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Full-Text Articles in Physical Sciences and Mathematics

Atom Economical Reactions Of Terpenoids And Post-Consumer Plastics With Sulfur, Charini Maladeniya Aug 2023

Atom Economical Reactions Of Terpenoids And Post-Consumer Plastics With Sulfur, Charini Maladeniya

All Dissertations

The production of Ordinary Portland Cement (OPC) and its uses have a complicated environmental impact, which is influenced by infrastructure development and building operations as well as CO2 emissions, which account for 7% of all worldwide CO2 emissions. Due to the increasing population, production is still ongoing. The search for cement and construction materials produced with zero to low CO2 emissions is therefore continuous. Finding recyclable, CO2 gas-free biocomposites with high sulfur content that can rival the mechanical properties of popular building supplies like Portland cement is the primary objective of the research discussed in this …

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Expression And Purification Of Polyketide Synthase Domains To Investigate Protein-Protein Interactions In Polyketide Biosynthetic Pathways, Mujeeb Adeyinka Wakeel Aug 2023

Expression And Purification Of Polyketide Synthase Domains To Investigate Protein-Protein Interactions In Polyketide Biosynthetic Pathways, Mujeeb Adeyinka Wakeel

Masters Theses

Polyketide synthases (PKSs) are multienzyme proteins catalyzing the production of the polyketide class of natural products with vast structural diversity. Type II PKSs catalyze polyketide biosynthesis using discrete (standalone) enzymes (domains), while type I PKSs use covalently linked enzymes arranged in a module to catalyze polyketide production. It is hypothesized that type II PKSs are the precursors to type I PKSs, proposing that the genes encoding individual discrete enzymes in type II PKSs fused to give the multienzyme modules of type I PKSs. We reasoned that the intramolecular-like reactions occurring in type I PKS modules might be a driving force …

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Atomically Dispersed Cu-N3 On Hollow Spherical Carbon Nitride For Acetaminophen Degradation: Generation Of 1o2 From H2o2, Shuoyuan Tian, Yu Yin, Mengxuan Liu, Lei Shi, Shu Zhang, Abdul Hannan Asif, Xuan Li, Mengqiong Liu, Xiaoguang Duan, Shaobin Wang, Hongqi Sun Aug 2023

Atomically Dispersed Cu-N3 On Hollow Spherical Carbon Nitride For Acetaminophen Degradation: Generation Of 1o2 From H2o2, Shuoyuan Tian, Yu Yin, Mengxuan Liu, Lei Shi, Shu Zhang, Abdul Hannan Asif, Xuan Li, Mengqiong Liu, Xiaoguang Duan, Shaobin Wang, Hongqi Sun

Research outputs 2022 to 2026

Discharge of recalcitrant pharmaceuticals into aquatic systems has caused severe impacts on public health and ecosystem. Advanced oxidation processes (AOPs) are effective for eliminating these refractory pollutants, for which single-atom catalysts (SACs) become the state-of-the-art materials owing to the maximized exposure of active metal sites. In this work, hollow spherical graphitic carbon nitride (hsCN) was fabricated to incorporate copper species to develop Fenton-like catalysts for acetaminophen (ACT) removal. Through pyrolysis of supramolecular assemblies derived from melamine-Cu complex and cyanuric acid, single atom Cu-N3 sites were anchored on hsCN by N-coordination to obtain SACu-hsCN. In virtue …

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Dual Ni/Co-Hemin Metal-Organic Framework-Prgo For High-Performance Asymmetric Hybrid Supercapacitor, Kimia Zarean Mousaabadi, Ali A. Ensafi, Erfan Naghsh, Jin-Song Hu, Behzad Rezaei Aug 2023

Dual Ni/Co-Hemin Metal-Organic Framework-Prgo For High-Performance Asymmetric Hybrid Supercapacitor, Kimia Zarean Mousaabadi, Ali A. Ensafi, Erfan Naghsh, Jin-Song Hu, Behzad Rezaei

Chemistry & Biochemistry Faculty Publications and Presentations

In this study, we conducted direct synthesis of a dual metal–organic framework (Ni/Co-Hemin MOF) on phosphorous-doped reduced graphene oxide (PrGO) to serve as an active material in high-performance asymmetrical supercapacitors. The nanocomposite was utilized as an active material in supercapacitors, exhibiting a noteworthy specific capacitance of 963 C g−1 at 1.0 A g−1, along with a high rate capability of 68.3% upon increasing the current density by 20 times, and superior cycling stability. Our comprehensive characterization and control experiments indicated that the improved performance can be attributed to the combined effect of the dual MOF and the …

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Functional Nanocomposite Coatings For Use In Food Packaging, Camden N. Webb Aug 2023

Functional Nanocomposite Coatings For Use In Food Packaging, Camden N. Webb

Master's Theses

Plastics are a class of materials known for their cost and property advantages, increasing significantly in their usage worldwide. Unfortunately, these benefits come with an increasingly concerning environmental impact. A combination of inadequate disposal options and combinations of materials have led to environmental disasters that will impact generations. One of the worst areas for plastic waste is food packaging. Plastic as a material generally excels at durability and longevity, but as food packaging, it outlives its intended purpose by several orders of magnitude. This leads to plastic food packaging materials sitting in landfill or leading to the environment for hundreds …

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On The Chemistry Of Aqueous Ammonium Acetate Droplets During Native Electrospray Ionization Mass Spectrometry, Lars Konermann, Zeyuan Liu, Yousef Haidar, Methew J. Willians, Nicholas A. Bainbridge Aug 2023

On The Chemistry Of Aqueous Ammonium Acetate Droplets During Native Electrospray Ionization Mass Spectrometry, Lars Konermann, Zeyuan Liu, Yousef Haidar, Methew J. Willians, Nicholas A. Bainbridge

Chemistry Publications

Ammonium acetate (NH4Ac) is a widely used solvent additive in native electrospray ionization (ESI) mass spectrometry. NH4Ac can undergo proton transfer to form ammonia and acetic acid (NH4+ + Ac- → NH3 + HAc). The volatility of these products ensures that electrosprayed ions are free of undesired adducts. NH4Ac dissolution in water yields pH 7, providing “physiological” conditions. However, NH4Ac is not a buffer at pH 7 because NH4+ and Ac- are not a conjugate acid/base pair (L. Konermann, J. Am. Soc. Mass Spectrom. 2017 …

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Resistive And Capacitive Behavior In Self-Healing Poly(Ionic Liquid) Copolymers, Jaylan Fraser-Mines Aug 2023

Resistive And Capacitive Behavior In Self-Healing Poly(Ionic Liquid) Copolymers, Jaylan Fraser-Mines

All Theses

This thesis elucidates the origin of molecular events during the damage-repair cycle in a new class of copolymers composed of ionic liquids (ILs) and acrylic-based monomers. In these studies, (1-[(2-methacryloyloxy)ethyl]-3- butylimidazolium bis(trifluoromethyl-sulfonyl)imide) (MEBIm-TFSI) was copolymerized with methyl methacrylate (MMA) and n-butyl acrylate (nBA) to form poly((1-[(2-methacryloyloxy)ethyl]-3- butylimidazolium bis(trifluoromethyl-sulfonyl)imide)-co-methyl methacrylate-co-n butyl acrylate) (p(MEBIm-TFSI/MMA/nBA)) and its mechanical and electrical properties were examined. Following the introduction to this work, Chapter 1 provides an overview of the continuously growing field of ILs and focuses on the structure-property relationships between ILs and their properties as single molecules and monomers in poly(ionic liquid)s (PILs). Chapter 2 …

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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. …

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Phosphatase Enzyme-Responsive Synthetic Lipids For Liposome Immolation Towards Enhanced Cargo Release, Justin Thomas Kirby Aug 2023

Phosphatase Enzyme-Responsive Synthetic Lipids For Liposome Immolation Towards Enhanced Cargo Release, Justin Thomas Kirby

Masters Theses

Liposomal nanoscale delivery vehicles have been shown to aid in the delivery of therapeutic cargo due to their ability to encapsulate and improve the pharmacokinetic properties of a range of drug molecules. However, liposome therapeutic potential could be enhanced by exerting greater control over liposome cargo delivery and release. This is being pursued by designing lipids that are able to respond to specific stimuli, particularly those overexpressed in diseased cells. In this thesis, we describe stimuli-responsive liposomes in which the enzyme alkaline phosphatase is used as the stimulus. This trigger was selected since this enzyme is overexpressed in certain cancer …

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Redox-Active Polymerization Catalysts And Their Applications, Nicholas M. Shawver Aug 2023

Redox-Active Polymerization Catalysts And Their Applications, Nicholas M. Shawver

Masters Theses

Traditional catalyst systems are reliable means to produce polymers with well-defined architectures and thermomechanical properties; however, they are often limited by a narrow monomer scope and their ability access few, if any, advanced polymer architectures. To address this limitation, a new class of catalysts have recently emerged that feature redox-active moieties that may access advanced architectures through catalyst electronic modulation that arises from redox events occurring on the ligand scaffold or at the active metal center itself. For example, researchers have explored the ability of redox-active catalysts to impart “on-off” kinetic control during ring-opening polymerizations and their ability to access …

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Leveraging Non-Covalent Interactions Between Small Organic Molecules And Inorganic Scaffolds In The Design Of Advanced Materials, Jonathan Lefton Jul 2023

Leveraging Non-Covalent Interactions Between Small Organic Molecules And Inorganic Scaffolds In The Design Of Advanced Materials, Jonathan Lefton

Chemistry Theses and Dissertations

Powder diffraction is a powerful tool for studying crystal structures, especially as it relates to interactions of small organic molecules with inorganic compounds. The first part of this dissertation involves small organic ligands interacting with metal-organic framework, MOF-74. The first and simplest iteration involves the crystal structure solution of a neat, liquid loading of n-propylmercaptan to the open metal sites within the MOF-74 pores. Later studies investigate the leveraging of a similarly sized bitopic ligand in the solution loading of 1,2-ethanedithiol, which results in the amorphization of MOF-74. Having no crystallinity, amorphous or severely defected materials can be a …

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The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen Jul 2023

The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen

Chemistry Theses and Dissertations

This thesis provides a preliminary investigation of singlet fission from the perspective of Hierarchy of pure states (HOPS), which provides a numerical exact solution for the investigation of a series of open quantum systems. Since the inception of the concept of singlet fission about half a century ago, this photo-physical process has attracted the attention of a multitude of researchers and has been extensively studied theoretically and experimentally. However, these previous methods for the investigation of singlet fission focus more or less on tackling the underlying mechanisms of singlet fission from the perspective of perturbation. So far, the HOPS method …

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The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen Jul 2023

The Investigation Of Singlet Fission From The Perspective Of Hierarchy Of Pure States (Hops), Tao (James) Chen

Chemistry Theses and Dissertations

This thesis provides a preliminary investigation of singlet fission from the perspective of Hierarchy of pure states (HOPS), which provides a numerical exact solution for the investigation of a series of open quantum systems. Since the inception of the concept of singlet fission about half a century ago, this photo-physical process has attracted the attention of a multitude of researchers and has been extensively studied theoretically and experimentally. However, these previous methods for the investigation of singlet fission focus more or less on tackling the underlying mechanisms of singlet fission from the perspective of perturbation. So far, the HOPS method …

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Elucidating The Impacts Of Learning Communities On Retention, Student Sense Of Belonging, And Self-Efficacy In Stem, Honour Williams Jul 2023

Elucidating The Impacts Of Learning Communities On Retention, Student Sense Of Belonging, And Self-Efficacy In Stem, Honour Williams

Master of Science in Chemical Sciences Theses

Student sense of belonging (SoB) and self-efficacy (SE) are necessary aspects of promoting achievement and success in the STEM fields. This study focuses on how learning communities affect students' SoB and SE in relation to STEM as well as demographics, including race, gender, and first-generation status. Students enrolled in either the introductory chemistry lecture or the first-year experience course (students grouped by similar STEM major) were asked to complete a STEM attributes survey (Likert scale) to assess their overall SoB to the university and their chosen major as well as their level of SE in relations to those fields. To …

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The Driving Effects Of Common Atmospheric Molecules For Formation Of Clusters: The Case Of Sulfuric Acid, Formic Acid, Hydrochloric Acid, Ammonia, And Dimethylamine, Olivia M. Longsworth, Conor J. Bready, George C. Shields Jul 2023

The Driving Effects Of Common Atmospheric Molecules For Formation Of Clusters: The Case Of Sulfuric Acid, Formic Acid, Hydrochloric Acid, Ammonia, And Dimethylamine, Olivia M. Longsworth, Conor J. Bready, George C. Shields

Open Access Fund Publications

One of the main sources of uncertainty for understanding global warming is understanding the formation of larger secondary aerosols. The beginning stages start with the formation of prenucleation complexes from precursor monomers of acids, bases, and organic molecules. The detailed interactions responsible for prenucleation and subsequent aerosol formation are difficult to decipher experimentally. We present a computational chemistry study of the interactions between three different acid molecules and two different bases. By combining a comprehensive search routine covering many thousands of configurations at the semiempirical level with high level quantum chemical calculations of approximately 1000 clusters for every possible combination …

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The Emergence Of Zerovalent Carbon Compounds From Structural Curiosities To Organocatalysts, Allegra L. Liberman-Martin Jul 2023

The Emergence Of Zerovalent Carbon Compounds From Structural Curiosities To Organocatalysts, Allegra L. Liberman-Martin

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

Low-valent main group compounds have reactivity patterns and properties reminiscent of transition metals. While divalent carbon compounds such as carbenes are widely studied ligands and organocatalysts, zerovalent carbon species have received considerably less attention. This perspective highlights the properties and reactivity of zerovalent carbon compounds, focusing on their first applications as organocatalysts for small molecule reduction and polymerization reactions.

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Electrochemical Hydrogen Gas Production And Carbon Dioxide Sequestration Via In Situ Formation Of Nickel (Ii) Tris-(Pyridinethiolate) Derivatives, Dayalis Sv. Brown Jul 2023

Electrochemical Hydrogen Gas Production And Carbon Dioxide Sequestration Via In Situ Formation Of Nickel (Ii) Tris-(Pyridinethiolate) Derivatives, Dayalis Sv. Brown

Dissertations and Theses

In the research presented, we use electrochemical techniques, such as cyclic voltammetry and controlled potential electrolysis, to study in situ formation of hydrogen evolution catalysts which also reduce carbon dioxide. Using pyridinethiol-based ligands and a nickel (II) precursor, both homo- and heteroleptic complexes were investigated as catalysts to produce alternative fuels while mitigating greenhouse gas emissions. Existing synthetic procedures to obtain these Ni(II) catalysts lead to low yields of the complexes and difficulties in crystallizing samples for further analysis, limiting sample size and restricting the number of studies. While current research is heavily focused on photochemically-driven experiments, given that solar …

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Watermark Hiding In Hdr Image Based On Visual Saliency And Tucker Decomposition, Roa'a M. Al-Airaji, Ibtisam A. Aljazaery, Haider Th. Salim Alrikabi Jul 2023

Watermark Hiding In Hdr Image Based On Visual Saliency And Tucker Decomposition, Roa'a M. Al-Airaji, Ibtisam A. Aljazaery, Haider Th. Salim Alrikabi

Karbala International Journal of Modern Science

Recently, great attention has been paid to high dynamic range (HDR) images because of their richly detailed and high dynamic range of intensity. The need for pre-processing of the HDR image format with tone mapping (TM) operators makes it unique; the TM operators are provided on display with a low dynamic range (LDR). On the other hand, TM can be regarded as an inevitable attack when protecting HDR image ownership is considered. An adaptive approach for concealing watermarks based on visual saliency and Tucker decomposition has been presented in this article. In the first step, three feature maps were produced …

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Recent Progress Of Bifunctional Electrocatalysts For Oxygen Electrodes In Unitized Regenerative Fuel Cells, Tian-Long Zheng, Ming-Yu Ou, Song Xu, Xin-Biao Mao, Shi-Yi Wang, Qing-Gang He Jul 2023

Recent Progress Of Bifunctional Electrocatalysts For Oxygen Electrodes In Unitized Regenerative Fuel Cells, Tian-Long Zheng, Ming-Yu Ou, Song Xu, Xin-Biao Mao, Shi-Yi Wang, Qing-Gang He

Journal of Electrochemistry

Unitized regenerative fuel cells (URFCs), which oxidize hydrogen to water to generate electrical power under thefuel cells (FCs) mode and electrolyze water to hydrogen under the water electrolysis (WE) mode for recycling, areknown as clean and sustainable energy conversion devices. In contrast to the hydrogen oxidation reaction (HOR) andhydrogen evolution reaction (HER) on the hydrogen electrode side, the sluggish kinetics of oxygen reduction reaction(ORR) and oxygen evolution reaction (OER) on the oxygen electrode side requires highly efficient bifunctional oxygencatalysts. Conventional precious metal oxygen catalysts combine Pt and IrO2 with excellent ORR and OER activities toachieve bifunctional electrocatalysis performance, but …

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Band Alignments Of Metal/Oxides-Water Interfaces Using Ab Initio Molecular Dynamics, Yong-Bin Zhuang, Jun Cheng Jul 2023

Band Alignments Of Metal/Oxides-Water Interfaces Using Ab Initio Molecular Dynamics, Yong-Bin Zhuang, Jun Cheng

Journal of Electrochemistry

Band alignments of electrode-water interfaces are of crucial importance for understanding electrochemical interfaces. In the scenario of electrocatalysis, applied potentials are equivalent to the Fermi levels of metals in the electrochemical cells; in the scenario of photo(electro)catalysis, semiconducting oxides under illumination have chemical reactivities toward redox reactions if the redox potentials of the reactions straddle the conduction band minimums (CBMs) or valence band maximums (VBMs) of the oxides. Computational band alignments allow us to obtain the Fermi level of metals, as well as the CBM and VBM of semiconducting oxides with respect to reference electrodes. In this tutorial, we describe …

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Electrochemical Scanning Tunneling Microscopy: Taking The Initial Stage Of Cu Electrodeposition On Au(111) As An Example, Zhuo Tan, Kai-Xuan Li, Bing-Wei Mao, Jia-Wei Yan Jul 2023

Electrochemical Scanning Tunneling Microscopy: Taking The Initial Stage Of Cu Electrodeposition On Au(111) As An Example, Zhuo Tan, Kai-Xuan Li, Bing-Wei Mao, Jia-Wei Yan

Journal of Electrochemistry

Electrochemical scanning tunneling microscopy (ECSTM) plays an important role in the field of electrochemistry, which can obtain potential-dependent structural information of electrode surface with high spatial resolution and observe some reaction processes in electrolyte solutions, and provide a powerful way to understand the interfacial structure and electrode processes from the perspective of high spatial resolution. In this article, the study of electrodeposition of Cu on Au (111) by ECSTM is taken as an example to introduce the experimental methods required for ECSTM and share our experience with other electrochemical groups. Firstly, the working principle of STM is introduced so that …

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Ultramicroelectrode Experiments: Principles, Fabrications And Voltmmetric Behaviors, Zhen Ma, Jia-Yang Lin, Wen-Jing Nan, Lian-Huan Han, Dong-Ping Zhan Jul 2023

Ultramicroelectrode Experiments: Principles, Fabrications And Voltmmetric Behaviors, Zhen Ma, Jia-Yang Lin, Wen-Jing Nan, Lian-Huan Han, Dong-Ping Zhan

Journal of Electrochemistry

Due to the small size at least in one dimension (< 25 μm), ultramicroelectrode (UME) has small electric-double-layer capacitance, low IR drop, rapid mass transfer rate, fast response, high signal/noise ratio and high spatiotenporal resolution. UME is qualified not only to study the kinetics of fast electrode processes, but also to act as the probe of scanning electrochemical microscopies to obtain the localized chemical or electrochemical reactivity of the substrates. Thus, UMEs play a significant role in various research domains of electrochemistry, and have become an important electrochemical experimental method. Herein, we will introduce the basic principles, a simple fabrication method and voltammetric experimental protocols of UME, providing a guide to carry out the UME experiments.

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62nd Annual Rocky Mountain Conference On Magnetic Resonance Jul 2023

62nd Annual Rocky Mountain Conference On Magnetic Resonance

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 62nd annual meeting of the Rocky Mountain Conference on Magnetic Resonance, co-endorsed by the Colorado Section of the American Chemical Society and the Society for Applied Spectroscopy. Held in Sonesta Denver Downtown, Denver, Colorado, July 23-27, 2023.

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Exfoliation And Spray Deposition Of Graphene Nanoplatelets In Ethyl Acetate And Acetone: Implications For Additive Manufacturing Of Low-Cost Electrodes And Heat Sinks, Muhammed Ramazan Oduncu, Zhifan Ke, Bingyuan Zhao, Zhongxia Shang, Robin Simpson, Haiyan Wang, Alexander Wei Jul 2023

Exfoliation And Spray Deposition Of Graphene Nanoplatelets In Ethyl Acetate And Acetone: Implications For Additive Manufacturing Of Low-Cost Electrodes And Heat Sinks, Muhammed Ramazan Oduncu, Zhifan Ke, Bingyuan Zhao, Zhongxia Shang, Robin Simpson, Haiyan Wang, Alexander Wei

Department of Chemistry Faculty Publications

Nonaqueous dispersions of graphene nanoplatelets (GrNPs) can be used to prepare thin films and coatings free of surfactants, but typically involve polar organic solvents with high boiling points and low exposure limits. Here, we describe the mechanochemical exfoliation and dispersion of GrNPs in volatile aprotic solvents such as ethyl acetate (EtOAc) and acetone, which rank favorably in green solvent selection guides. GrNPs in powder form were exfoliated with a solvent on a horizontal ball mill for 48 h and then sonicated at moderate power to produce suspensions in excess of 300 μg/mL with minimum loss of dispersion stability over 7 …

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C···O And Si···O Tetrel Bonds: Substituent Effects And Transfer Of The Sif3 Group, Zhihao Niu, Qiaozhuo Wu, Qingzhong Li, Steve Scheiner Jul 2023

C···O And Si···O Tetrel Bonds: Substituent Effects And Transfer Of The Sif3 Group, Zhihao Niu, Qiaozhuo Wu, Qingzhong Li, Steve Scheiner

Chemistry and Biochemistry Faculty Publications

The tetrel bond (TB) between 1,2-benzisothiazol-3-one-2-TF3-1,1-dioxide (T = C, Si) and the O atom of pyridine-1-oxide (PO) and its derivatives (PO-X, X = H, NO2, CN, F, CH3, OH, OCH3, NH2, and Li) is examined by quantum chemical means. The Si···O TB is quite strong, with interaction energies approaching a maximum of nearly 70 kcal/mol, while the C···O TB is an order of magnitude weaker, with interaction energies between 2.0 and 2.6 kcal/mol. An electron-withdrawing substituent on the Lewis base weakens this TB, while an electron-donating group has the opposite …

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Enhanced Quantum Chemistry With Machine Learning, Brock Dyer Jul 2023

Enhanced Quantum Chemistry With Machine Learning, Brock Dyer

Physics and Astronomy Summer Fellows

This file is a catalogue of the relevant quantum mechanical and computer programming topics that I learned during the summer which will be helping me to generate an artificial intelligence that will be able to perform computational chemical calculations at a much faster rate and comparable or better accuracy than current methods.

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Carbon Nanotubes Animated, Nicholas Onyemeke Jul 2023

Carbon Nanotubes Animated, Nicholas Onyemeke

Chemistry Summer Fellows

In this project, I implemented the knowledge about carbon nanotubes into an animated short. The animated short is meant to simplify the research so that anyone can understand regardless of their background in science. The research I did was on how nanotubes can be used in the medical field as a measure to inhibit bacteria growth. A nanotube dye solution was synthesized to inoculate bacteria along with an antibiotic solution with the nanotubes. This was done to observe how well the nanotubes can inhibit bacteria growth without the need for a drug compared to the effectiveness when it has a …

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Ortho-Fluoro Effect On The C–C Bond Activation Of Benzonitrile Using Zerovalent Nickel, Sébastien Lachaize, Dominique C. Gallegos, Juliana J. Antonio, Abdurrahman C. Atesin, Tülay A. Ateşin, William D. Jones Jul 2023

Ortho-Fluoro Effect On The C–C Bond Activation Of Benzonitrile Using Zerovalent Nickel, Sébastien Lachaize, Dominique C. Gallegos, Juliana J. Antonio, Abdurrahman C. Atesin, Tülay A. Ateşin, William D. Jones

Chemistry Faculty Publications and Presentations

The effect of fluoro substitution on the C–C bond activation of aromatic nitriles has been studied by reacting a variety of fluorinated benzonitriles with the nickel(0) fragment [Ni(dippe)] and by locating the reaction intermediates and transition-state structures on the potential energy surface by using density functional theory calculations with the [Ni(dmpe)] fragment (dippe = 1,2-bis(diisopropylphosphino)ethane, dmpe = 1,2-bis(dimethylphosphino)ethane). As in the previous reports, the reaction of fluorinated benzonitriles with the [Ni(dippe)] fragment initially formed an η2-nitrile complex, which then converted to the C–CN bond activation product. Thermodynamic parameters for the equilibrium between these complexes have been determined experimentally in both …

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Measuring And Enhancing The Ionic Conductivity Of Chloroaluminate Electrolytes For Al-Ion Batteries, Anthony J Lucio, Iwan Sumarlan, Elena Bulmer, Igor Efimov, Stephen Viles, A Robert Hillman, Christopher J Zaleski, Karl S Ryder Jul 2023

Measuring And Enhancing The Ionic Conductivity Of Chloroaluminate Electrolytes For Al-Ion Batteries, Anthony J Lucio, Iwan Sumarlan, Elena Bulmer, Igor Efimov, Stephen Viles, A Robert Hillman, Christopher J Zaleski, Karl S Ryder

Student and Faculty Publications

At the core of the aluminum (Al) ion battery is the liquid electrolyte, which governs the underlying chemistry. Optimizing the rheological properties of the electrolyte is critical to advance the state of the art. In the present work, the chloroaluminate electrolyte is made by reacting AlCl3 with a recently reported acetamidinium chloride (Acet-Cl) salt in an effort to make a more performant liquid electrolyte. Using AlCl3:Acet-Cl as a model electrolyte, we build on our previous work, which established a new method for extracting the ionic conductivity from fitting voltammetric data, and in this contribution, we validate the method across a …

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Degradation Of Oligo[Poly(Ethylene Glycol) Fumarate] Hydrogels Through Stimulus-Mediated Pendent Group Cyclization, Andrew Chung, Burak Tavsanli, Elizabeth Gillies Jul 2023

Degradation Of Oligo[Poly(Ethylene Glycol) Fumarate] Hydrogels Through Stimulus-Mediated Pendent Group Cyclization, Andrew Chung, Burak Tavsanli, Elizabeth Gillies

Chemistry Publications

Hydrogels are of interest for a wide range of applications including drug delivery, regenerative medicine, agriculture, and personal care products. Among the water-soluble synthetic polymers that can be processed to form hydrogels, oligo[poly(ethylene glycol) fumarate] (OPF) has attracted significant attention. The degradation of OPF can be tuned to some extent based on the poly(ethylene glycol) chain length and amount of cross-linker incorporated, but the degradation is generally quite slow, occurring over several months. Here we introduce a new approach to tune and trigger the degradation of OPF. Fumarate alkenes were functionalized to introduce protected pendent amines, that after deprotection could …

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