Open Access. Powered by Scholars. Published by Universities.®

Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

29,917 Full-Text Articles 51,873 Authors 7,869,668 Downloads 306 Institutions

All Articles in Chemistry

Faceted Search

29,917 full-text articles. Page 1 of 961.

A Bio-Tribocorrosion Comparison Between Additively Manufactured And Forged Ti6al4v Parts, Sina Matin, Sahar Toorandaz, Saman Nikpour, Hamidreza Abdolvand, Eshan Toyserkani, Yolanda S. Hedberg 2023 Western University

A Bio-Tribocorrosion Comparison Between Additively Manufactured And Forged Ti6al4v Parts, Sina Matin, Sahar Toorandaz, Saman Nikpour, Hamidreza Abdolvand, Eshan Toyserkani, Yolanda S. Hedberg

Chemistry Publications

Ti6Al4V has been used widely as a biomedical alloy and is increasingly manufactured by additive manufacturing due to customized shapes. As implant material, it is frequently exposed to both friction and corrosive environments. This study investigates the effect of the fabrication process (laser powder bed fusion and forging) on the tribocorrosion behavior of Ti6Al4V in various environments including diluted hydrochloric acid to simulate the acidic environment in a crevice (HCl), phosphate-buffered saline (pH 7.3) with 10 g/L bovine serum albumin (PBS+BSA), and PBS+BSA with 30 mM H2O2. While the presence of BSA hindered the repassivation (reforming of the protective passive …


Stereochemical Engineering Yields A Multifunctional Peptide Macrocycle Inhibitor Of Akt2 By Fine-Tuning Macrocycle-Cell Membrane Interactions, Arundhati Nag, Amirhossein Mafi, Samir Das, Mary Beth Yu, Belen Alvarez-Villalonga, Soo-Kyung Kim, Yapeng Su, William A. Goddard, James R. Heath 2023 Clark University

Stereochemical Engineering Yields A Multifunctional Peptide Macrocycle Inhibitor Of Akt2 By Fine-Tuning Macrocycle-Cell Membrane Interactions, Arundhati Nag, Amirhossein Mafi, Samir Das, Mary Beth Yu, Belen Alvarez-Villalonga, Soo-Kyung Kim, Yapeng Su, William A. Goddard, James R. Heath

Chemistry

Macrocycle peptides are promising constructs for imaging and inhibiting extracellular, and cell membrane proteins, but their use for targeting intracellular proteins is typically limited by poor cell penetration. We report the development of a cell-penetrant high-affinity peptide ligand targeted to the phosphorylated Ser474 epitope of the (active) Akt2 kinase. This peptide can function as an allosteric inhibitor, an immunoprecipitation reagent, and a live cell immunohistochemical staining reagent. Two cell penetrant stereoisomers were prepared and shown to exhibit similar target binding affinities and hydrophobic character but 2-3-fold different rates of cell penetration. Experimental and computational studies resolved that the ligands’ difference …


Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser 2023 The University of Tennessee at Chattanooga

Stress-Sensing In Flexible Epoxy Adhesives, Christine Rukeyser

Honors Theses

In mechanochemistry, mechanical force causes a chemical change using small molecules, called mechanophores, by covalently connecting them into polymer materials. Stress-sensing mechanophores give a visual signal of mechanical force on the molecular level within a material. To our knowledge, stress-sensing mechanophores have never been incorporated into a commercially available epoxy kit. In this work, the characterization of two 3MTM Scotch-Weld TM Epoxy Adhesive kits: DP100 Plus Clear and DP190 Translucent have been completed through FT-IR Spectroscopy. The addition of the mechanophore spiropyran to the 3M kits will be discussed; as well as preparation and characterization of three dimerized anthracene derivatives. …


Design And Synthesis Of N-Succinyl-L,L-2.6-Diaminopimelic Acid Desuccinylase Inhibitors As Potential Novel Antibiotics, Thomas Dipuma 2023 Loyola University Chicago

Design And Synthesis Of N-Succinyl-L,L-2.6-Diaminopimelic Acid Desuccinylase Inhibitors As Potential Novel Antibiotics, Thomas Dipuma

Master's Theses

N-Succinyl-L,L-2,6-Diaminopimelic Acid Desuccinylase (DapE) is a bacterial enzyme located in the lysine biosynthetic pathway of all Gram-negative and most Gram-positive species of bacteria including the notorious ESKAPE pathogens, or pathogenic strains of bacteria that have developed significant levels of resistance to currently available antibiotics. As a means to combat this challenge of growing antimicrobial resistance, we have identified the bacterial enzyme DapE as a conserved, novel enzymate target within these resistant bacterial strains,as DapE is responsible for the production of m-DAP and lysine which are ultimately employed in bacterial cell wall synthesis. The overall aim of this research is to …


Outgassing Behavior And Heat Treatment Optimization Of Jsc-1a Lunar Regolith Simulant, Ryan P. Wilkerson, Mihail P. Petkov, Gerald E. Voecks, Catherine S. Lynch, Holly S. Shulman, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Douglas L. Rickman, Michael R. Effinger 2023 Missouri University of Science and Technology

Outgassing Behavior And Heat Treatment Optimization Of Jsc-1a Lunar Regolith Simulant, Ryan P. Wilkerson, Mihail P. Petkov, Gerald E. Voecks, Catherine S. Lynch, Holly S. Shulman, Santhoshkumar Sundaramoorthy, Amitava Choudhury, Douglas L. Rickman, Michael R. Effinger

Chemistry Faculty Research & Creative Works

As NASA Strives towards a Long Duration Presence on the Moon, It Has Become Increasingly Important to Learn How to Better Utilize Resources from the Lunar Surface for Everything from Habitats, Vehicle Infrastructure, and Chemical Extraction. to that End, a Variety of Lunar Simulants Have Been Sourced from Terrestrially Available Volcanic Minerals and Glass as Apollo Regolith is Unavailable for Experimentation Needing Large Masses. However, While Mineralogy and Chemical Composition Can Approach that of Lunar Material in These Simulants, There Are Still Distinct Non-Lunar Phases Such as Hydrates, Carbonates, Sulfates, and Clays that Can Cause Simulants to Behave Distinctly Non-Lunar …


Towards Deposition Of Iron & Nickel Onto Cadmium Selenide/Cadmium Sulfide Nanorods, Rajib Nath 2023 Western Kentucky University

Towards Deposition Of Iron & Nickel Onto Cadmium Selenide/Cadmium Sulfide Nanorods, Rajib Nath

Masters Theses & Specialist Projects

Metal-semiconductor hybrids have been studied extensively as photocatalysts for the watersplitting reaction to generate hydrogen gas and oxygen gas to use as a renewable energy source. The semiconductor component converts light into electrochemical energy, while the metal component provides a site for chemical reactions with water. Here, the choice of metal can have a significant impact on the efficiency of the catalyst. Platinum efficiently catalyzes the watersplitting reaction and is therefore commonly used in metal-semiconductor hybrids to generate hydrogen. Platinum is very expensive, which motivates research into improving less costly metals like iron or nickel that do not have nearly …


The Influence Of Allostery Governing The Changes In Protein Dynamics Upon Substitution, Joseph Hess 2023 Clemson University

The Influence Of Allostery Governing The Changes In Protein Dynamics Upon Substitution, Joseph Hess

All Dissertations

The focus of this research is to investigate the effects of allostery on the function/activity of an enzyme, human immunodeficiency virus type 1 (HIV-1) protease, using well-defined statistical analyses of the dynamic changes of the protein and variants with unique single point substitutions 1. The experimental data1 evaluated here only characterized HIV-1 protease with one of its potential target substrates. Probing the dynamic interactions of the residues of an enzyme and its variants can offer insight of the developmental importance for allosteric signaling and their connection to a protein’s function. The realignment of the secondary structure elements can …


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 2023 Edith Cowan University

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 …


Studying The Stability Of Collagen/Heparin Coatings To Be Used In Cell Therapy Applications, Gavin Mussino 2023 University of Arkansas, Fayetteville

Studying The Stability Of Collagen/Heparin Coatings To Be Used In Cell Therapy Applications, Gavin Mussino

Biological Sciences Undergraduate Honors Theses

This honors thesis aims to investigate the reusability and performance of cell coatings for cell therapy applications. Cell therapy, which involves the use of human cells to repair or replace damaged tissues, holds immense potential for medical advancements. However, ensuring the survival and functionality of transplanted cells remains a significant challenge. We focused on studying the effectiveness of coatings applied to cells for improved cell growth and viability. The research project involved the preparation of the coatings using a layer-by-layer method and the subsequent seeding of cells. The coated cells were then subjected to a series of experiments to assess …


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

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 …


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

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 …


Carbon Nanotubes Animated, Nicholas Onyemeke 2023 Ursinus College

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 …


Enhanced Quantum Chemistry With Machine Learning, Brock Dyer 2023 Ursinus College

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.


From Waste To Energy: The Electrochemical Reduction Of Co2 Using Recycled Nanostructured Catalysts, Ibrahim Badawy 2023 American University in Cairo

From Waste To Energy: The Electrochemical Reduction Of Co2 Using Recycled Nanostructured Catalysts, Ibrahim Badawy

Theses and Dissertations

The reduction of carbon dioxide (CO2RR) using electrochemistry is a promising solution for the burgeoning global energy crisis. The overall vision of its implementation relies on renewable energy sources to power the reaction creating carbon neutral products and effectively closing the carbon cycle. Research in this field has come a long way since its inception in the mid-1900s. However, there remain significant hurdles and important considerations to overcome in order to reach full commercialization. Most electrocatalysts tested for CO2RR have been designed solely for maximum performance while ignoring the environmental consequences if such a material were …


The Effect Of Heat Treatment And Chemical Treatment On Natural Fibre To The Durability Of Wood Plastic Composites – A Review, Nuratiqah Asyiqin Mohd Nasharudin, Nur Fatihah Sulaiman, Nurul Aziemah Mohammad, WAN NOR RAIHAN WAN JAAFAR, Falah Abu Dr., Siti Norasmah Surip 2023 Universiti Teknologi MARA Cawangan Pahang

The Effect Of Heat Treatment And Chemical Treatment On Natural Fibre To The Durability Of Wood Plastic Composites – A Review, Nuratiqah Asyiqin Mohd Nasharudin, Nur Fatihah Sulaiman, Nurul Aziemah Mohammad, Wan Nor Raihan Wan Jaafar, Falah Abu Dr., Siti Norasmah Surip

Journal of Materials Exploration and Findings (JMEF)

The application of WPC is not only limited to indoor applications but has been extended to exterior applications where properties of WPC could compromise during service life. WPC was derived from wood fiber of various sizes to reinforce polymers. Wood fiber has the advantage of a cheaper price, being abundantly available, and ease of processing, however, the critical factor is its hydrophilic nature, where moisture absorption is likely to occur. Thus, treatments for reducing the hydrophilicity of wood fibers are applied. By treatment of wood fiber, the surface impurities were removed, leaving the roughened surface of fibers, thus providing a …


Investigating The Effects Of The Sugar Alcohol Osmolytes Glycerol And Erythritol In Aot Reverse Micelles, Animesh Dali '24, Bridget Gourley 2023 DePauw University

Investigating The Effects Of The Sugar Alcohol Osmolytes Glycerol And Erythritol In Aot Reverse Micelles, Animesh Dali '24, Bridget Gourley

Student Research

Water is a polar molecule that participates in hydrogen bonding and proton transfer. Geometric confinement and water’s interactions with osmolytes (small water soluble compounds) affect the ability of water molecules to hydrogen bond and transfer charges. Study of this behaviour of water with different osmolytes in controlled environments will help us develop predictive models. In our study, we have prepared Sodium bis(2-ethylhexyl)sulfosuccinate (AOT) reverse micelles (RM) in 2,2,4-Trimethylpentane (Isooctane). Our principle osmolytes were the straight chain sugar alcohols glycerol and erythritol. Study of water-osmolyte behaviour in the small and confined pool of a reverse micelle allows us examine the difference …


Amyloid-Beta Protein Concentration Dependence Of Reversible Aggregation Using Gold Colloid Particles, Renee Spencer, Lila Kocieniewski, Bryan Martinez, Kazushige Yokoyama 2023 State University of New York College at Geneseo

Amyloid-Beta Protein Concentration Dependence Of Reversible Aggregation Using Gold Colloid Particles, Renee Spencer, Lila Kocieniewski, Bryan Martinez, Kazushige Yokoyama

McNair Scholars Program

Although Alzheimer’s and COVID-19 are different diseases, the commonality between them is during the process of them developing in a person by fibrillogenesis. The product of fibrillogenesis results in the development of these diseases. We study the first stage of fibrillogenesis where the amyloid-beta peptide monomers are assembled into an oligomer. We want to isolate this oligomer using gold colloids because this step can be reversed. Utilizing gold colloids allows us to freeze fibrillogenesis in the first step by folding and unfolding the protein repeatedly through a series of pH changes from 4 or below to 10 or higher. At …


Investigation Of Vitamin D Metabolites Using Different Ion Mobility-Mass Spectrometry (Im-Ms) Methods, Selena Kingsley, Christopher D. Chouinard 2023 Clemson University

Investigation Of Vitamin D Metabolites Using Different Ion Mobility-Mass Spectrometry (Im-Ms) Methods, Selena Kingsley, Christopher D. Chouinard

Chemistry Summer Research Program

No abstract provided.


Application Of Two-Parameter Item Response Theory For Determining Form-Dependent Items On Exams Using Different Item Orders, Thomas C. Pentecost, Jeffery R. Raker, Kristen L. Murphy 2023 Grand Valley State University

Application Of Two-Parameter Item Response Theory For Determining Form-Dependent Items On Exams Using Different Item Orders, Thomas C. Pentecost, Jeffery R. Raker, Kristen L. Murphy

Practical Assessment, Research, and Evaluation

Using multiple versions of an assessment has the potential to introduce item environment effects. These types of effects result in version dependent item characteristics (i.e., difficulty and discrimination). Methods to detect such effects and resulting implications are important for all levels of assessment where multiple forms of an assessment are created. This report describes a novel method for identifying items that do and do not display form dependence. The first two steps identify form dependent items using a differential item functioning (DIF) analysis of item parameters estimated by Item Response Theory. The method is illustrated using items that appeared in …


Adsorption Performance Of Mg0.33ni0.33co0.33fe2o4 Nanoparticles Doped With Gadolinium And Lanthanum For Lead (Ii) Removal, Mariam Rabaa, Amani Aridi, Ghassan Younes, Ramadan Awad 2023 Departement of Chemistry, Faculty of Science, Beirut Arab University, Debbieh, Lebanon

Adsorption Performance Of Mg0.33ni0.33co0.33fe2o4 Nanoparticles Doped With Gadolinium And Lanthanum For Lead (Ii) Removal, Mariam Rabaa, Amani Aridi, Ghassan Younes, Ramadan Awad

BAU Journal - Science and Technology

The issue of water pollution has become a major concern in recent times, and the need for effective strategies for treating contaminated water sources has become more urgent. One promising approach that has been gaining attention in the field of wastewater treatment is the use of nano-ferrites. In this regard, novel Mg0.33Ni0.33Co0.33LaxFe2-xO4 and Mg0.33Ni0.33Co0.33GdxFe2-xO4 nanoparticles (NPs), where x = 0.00, 0.01 and 0.08, were synthesized to test their adsorption performance for the removal of Pb (II). The structural …


Digital Commons powered by bepress