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Polymer-Based Nanotherapeutics To Combat Difficult-To-Treat Bacterial Infections, Jessa Marie V. Makabenta 2023 University of Massachusetts Amherst

Polymer-Based Nanotherapeutics To Combat Difficult-To-Treat Bacterial Infections, Jessa Marie V. Makabenta

Doctoral Dissertations

The continuous emergence and spread of antibiotic-resistant bacteria are a global health emergency, debilitating the capability to prevent and cure various infectious diseases that were once treatable. Antibiotic therapy is further rendered ineffective due to biofilm formation and the ability of bacteria to thrive and colonize inside mammalian cells. Given the diminishing efficacy of available antibiotics combined with the scarcity of new therapeutics entering the antibiotic pipeline, innovative treatment strategies are urgently in demand. Nanomaterial-based strategies offer ‘outside of the box’ approach for the treatment of antibiotic-resistant bacterial infections. Nanomaterials feature tunable physicochemical properties that can be carefully modified to …


Reactive Chemistries For Protein Labeling, Degradation, And Stimuli Responsive Delivery, Myrat Kurbanov 2023 University of Massachusetts Amherst

Reactive Chemistries For Protein Labeling, Degradation, And Stimuli Responsive Delivery, Myrat Kurbanov

Doctoral Dissertations

Reactive chemistries for protein chemical modification play an instrumental role in chemical biology, proteomics, and therapeutics. Depending on the application, the selectivity of these modifications can range from precise modification of an amino acid sequence by genetic manipulation of protein expression machinery to a stochastic modification of lysine residues on the protein surface. Ligand-Directed (LD) chemistry is one of the few methods for targeted modification of endogenous proteins without genetic engineering. However, current LD strategies are limited by stringent amino acid selectivity. To bridge this gap, this thesis focuses on the development of highly reactive LD Triggerable Michael Acceptors (LD-TMAcs) …


Applying Density Functional Theory Simulations To Study The Charge Balancing And Structure Directing Roles Of Fluoride In Zeolite Synthesis, Tongkun Wang 2023 University of Massachusetts Amherst

Applying Density Functional Theory Simulations To Study The Charge Balancing And Structure Directing Roles Of Fluoride In Zeolite Synthesis, Tongkun Wang

Doctoral Dissertations

Zeolites represent a major cornerstone of today’s energy industry as the most-used petrochemical catalyst by weight in the world. Constituted by tetrahedra of T-atoms including Si, Al, Ge and Ti, zeolites form a huge family of nano-porous crystalline materials which also provide reliable candidates for novel, energy related applications such as efficient separations, hydrogen-purifying/storing and conversions from biomass to biofuel. However, the formation mechanism of zeolite is still not clear, as synthesis processes are complicated by requirements including structure directing agents (SDAs), hydroxide or fluoride medium, and experimental conditions like temperature. Attempts for designing new zeolite structures still fall in …


Binding Interactions Of Biologically Relevant Molecules Studied Using Surface-Modified And Nanostructured Surfaces, Palak Sondhi 2023 University of Missouri–St. Louis

Binding Interactions Of Biologically Relevant Molecules Studied Using Surface-Modified And Nanostructured Surfaces, Palak Sondhi

Dissertations

This research focuses on the field of surface nanobioscience, wherein different nanosurfaces that will be used as working electrodes in the electrochemical cell are manufactured and surface modified to understand the critical binding interactions between biologically significant molecules like proteins, carbohydrates, small drug molecules, and glycoproteins. This research is essential if we are to determine whether a synthetic molecule can serve as a therapeutic candidate or diagnose a disease in its early stages. In order to fully understand the binding interactions, the study begins with defining some of the fundamental concepts, principles, and analytical tools for biosensing.

Afterwards, we addressed …


Electrochemical Degradation Of Methylene Blue With Seawater And Pb/Pbo2 Electrodes From Battery Waste, Gunawan Gunawan, N. B. Adiwibawa Prasetya, Didik Setiyo Widodo, Roni Adi Wijaya 2023 Department of Chemistry, Faculty of Science and Mathematics, Diponegoro University, Semarang, Indonesia.

Electrochemical Degradation Of Methylene Blue With Seawater And Pb/Pbo2 Electrodes From Battery Waste, Gunawan Gunawan, N. B. Adiwibawa Prasetya, Didik Setiyo Widodo, Roni Adi Wijaya

Karbala International Journal of Modern Science

Electrochemical degradation of methylene blue (MB) dye with seawater electrolyte using lead and lead oxide (Pb/PbO2) electrodes from waste batteries has been successfully conducted. Characterization of battery waste, the effectiveness of dye degradation, sodium hypochlorite (NaOCl) concentration, dissolved oxygen (DO) level, reaction mechanism, the effect of time variation (15, 30, 45, and 60 minutes), and voltage variation (0, 1, 2, 3, 4, and 5 volts) were observed. Characterization showed results by the characteristics of Pb and PbO2 confirmed by X-ray diffractometer (XRD) result-ing in 2θ peaks of Pb at 31.36, 36.38, 52.26, 62.36, 65.38º and 2θ (β-PbO2) at 25.4, 32.0, …


A Computational Approach For Mapping Electrochemical Activity Of Multi-Principal Element Alloys, Jodie A. Yuwono, Xinyu Li, Tyler D. Dolezal, Adib J. Samin, Javen Qinfeng Shi, Zhipeng Li, Nick Birbilis 2023 University of Adelaide

A Computational Approach For Mapping Electrochemical Activity Of Multi-Principal Element Alloys, Jodie A. Yuwono, Xinyu Li, Tyler D. Dolezal, Adib J. Samin, Javen Qinfeng Shi, Zhipeng Li, Nick Birbilis

Faculty Publications

Multi principal element alloys (MPEAs) comprise an atypical class of metal alloys. MPEAs have been demonstrated to possess several exceptional properties, including, as most relevant to the present study a high corrosion resistance. In the context of MPEA design, the vast number of potential alloying elements and the staggering number of elemental combinations favours a computational alloy design approach. In order to computationally assess the prospective corrosion performance of MPEA, an approach was developed in this study. A density functional theory (DFT) – based Monte Carlo method was used for the development of MPEA ‘structure’; with the AlCrTiV alloy used …


Hydroxyapatite-Based Coatings On Silicon Wafers And Printed Zirconia, Antoine Chauvin 2023 University of Nebraska-Lincoln

Hydroxyapatite-Based Coatings On Silicon Wafers And Printed Zirconia, Antoine Chauvin

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

Dental surgery needs a naturally attract implant design that can ensure both osseointegration and soft tissue integration. Hydroxyapatite (HAp), the main mineral constituent of dentine and tooth enamel, is commonly used as a coating component, notably for overlaying titanium– or ceramics–based implants. This thesis aims to investigate the behavior of a HAp-based coating, specifically designed to be compatible with a porous substrate. Coating layers are made by sol–gel dip coating by immersion of porous substrates made by additive manufacturing into solutions of HAp, having been mixed with polyethyleneimine (PEI), to improve the adhesion of HAp on the substrate. First, the …


Research Progress And Performance Improvement Strategies Of Hard Carbon Anode Materials For Sodium-Ion Batteries, Xiu-Ping Yin, Yu-Feng Zhao, Jiu-Jun Zhang 2023 School of Science, Shanghai University, Shanghai 200444, China

Research Progress And Performance Improvement Strategies Of Hard Carbon Anode Materials For Sodium-Ion Batteries, Xiu-Ping Yin, Yu-Feng Zhao, Jiu-Jun Zhang

Journal of Electrochemistry

This paper systematically summarizes the research progress of hard carbon anode materials in sodium ion batteries(SIBs) and the development of the corresponding sodium storage mechanism in recent years, and reviews the performance improvement strategies of hard carbon materials from the aspects of structural design and electrolyte regulation. The effects of the selection of precursors, carbonization temperature, pretreatment, pore formers, heteroatom doping, material compounding, electrolyte regulation and pre-sodiumization on the sodium storage performance of hard carbon anode materials are briefly described. This paper provides new insights into the design, synthesis and electrolyte
matching of high-performance and low-cost hard carbon materials, and …


Charge-Dependence Of Dissolution/Deposition Energy Barrier On Cu(111) Electrode Surface By Multiscale Simulations, Hang Qiao, Yong Zhu, Sheng Sun, Tong-Yi Zhang 2023 Materials Genome Institute, Shanghai University, 200444 Shanghai, China

Charge-Dependence Of Dissolution/Deposition Energy Barrier On Cu(111) Electrode Surface By Multiscale Simulations, Hang Qiao, Yong Zhu, Sheng Sun, Tong-Yi Zhang

Journal of Electrochemistry

Behaviors of electrified interface under different applied potentials/charges play the central role in electroplating process and electrochemical corrosion. The mechanism, however, is unclear yet for a surface atom dissolving/depositing from/on an electrode surface under an applied potential. The energy barrier along the reaction path is the key variable. The present work conductes hybrid first-principle/hybrid calculations to study the direct and indirect dissolution/deposition of a Cu atom on perfect/stepped Cu(111) planar electrodes in an electrolyte under different excess charges. Energy profiles present a linear relationship between the energies of the initial/final state and the activation state of different reaction paths under …


Surface Modifications Of Lini0.96Co0.02Mn0.02O2 With Tungsten Oxide And Phosphotungstic Acid, Gang Zhao, Zheng-Liang Gong, Yi-Xiao Li, Yong Yang 2023 College of Energy, Xiamen University, Xiamen 361005, Fujian, China

Surface Modifications Of Lini0.96Co0.02Mn0.02O2 With Tungsten Oxide And Phosphotungstic Acid, Gang Zhao, Zheng-Liang Gong, Yi-Xiao Li, Yong Yang

Journal of Electrochemistry

With the rapid development of electric vehicles, enormous demands are made for higher energy density, better cycling performance and lower cost of lithium-ion batteries (LIBs). As an important high capacity cathode material for LIBs, the high nickel layered oxide material LiNi0.8Co0.1Mn0.1O2(NCM811) can reach an energy density of 760 Wh·kg-1. The ultra-high nickel ternary positive electrode material (LiNi1-x-yCoxMnyO2, x ≥ 0.90) has a specific capacity of more than 210 mAh·g-1, and can realize higher energy density. Besides, an ultra-high nickel material …


Preparation And Electrocatalytic Performance Of Feni-Cop/Nc Bifunctional Catalyst, Si-Miao Liu, Jing-Jiao Zhou, Shi-Jun Ji, Zhong-Sheng Wen 2023 Coellece of Transportation Engineering, Dalian Maritime University, Dalian, Liaoning, 361005, China

Preparation And Electrocatalytic Performance Of Feni-Cop/Nc Bifunctional Catalyst, Si-Miao Liu, Jing-Jiao Zhou, Shi-Jun Ji, Zhong-Sheng Wen

Journal of Electrochemistry

Rechargeable zinc-air batteries have gradually attracted much attention worldwide due to their high capacity, high energy density and low price. Oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) correspond to the charging and discharging processes in rechargeable zinc-air battery, respectively. At present, commercial Pt/C and IrO2 catalysts hinder the large-scale application of zinc-air batteries due to low reserves, high prices and poor stability. Therefore, exploring high performance, low cost and high stability with dual functional catalysts is important for the development of rechargeable zinc-Air batteries. The metal-organic frameworks (MOFs) have high specific surface area, structural stability, good catalytic …


Experimental And Simulation Study Of Reactive Silver Ink Droplet Evaporation, Weipeng Zhang 2023 Western University

Experimental And Simulation Study Of Reactive Silver Ink Droplet Evaporation, Weipeng Zhang

Electronic Thesis and Dissertation Repository

The evaporation of particle-free silver ink droplets on heated substrates directly impacts the morphology of the resultant silver particles and films. In this thesis, COMSOL Multiphysics simulations of the solvent (water-ethylene glycol mixture) droplet evaporation process are used to explain the microflows, mass transfers, and heat distribution responsible for the experimental observations. The reactive ink incorporates fluoro-surfactant FS-31 and poly (acrylamide) (PAM) to suppress the coffee-ring effect that negatively impacts the electrical conductivity. Experiments show that the droplet evaporation process results in varied silver particle morphology, depending on the locations within the droplet, leading to uneven surfaces. Large particles (3 …


Corrosion Of Implant Materials In The Human Body, Maedeh Barzmehri 2023 Western University

Corrosion Of Implant Materials In The Human Body, Maedeh Barzmehri

Corrosion Research

This paper extensively examines the complex problem of implant corrosion occurring within the human body. The corrosion of implants gives rise to substantial challenges, encompassing compromised implant durability, patient safety concerns, and potential adverse impacts on the long-term functionality of the medical device. The study's primary objectives include offering a concise overview of the various corrosion mechanisms that impact a range of implant materials and outlining health complications linked to the byproducts of implant corrosion. Furthermore, it delves into a cost analysis specific to hip or knee revision arthroplasty, which has become a prevalent scenario in implant failure cases on …


Corrosion Case Study On Pipeline, Kangze Ren 2023 McMaster University

Corrosion Case Study On Pipeline, Kangze Ren

Corrosion Research

The Kashagan pipeline leaks were likely caused by sulfur stress corrosion cracking, a combined corrosion mechanism developed by the presence of high pressure, the high level of hydrogen sulfide(the main "ingredient" of sour gas), and poor metallurgical choice. Improper welding and poor metallurgical examination were blamed for causing the leaking issue. The purpose of the current review is to raise the alarm about the inappropriate corrosion management of Kashagan oil production and its societal and environmental consequences.


The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. McDonald 2023 Western University

The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. Mcdonald

Corrosion Research

No abstract provided.


The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. McDonald 2023 Western University

The Impact Of Lead Corrosion Relating To The Contamination Of Drinking Water In Canada And In Indigenous Communities., Jessie A. Mcdonald

Corrosion Research

No abstract provided.


Modulation Of Electrocatalytic Activity By Tuning Anion Electronegativity: Case Study With Copper Chalcogenides, Harish Singh, David Prendergast, Manashi Nath 2023 Missouri University of Science and Technology

Modulation Of Electrocatalytic Activity By Tuning Anion Electronegativity: Case Study With Copper Chalcogenides, Harish Singh, David Prendergast, Manashi Nath

Chemistry Faculty Research & Creative Works

Anion-tuning in metallic chalcogenides has been shown to have a significant impact on their electrocatalytic ability for overall water splitting. In this article, copper-based chalcogenides (Cu2 X, X= O, S, Se, and Te) have been systematically studied to examine the effect of decreasing anion electronegativity and increasing covalency on the electrocatalytic performance. Among the copper chalcogenides, Cu2Te has the highest oxygen evolution reaction (OER) activity and can sustain high current density of 10 and 50 mA cm−2 for 12 h. The difference in intrinsic catalytic activity of these chalcogenide surfaces have been also probed through density functional theory calculations, which …


Hydrophobicity Optimization Of Cathode Catalyst Layer For Proton Exchange Membrane Fuel Cell, Hao-Jie Chen, Mei-Hua Tang, Sheng-Li Chen 2023 Hubei Key Laboratory of Electrochemical Power Sources, Department of Chemistry, Wuhan University, Wuhan 430072, China

Hydrophobicity Optimization Of Cathode Catalyst Layer For Proton Exchange Membrane Fuel Cell, Hao-Jie Chen, Mei-Hua Tang, Sheng-Li Chen

Journal of Electrochemistry

Hydrophobicity of the cathode catalyst layers (CCLs) crucially determines the performance of proton exchange membrane fuel cells (PEMFCs) by affecting the transports of oxygen and liquid water. In this regard, polytetrafluoroethylene (PTFE) is usually used as a hydrophobic additive to facilitate the oxygen and water transports in CCLs. So far, there remains lacking systematic effort to optimize the addition methods of PTFE in CCLs and the mechanisms behind. In this work, the effects of the approaches for PTFE addition and the distribution of PTFE on the mass transport of oxygen and the proton conduction in CCLs were studied by using …


Dependence Of Heat Transfer Model On The Structure Of Electrically Coil-Heated Microelectrodes, Ju Li, Sen Yang, Jian-Jun Sun 2023 School of Henan Industry and Trade Vocational College, Zhengzhou, 451191, China;Key Laboratory of Targeting Therapy and Diagnosis for Critical Diseases, Henan Province, Key laboratory of Advanced Drug Preparation Technologies, Ministry of Education, Collaborative Innovation Center of New Drug Research and Safety Evaluation, School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, 450001, China

Dependence Of Heat Transfer Model On The Structure Of Electrically Coil-Heated Microelectrodes, Ju Li, Sen Yang, Jian-Jun Sun

Journal of Electrochemistry

Electrically heated microelectrodes have gained much attention in electroanalytical chemistry in recent years. It has been shown that the promotion of mass transport and reaction kinetics at high-temperatures often results in increased current signals. However, there is no study about the heat transfer inner the microelectrodes which is necessary for the design and operation for microsensors. This report introduces a finite element software (COMSOL) to analyze the factors that influence the surface temperature (Ts), which is crucial for the heating ability of micro-disk electrodes with coils. Distances between the electrode surface and the bottom of the heated copper …


Asymmetric Electrode-Electrolyte Interfaces For High-Performance Rechargeable Lithium-Sulfur Batteries, Jia Chou, Ya-Hui Wang, Wen-Peng Wang, Sen Xin, Yu-Guo Guo 2023 CAS Key Laboratory of Molecular Nanostructure and Nanotechnology, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences (CAS), Beijing 100190, China; University of Chinese Academy of Sciences, Beijing 100049, China

Asymmetric Electrode-Electrolyte Interfaces For High-Performance Rechargeable Lithium-Sulfur Batteries, Jia Chou, Ya-Hui Wang, Wen-Peng Wang, Sen Xin, Yu-Guo Guo

Journal of Electrochemistry

With a high cell-level specific energy and a low cost, lithium-sulfur (Li-S) battery has been intensively studied as one of the most promising candidates for competing the next-generation energy storage campaign. Currently, the practical use of Li-S battery is hindered by the rapidly declined storage performance during battery operation, as caused by irreversible loss of electroactive sulfide species at the cathode, dendrite formation at the anode and parasitic reactions at the electrode-electrolyte interface due to unfavorable cathode-anode crosstalk. In this perspective, we propose to stabilize the Li-S electrochemistry, and improve the storage performance of battery by designing asymmetric electrode-electrolyte interfaces …


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