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Full-Text Articles in Engineering

Exploring Modalities Of Productivity And Critical Quality Attributes In Fed-Batch Chinese Hamster Ovary Cell Cultures, Stephanie Klaubert Dec 2023

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; …


Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio Dec 2023

Computationally-Driven Insights Into The Ligand Environments Of Materials For Catalysis And Separations, Stephen Vicchio

All Dissertations

Designing new catalytic and sorption materials is necessary to limit global temperature rise below 1.5 ◦C by 2050, while also meeting global energy demands. Climate change and energy production are not mutually exclusive; global population growth has direct impacts on global energy demands and climate. In both catalysis and adsorption applications, new technologies are needed to address these challenges. Catalysis can provide alternate, low-energy routes for converting low-value gases into higher-value chemical commodities, thus altering our current energy production. Likewise, new sorption materials can capture previously emitted CO2 from decades of energy production from fossil fuels, thus helping to …


Improving Lignin Recovery From Paper Mill And Biorefinery Waste Streams Via Liquid-Phase Splitting, Carter Fitzgerald Aug 2023

Improving Lignin Recovery From Paper Mill And Biorefinery Waste Streams Via Liquid-Phase Splitting, Carter Fitzgerald

All Dissertations

Lignin is an abundant biopolymer with significant promise due to its aromaticity. It has been targeted as a replacement for a number of petroleum-based products including adhesives, coatings, polyurethane foams, activated carbon, and carbon fibers. However, commercially available bulk lignins are too polydisperse, and contain too many residual metals from the pulping process that are detrimental to the properties of the final product.

The Sequential Liquid-lignin Recovery and Purification (SLRP) process was developed by Michael Lake and John Blackburn, in collaboration with Clemson, with the intention of creating a continuous method for recovering lignin from paper-mill black liquors. Thies and …


Protein A And Multimodal Anion-Exchange Membrane Adsorbers For Downstream Purification Of Therapeutic Biomolecules, Joshua Osuofa Aug 2023

Protein A And Multimodal Anion-Exchange Membrane Adsorbers For Downstream Purification Of Therapeutic Biomolecules, Joshua Osuofa

All Dissertations

This dissertation explores development and characterization of membrane chromatography tools for downstream purification of therapeutic biomolecules. Convective technologies, particularly membrane chromatography, are emerging in the field of bioseparations as an alternative to resin chromatography due to their improved throughput capability. On the forefront of emerging membrane technologies are multimodal and Protein A membrane adsorbers. The overarching theme of this dissertation research was to investigate advances in these membrane chromatography tools. The primary objective was to develop and characterize novel Protein A membrane adsorbers. A secondary objective was to characterize newly commercialized Protein A and multimodal anion exchange membrane adsorbers.

Two …


Multiscale Modeling And Gaussian Process Regression For Applications In Composite Materials, Joshua Arp Aug 2023

Multiscale Modeling And Gaussian Process Regression For Applications In Composite Materials, Joshua Arp

All Dissertations

An ongoing challenge in advanced materials design is the development of accurate multiscale models that consider uncertainty while establishing a link between knowledge or information about constituent materials to overall composite properties. Successful models can accurately predict composite properties, reducing the high financial and labor costs associated with experimental determination and accelerating material innovation. Whereas early pioneers in micromechanics developed simplistic theoretical models to map these relationships, modern advances in computer technology have enabled detailed simulators capable of accurately predicting complex and multiscale phenomena.

This work advances domain knowledge via two means: firstly, through the development of high-fidelity, physics-based finite …


Characterization Of Mechanically Recycled Polylactic Acid (Pla) Filament For 3d-Printing By Evaluating Mechanical, Thermal, And Chemical Properties And Process Performance, Mahsa Shabani Samghabady Aug 2023

Characterization Of Mechanically Recycled Polylactic Acid (Pla) Filament For 3d-Printing By Evaluating Mechanical, Thermal, And Chemical Properties And Process Performance, Mahsa Shabani Samghabady

All Theses

Polylactic acid (PLA) is a biopolymer made from renewable resources such as sugar and corn. PLA filament is a popular material used in Fused Deposition Modeling (FDM) 3D-printing. While this material has many advantages, all the failed parts, support structures, rafts, nozzle tests, and the many prototype iterations during the 3D-printing process contribute to the plastic pollution and release of greenhouse gases. Although PLA is biodegradable, it can take years to degrade in landfills. Instead of throwing away PLA waste and buying new filaments, PLA can be recycled. Amongst the different recycling technologies, mechanical recycling is the most environmentally friendly. …


Characterizing The Influence Of The Moc Support For The Pt Single Atom Catalyst For The Water Gas Shift Reaction, Kathryn Mcgee May 2023

Characterizing The Influence Of The Moc Support For The Pt Single Atom Catalyst For The Water Gas Shift Reaction, Kathryn Mcgee

Honors College Theses

In this report, we looked at characterizing the effect of the support (MoC) for the water gas shift (WGS) environment. The single-atom catalyst analyzed was platinum supported in molybdenum carbide. The primary focus of this report was CO* because of the strong interest in using the WGS reaction to convert CO* contamination. All calculations were performed using the density functional theory (DFT) method. We analyzed the binding energies for the different adsorbates, with a special emphasis on CO and charges of the support. We compared our results to Pt/Al2O3 support. We observed that the support, specifically MoC …


Characterization Of Lignin And Cellulose Biopolymers Structure – Function Relationships, Zachariah Pittman May 2023

Characterization Of Lignin And Cellulose Biopolymers Structure – Function Relationships, Zachariah Pittman

All Dissertations

Biomass is vital to ongoing efforts to secure a sustainable future. While many of our efforts focus on finding alternative forms of energy, biomass among them, only biomass has the potential to serve as a sustainable materials feedstock. However, biomass is heterogenous, complicating the upgrading processes needed to manufacture commodity and performance products. For example, plant biomass consists largely of cellulose, a crystalline polysaccharide, and lignin, a highly stable polyaromatic. The specific properties of cellulose and lignin depend greatly on the plant, harvesting conditions, and isolation procedures. Thus, accurate and reliable determination of the fundamental properties of biomass is crucial …


Elucidating The Mechanical And Transport Properties Of Lignin-Based Hydrogel Composites, Nicholas Gregorich May 2023

Elucidating The Mechanical And Transport Properties Of Lignin-Based Hydrogel Composites, Nicholas Gregorich

All Dissertations

The use of lignin in the fabrication of soft composites has become an emerging area of research in polymer science and polymer chemistry. These lignin-based materials present numerous benefits, notably, a reduction in the use of petroleum-based precursor, improved structural benefits to otherwise soft host polymers, as well as the inherent antimicrobial and antioxidant properties of lignin, making it suitable for biomaterials. Herein, we present two chemical reaction pathways of incorporating lignin that was fractionated and cleaned using the Aqueous Lignin Purification with Hot Agents (ALPHA) process into poly(vinyl alcohol) (PVA) hydrogel composites for aqueous-based separations. By leveraging the ALPHA …


Fluorescence Multiplexing With Combination Probes For Biological And Diagnostic Applications, Madeline Mccarthy May 2023

Fluorescence Multiplexing With Combination Probes For Biological And Diagnostic Applications, Madeline Mccarthy

All Dissertations

Cancer refers to a group of diseases containing more than 200 different subtypes. Cancer is a heterogeneous disease by nature, meaning that there are differences among tumors of the same type in different patients, and there are differences among cancer cells within a single tumor of one patient. Since cancer is not a single disease, nor does it have a single cause, it proves to be incredibly hard to diagnose and treat. The ability to study cellular markers, cell and tissue spatial arrangement, and gene function are all integral parts of cancer diagnostic and treatment efforts.

Here, I first present …


Bridging The Gap Between Phase Behavior And Processing For Renewable And Refinable Carbonaceous Precursors, Graham Tindall May 2023

Bridging The Gap Between Phase Behavior And Processing For Renewable And Refinable Carbonaceous Precursors, Graham Tindall

All Dissertations

As a category of materials, engineered carbons, specifically carbon fibers, are first-in-class for properties such as modulus, specific strength, and thermal resilience; however, the inability to directly process atomic carbon necessitates the development and optimization of carbonaceous precursors. Because the structure and properties of carbon are highly dependent on the precursors and requisite processing, numerous materials have been investigated as feedstocks for large-scale production. Although cellulose and rayon were among the first investigated, polyacrylonitrile (PAN) is the current hegemon of carbon fiber precursors. PAN feeds 90% of this market, but it is neither inexpensive nor renewable. Because a significant fraction …


Probing The Structure Of Water On Surfaces: From Water Absorption To Ice Nucleation, Jiarun Zhou May 2023

Probing The Structure Of Water On Surfaces: From Water Absorption To Ice Nucleation, Jiarun Zhou

All Dissertations

Water, essential for all life forms, is the most abundant, simple, yet mysterious molecule in the world. This molecule, consisting of only three atoms, behaves in unexpectedly different ways with the change of environment. In the past, studies of water under different conditions (temperature, pressure, on the surfaces, with confinement) have been conducted using experimental and computational methods. However, the influence of a given environment on water properties is yet to be fully understood. This dissertation studies water at complex interfaces (surfaces with various chemistry and physics properties) in both the liquid and crystalline states. Various heterogeneous systems used to …


Carbon Fibers From Bio-Based Precursors Derived From Renewable Sources, Sagar Kanhere Dec 2022

Carbon Fibers From Bio-Based Precursors Derived From Renewable Sources, Sagar Kanhere

All Dissertations

Carbon fibers have the highest strength and modulus among all known fibers and are used as reinforcements in high-performance composites [1]. Carbon fibers also have a very low density relative to metals. Therefore, carbon fibers possess ultrahigh specific strength and modulus, which make them desirable for high-performance light-weight composites. A vast majority of commercial carbon fibers are produced from PAN precursors that are expensive, which limits the use of PAN-derived carbon fibers to aerospace applications (e.g., airplanes). However, for costsensitive applications, there is a need for low-cost, moderate performance carbon fibers. Lignin is a low-cost by-product of pulping and biorefining …


Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir Dec 2022

Elucidation Of Active Site And Mechanism Of Metal Catalysts Supported In Nu-1000, Hafeera Shabbir

All Dissertations

Advances in extraction of shale oil and gas has increased the production of geographically stranded natural gas (primarily consisting of methane (C1) and ethane (C2)) that is burned on site. A potential utilization strategy for shale gas is to convert it into fuel range hydrocarbons by catalytic dehydrogenation followed by oligomerization by direct efficient catalysts. This work focuses on understanding metal cation catalysts supported on metal-organic framework (MOF) NU-1000 that will actively and selectively do this transformation under mild reaction conditions, while remaining stable to deactivation (via metal agglomeration or sintering). I built computational models validated by experimental methods to …


Development Of Enzyme-Responsive Polymersomes As A Drug Delivery System For Gm1 Gangliosidosis, Bipin Chakravarthy Paruchuri Dec 2022

Development Of Enzyme-Responsive Polymersomes As A Drug Delivery System For Gm1 Gangliosidosis, Bipin Chakravarthy Paruchuri

All Dissertations

GM1 gangliosidosis is a lysosomal storage disorder caused by deficiency of β-galactosidase (βgal) and subsequent accumulation of GM1 ganglioside in lysosomes. The rare nature of this disorder presents challenges with prognosis and treatment. Enzyme replacement therapy (ERT) can effectively treat systemic deficiencies, but the intravenously administered enzyme cannot cross the blood-brain barrier (BBB) to treat the central nervous system. A delivery system to encapsulate and deliver the enzyme can facilitate enzyme transport across the BBB with suitable surface modifications. One of the pathological aspects of GM1-affected cells is the upregulation of the lysosomal enzyme hexosaminidase A (HexA). In this dissertation, …


Profiling And Engineering The Unfolded Protein Response In Therapeutic Protein-Producing Cho Cell Lines, Dyllan Rives Dec 2022

Profiling And Engineering The Unfolded Protein Response In Therapeutic Protein-Producing Cho Cell Lines, Dyllan Rives

All Dissertations

Industrial Chinese hamster ovary (CHO) production of therapeutics requires cell lines with high secretory capacity to avoid an accumulation of improperly folded proteins, or endoplasmic reticulum (ER) stress. This presents a challenging engineering bottleneck. The unfolded protein response (UPR) is initiated to overcome ER stress and reestablish homeostasis. In this dissertation, the impacts of ER stress and the UPR on protein production in mammalian cells are detailed, and both selection- and rational-based strategies for enhancing the ER stress response in productive CHO cell lines are reviewed. This project aims to expand on recent research efforts for engineering ER stress-related responses …


Metabolic Engineering Of Yarrowia Lipolytica For Enhanced Peroxisomal Production Of Polyhydroxyalkanoates, Michael Spagnuolo Dec 2022

Metabolic Engineering Of Yarrowia Lipolytica For Enhanced Peroxisomal Production Of Polyhydroxyalkanoates, Michael Spagnuolo

All Dissertations

Traditional chemical processes are made inefficient by the generation of side products and reactions that fail to reach completion. Bioprocesses, on the other hand, lose product potential due to the necessity of growing the organism required to produce the desired compounds. The field of metabolic engineering often seeks to alter this balance between product formation and cell growth to generate more product from the same quantity of feed (reagent). In addition to balance, such organisms may also be engineered to produce the desired products from nontraditional substrates, such as waste compounds. In resource-poor environments, the ability to produce a wanted …


Development Of A New Affinity Membrane For Rapidly Purifying Non-Antibody Proteins, Friendship Edioma Aug 2022

Development Of A New Affinity Membrane For Rapidly Purifying Non-Antibody Proteins, Friendship Edioma

All Theses

This thesis project describes the modification and evaluation of a new affinity membrane for rapid chromatographic purification of non-antibody proteins. The affinity membrane utilizes Im7/CL7 coupling technology developed by Dr. Vassylyev's lab at the University of Alabama Birmingham (UAB), licensed by TriAltus Bioscience. The behavior of the membrane was evaluated using purified CL7-tagged Cas9 as my model protein for static and dynamic binding capacity analysis.

Chapter one provides an overview on biopharmaceutical drug production process development. I discuss how protein drugs are produced, isolated, and purified from the cell supernatant after upstream phases are completed. Despite increasing demands for biologics, …


Effects Of Continuous In Situ Low-Dose Ionizing Radiation On Microorganisms, Molly E. Wintenberg May 2022

Effects Of Continuous In Situ Low-Dose Ionizing Radiation On Microorganisms, Molly E. Wintenberg

All Dissertations

Precise detection and monitoring of nuclear fuel cycle, enrichment, and weapon development activities are critical for supporting warfighter preparation in chemical, biological, radiological, nuclear, and explosives (CBRNE) operations, clandestine activities, and nuclear compliance. A biological sensing system could serve as an alternative to traditional detection methods by using organic material naturally present in the environment to discreetly detect residual trace nuclear material. Microorganisms provide an optimal platform for an alternative sensing system; however, their response to low levels of ionizing radiation is poorly characterized. Combining the power of next-generation sequencing and transcriptomic analysis, this dissertation takes an approach to obtain …


Extractive Membranes For The Detection And Screening Of Waterborne Plutonium, James Foster May 2022

Extractive Membranes For The Detection And Screening Of Waterborne Plutonium, James Foster

All Dissertations

The development of rapid screening tools for special nuclear materials remains a crucial focus for nonproliferation efforts. Traditional approaches for the analysis of trace-level Pu isotopes in water requires tedious and time-consuming sample preparation steps that do not lend well to expeditious screening. Therefore, a novel analytical method that combines both Pu concentration and source preparation into a single detection system would make for an invaluable tool for nuclear security applications. Extractive membranes absorbers can help to fulfill this role as they are capable of concentrating Pu to detectable limits while subsequently serving as alpha spectrometry sample sources. In Chapter …


Fate And Transport Of Toxoplasma Gondii Oocysts In Saturated Porous Media: Effects Of Electrolytes And Natural Organic Matter, Christian Pullano May 2022

Fate And Transport Of Toxoplasma Gondii Oocysts In Saturated Porous Media: Effects Of Electrolytes And Natural Organic Matter, Christian Pullano

All Theses

Toxoplasma gondii is a pathogenic microorganism that is currently a threat to public health. Understanding the fate and transport of T. gondii through the soil and groundwater is vital in determining the risk it poses to water resources and human health. The physico-chemical interactions between the groundwater and the bio colloid within an aquifer will dictate its mobility and its ability to infect humans. This research examines how various naturally occurring groundwater chemistries containing organic compounds and monovalent and divalent salt solutions will alter the fate and transport of T. gondii. Solutions containing various concentrations of humic acid, fulvic …


Reactive Thin Film Polymers And Thin Film Composite Membranes For The Rapid Screening Of Uranium Isotopes, Abenazer W. Darge May 2022

Reactive Thin Film Polymers And Thin Film Composite Membranes For The Rapid Screening Of Uranium Isotopes, Abenazer W. Darge

All Dissertations

Traditional radiochemistry approaches for the detection of trace-level alpha-emitting radioisotopes in water require lengthy offsite sample preparations and do not lend themselves to rapid quantification. Therefore, a novel platform is needed that combines onsite purification, concentration, and isotopic screening with a fieldable detection system. My dissertation research objective was to develop novel reactive thin polymer films and thin film composite membranes for the selective separation of uranium from environmental water followed by direct isotopic analysis by alpha spectroscopy. Chapter 1 reviews progress made on uranium separation from aqueous matrices and discusses methods used for the determination of isotopic composition.

Chapter …


Towards Understanding Protein Immobilization Rules Through Site-Specific Covalent Immobilization Of T4 Lysozyme, Maxwell Hilbert Dec 2021

Towards Understanding Protein Immobilization Rules Through Site-Specific Covalent Immobilization Of T4 Lysozyme, Maxwell Hilbert

All Dissertations

Soluble enzymes have the unique ability to assist the conversion of complex substrates in fewer steps compared to conventional chemical synthesis; however, when immobilized to a surface, the insoluble enzyme's activity and stability can suffer in its new environment. To improve upon future immobilized enzyme efficacy, a fundamental understanding of the interactions across the enzyme, linker, and surface during covalent, site-specific immobilization that can be detrimental to its activity is required. More specifically, using a well-characterized and model enzyme, T4 lysozyme (T4L), 28 different cysteine attachment points' effects on site-specifically immobilized activity are examined. Different combinations of heterobifunctional amine-to-sulfhydryl crosslinkers …


Extraction Methodologies And Physicochemical Characterizations Of Nanocellulose Isolated From Kudzu For Potential Sustainable Packaging Applications, Elliott Love Dec 2021

Extraction Methodologies And Physicochemical Characterizations Of Nanocellulose Isolated From Kudzu For Potential Sustainable Packaging Applications, Elliott Love

All Theses

Flexible packaging is an integral part of the food supply chain due to its unique thermal, mechanical, and barrier properties. The many advantages (e.g., lightweight, product protection, reduction in food waste, communication medium, etc.) come with certain drawbacks (low recyclability rate, pollution of ecosystems, etc.). Still, the heavy reliance of the food industry on these products, many of them being non-sustainable polyolefins, is unlikely to diminish in the foreseeable future. Thus, more sustainable alternatives that do not sacrifice performance (machinability, shelf-life, etc.) are needed before pollution becomes irreversible and public outcry insurmountable. Nanocellulose, especially in the form of cellulose nanocrystals …


Water Recovery From Bioreactor Mixed Liquors Using Forward Osmosis With Polyelectrolyte Draw Solutions, Calen Raulerson Dec 2021

Water Recovery From Bioreactor Mixed Liquors Using Forward Osmosis With Polyelectrolyte Draw Solutions, Calen Raulerson

All Theses

The objective of this research was to test the feasibility of using forward osmosis (FO) with polyelectrolyte draw solutions to recover water from bioreactor mixed liquors. When combined with an Anaerobic Osmotic Membrane Bioreactor (AnOMBR), such a system could process fecal and food waste from astronauts aboard the International Space Station (ISS) and reclaim important nutrients and water. This project focused on measuring the obtainable water recovery rates from bioreactor effluent, and the identifying challenges associated with the operation.

AnOMBRs feature several advantages over aerobic bioreactors, and non-osmotic anaerobic membrane bioreactors (AnMBR). Anaerobic bioreactors avoid the significant energy costs of …


Multi-Scale Assessment Of Binding Geometries And Energetics Of Aqueous Phase Reforming Of Glycerol And Methanol: Towards Realistic, Accurate, And Computationally Tractable Strategies, Tianjun Xie Dec 2019

Multi-Scale Assessment Of Binding Geometries And Energetics Of Aqueous Phase Reforming Of Glycerol And Methanol: Towards Realistic, Accurate, And Computationally Tractable Strategies, Tianjun Xie

All Dissertations

No abstract provided.


Carbon Nanotube And Cellulose Nanocrystal Hybrid Films, Mingzhe Jiang, Robert Seney, Paul Charles Bayliss, Christopher L. Kitchens Jul 2019

Carbon Nanotube And Cellulose Nanocrystal Hybrid Films, Mingzhe Jiang, Robert Seney, Paul Charles Bayliss, Christopher L. Kitchens

Publications

The use of cellulose nanocrystals (CNC) in high performance coatings is attractive for micro-scale structures or device fabrication due to the anisotropic geometry, however CNC are insulating materials. Carbon nanotubes (CNT) are also rod-shaped nanomaterials that display high mechanical strength and electrical conductivity. The hydrophobic regions of surface-modified CNC can interact with hydrophobic CNT and aid in association between the two anisotropic nanomaterials. The long-range electrostatic repulsion of CNC plays a role in forming a stable CNT and CNC mixture dispersion in water, which is integral to forming a uniform hybrid film. At concentrations favorable for film formation, the multiwalled …


First Principles-Based Microkinetic Modeling Of Ethanol From Syngas On Bimetallic Co-Pd Catalysts, Anuradha Gundamaraju Aug 2018

First Principles-Based Microkinetic Modeling Of Ethanol From Syngas On Bimetallic Co-Pd Catalysts, Anuradha Gundamaraju

All Dissertations

In the future, the availability of reliable alternative fuels will be crucial for any country to become energy independent. One such alternative is ethanol as it can be used both as a fuel and as a fuel additive. Most of the ethanol produced in the world today is derived from biomass. The biomass feedstocks and fermentation broths used in ethanol production both contain high amounts of water and therefore, the energy efficiency of the process is lessened by product separation processes (azeotropic separation of water and ethanol) that are non-trivial and highly inefficient (due to the evaporation of water). An …


Ph-Responsive Mercaptoundecanoic Acid Functionalized Gold Nanoparticles And Applications In Catalysis, Siyam M. Ansar, Saptarshi Chakraborty, Christopher L. Kitchens May 2018

Ph-Responsive Mercaptoundecanoic Acid Functionalized Gold Nanoparticles And Applications In Catalysis, Siyam M. Ansar, Saptarshi Chakraborty, Christopher L. Kitchens

Publications

Mercaptoundecanoic acid (MUA) functionalized gold nanoparticles (AuNP-MUA) were synthesized and demonstrated to possess pH-triggered aggregation and re-dispersion, as well as the capability of phase transfer between aqueous and organic phases in response to changes in pH. The pH of aggregation for AuNP-MUA is consistent with the pKa of MUA (pH ~4) in solution, while AuNP-MUA phase transition between aqueous and organic phases occurs at pH ~9. The ion pair formation between the amine group in octadecylamine (ODA), the carboxylate group in MUA, and the hydrophobic alkyl chain of ODA facilitates the phase transfer of AuNP-MUA into an organic medium. …


Role Of Surface Factors On Heterogeneous Ice Nucleation, Brittany Glatz Oct 2017

Role Of Surface Factors On Heterogeneous Ice Nucleation, Brittany Glatz

All Dissertations

Heterogeneous ice nucleation is the primary pathway for ice formation. However, the detailed molecular mechanisms by which surfaces promote or hinder ice nucleation are not well understood. We present results from extensive molecular dynamics and forward flux sampling (FFS) simulations of ice nucleation near modified surfaces. The surfaces are modified to investigate the effects of different surface factors on the rate and mechanism of ice nucleation. We find that the surface charge distribution has significant effects on ice nucleation. We also investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching …