher lignocellulose content, and 4.5% in the fine fraction (150-212 µm). The same defined enrichment was observed in all nutrients except for protein. Starch enrichment zone were defined in the fine fractions (212 µm and below), for structural carbohydrates and lignin in the coarse fractions (600 µm and above), and for ash in coarse fractions (1180-1651 µm). In contrast, protein content was not significantly different between various fractions (p value=0.787). The fiber rich fraction (> 600 µm), suitable for pyrolysis, which have a composite ash value of 6.0% can be sorted and mixed with intermediate fractions to reduce ash to 5.3% and the remaining fractions rich in digestible nutrients used for animal feed formulation. Compared to sieving, cyclone separations did not …
Feasibility Of Upcycling Spent Lithium-Ion Battery To Carbon Dioxide Capture Adsorbent, Chimezie Frank Onwudinjo
Feasibility Of Upcycling Spent Lithium-Ion Battery To Carbon Dioxide Capture Adsorbent, Chimezie Frank Onwudinjo
Master’s Theses
This study investigates the feasibility of repurposing spent lithium-ion battery (SLIB) to lithium orthosilicate (Li4SiO4), a high temperature carbon dioxide sorbent. Two synthesis pathways including conventional acid-leaching method (Scenario 1) and a pyrolysis-based route (Scenario 2) were explored. Additionally, techno-economic analysis (TEA) and lifecycle assessment (LCA) of the two processes were also performed. Different analytical characterization techniques were performed to understand the material properties of Li4SiO4 including surface area, crystallinity, morphology and thermal stability. CO2 capture performance of the synthesized Li4SiO4 was tested in a thermogravimetric analyzer (TGA) using …
Discovering Naturally Occurring Antifreeze Peptides From Microbiome By Integrating Protein Language Models And Molecular Dynamics Simulation, Ibrahim A. Imam, Trevor Morey, Yuexu Jiang, Duolin Wang, Dong Xu, Qing Shao
Discovering Naturally Occurring Antifreeze Peptides From Microbiome By Integrating Protein Language Models And Molecular Dynamics Simulation, Ibrahim A. Imam, Trevor Morey, Yuexu Jiang, Duolin Wang, Dong Xu, Qing Shao
Chemical and Materials Engineering Faculty Publications
Antifreeze peptides inhibit ice crystal growth and recrystallization, and are promising components of cryoprotective formulations for cell, tissue, and food preservation, as well as anti-icing surface coatings. However, the discovery of new antifreeze peptides has been hindered by their sequence diversity and the limited scalability of experimental screening. In this study, we identify novel antifreeze peptide candidates from a microbiome-derived sequence library using ensemble machine learning and molecular dynamics (MD) simulations. We developed an ensemble classifier composed of 10 adapter-tuned protein-language models and a random forest meta-learner. After training on a curated dataset of 73 766 sequences, we applied this …
Effect Of Protective Mutation On Structure And Dynamics Of Apoe: A Molecular Dynamics Simulation Study, Newton A. Ihoeghian, Usman L. Abass, Ibrahim A. Imam, Qing Shao
Effect Of Protective Mutation On Structure And Dynamics Of Apoe: A Molecular Dynamics Simulation Study, Newton A. Ihoeghian, Usman L. Abass, Ibrahim A. Imam, Qing Shao
Chemical and Materials Engineering Faculty Publications
Apolipoprotein E (APOE) plays a significant role in determining the risk of Alzheimer’s disease (AD). Three mutations—APOE3–R136S, APOE3–V236E, and APOE4–R251G—have been reported to reduce the risk of AD. Unveiling the molecular mechanism behind this reduction could lay a foundation for developing therapeutics for AD. To shed light on this subject, we investigate the mutation-induced variation in structural and dynamic properties of APOE3–R136S, APOE3–V236E, and APOE4–R251G in explicit solvent using molecular dynamics simulations. The APOE2, APOE3, and APOE4 were used as the reference. The analysis unveiled that the three protective mutations may exert protection through different mechanisms. The R215G mutation makes …
Tiny Plastic, Big Trouble: How Polystyrene Nanoparticles Impact Dna-Damage Repair Deficient Cervical Cancer Cells, Jordan D. Berezowitz, Mira C. Fish, Lauren E. Mehanna, Breanna Knicely, Claire E. Rowlands, Eva M. Goellner, Brittany E. Givens
Tiny Plastic, Big Trouble: How Polystyrene Nanoparticles Impact Dna-Damage Repair Deficient Cervical Cancer Cells, Jordan D. Berezowitz, Mira C. Fish, Lauren E. Mehanna, Breanna Knicely, Claire E. Rowlands, Eva M. Goellner, Brittany E. Givens
Chemical and Materials Engineering Faculty Publications
Microplastics are becoming increasingly abundant waste products; therefore, the risk of human exposure is also increasing. The cytotoxic consequences of microplastic exposure, particularly in cancer, have yet to be explored. We obtained commercially available polystyrene nanoparticles of uniform size (86.61 ± 6.41 nm) and confirmed the chemical composition and shape using Fourier transform infrared spectroscopy (FTIR) and scanning electron microscopy (SEM), respectively. We evaluated colloidal stability over a range of concentrations from 1–1000 µg mL−1 using hydrodynamic diameter and zeta potential, determining that higher concentrations exhibit greater colloidal stability compared to lower concentrations. Specifically, the zeta potential increased from …
Novel Methods For Environmental Fluoride Measurement, Cable Warren
Novel Methods For Environmental Fluoride Measurement, Cable Warren
Chemistry & Biochemistry Dissertations
Fluoride analysis has been an important focus of analytical analysis for many years and will continue to be so going forward. Today, fluorinated compounds, specifically per/polyfluoroalkyl substances (PFAS), better known as “forever chemicals” have captured the moment and are the subject of vast research and regulation. Under this context, I have researched new methods of fluoride separation and concentration in complex media as well as a novel method of PFAS destruction and total organic fluorine analysis for screening of PFAS in aqueous samples. Through research and work on micro-scale detection methods, an understanding of the state of the art and …
Dynamics Of Single-Walled Carbon Nanotubes In Structured Complex Fluids, Sepehr Yari
Dynamics Of Single-Walled Carbon Nanotubes In Structured Complex Fluids, Sepehr Yari
Open Access Master's Theses
Cancer survival depends strongly on the stage at which the disease is detected, motivating the development of biosensors capable of identifying early changes in cellular state. Single-walled carbon nanotubes (SWCNTs) are promising intracellular biosensors because their intrinsic near-infrared fluorescence, photostability, and tunable surface chemistry and lenght enable prolonged measurements in living cells. Disease such as cancer can progress and alter intracellular physical properties, suggesting that SWCNT motion may provide a physical readout of changes in cellular state. Interpreting this motion is challenging, however, because the cytoplasm is structurally heterogeneous and contains both passive fluctuations and active transport processes. As a …
Catalytic Hydropyrolysis Of Beetle Killed Trees For The Production Of Transportation Biofuels, Oluwanisola Makinde, Fernando L.P. Resende, Michael Asama, Demian F. Gomez
Catalytic Hydropyrolysis Of Beetle Killed Trees For The Production Of Transportation Biofuels, Oluwanisola Makinde, Fernando L.P. Resende, Michael Asama, Demian F. Gomez
Jasper Department of Chemical Engineering Faculty Publications and Presentations
We conducted catalytic hydropyrolysis of beetle-killed trees: Pine, Ash tree, and Redbay in a micro-pyrolyzer (Py/GC–MS) and investigated the performance of heterogeneous catalysts like HZSM-5, NiMo-HZSM- 5, and NiRe-HZSM- 5. We also investigated the effects of temperature, catalyst-to- biomass ratio, and hydrogen pressure on product yield. Our findings reveal that aromatic yields increase with temperature and catalyst-to- biomass ratio but decline at higher hydrogen pressures; additionally, higher catalyst acidity enhances both total hydrocarbon production and selectivity toward C7–C8 aromatics, with each feedstock exhibiting distinct optimal conditions. The type of metal doped on the HZSM-5 zeolite plays an important role in …
Optimization Of Carbon Capture And Sequestration In The Tri-State Hub West Virginia, Ohio, And Pennsylvania, Saif Abdullah Saif Al-Nabhani
Optimization Of Carbon Capture And Sequestration In The Tri-State Hub West Virginia, Ohio, And Pennsylvania, Saif Abdullah Saif Al-Nabhani
Graduate Theses, Dissertations, and Problem Reports (ETD)
Carbon Capture and sequestration (CCS) is a critical way for the decarbonization of power and industrial sectors. The Tri-State area between West Virgina, Ohio and Pennsylvania are a diverse region with various CO₂ sources, deep saline, depleted reservoirs, pipeline network, and the midstream infrastructure that makes it possible for Captured CO₂ to be safely and economically moved and stored over long periods of time. This project addresses the need for an integrated optimization framework that includes CO₂ sources to potential storing sites using a transportation network design and a subsurface model that secures storage and minimizes leakage risk.
The model …
Deep Learning Approaches For Voltammetric Analysis Of Coffee, Ryan Koes
Deep Learning Approaches For Voltammetric Analysis Of Coffee, Ryan Koes
Honors Theses
This thesis investigates deep learning approaches for voltammetric analysis of brewed coffee using a low-cost electrochemical system and screen-printed electrodes (SPEs). Traditional analytical methods, such as high-performance liquid chromatography (HPLC) and gas chromatography-mass spectrometry (GC-MS), provide precise quantification of key compounds but require expensive instrumentation and specialized expertise, limiting accessibility. While SPEs offer a more accessible alternative, they yielded poor results with traditional processing; however, when combined with a neural network, the system proved more effective. In experiments with 132 coffee samples, mean errors for caffeine, CGA, and TDS predictions were 52.98 ppm, 70.48 ppm, and 0.08%, respectively. These findings …