Digital Commons Network^™

Identification Of A Β-Arrestin-Biased Negative Allosteric Modulator For The Β2-Adrenergic Receptor, Michael Ippolito, Francesco De Pascali, Nathan Hopfinger, Konstantin E. Komolov, Daniela Laurinavichyute, Poli Adi Narayana Reddy, Leon A. Sakkal, Kyle Z. Rajkowski, Ajay P. Nayak, Justin Lee, Jordan Lee, Gaoyuan Cao, Preston S. Donover, Melvin Reichman, Stevens. An, Joseph M. Salvino, Raymond B. Penn, Roger S S. Armen, Charles P. Scott, Jeffrey L. Benovic

Department of Biochemistry and Molecular Biology Faculty Papers

Catecholamine-stimulated β2-adrenergic receptor (β2AR) signaling via the canonical Gs–adenylyl cyclase–cAMP–PKA pathway regulates numerous physiological functions, including the therapeutic effects of exogenous β-agonists in the treatment of airway disease. β2AR signaling is tightly regulated by GRKs and β-arrestins, which together promote β2AR desensitization and internalization as well as downstream signaling, often antithetical to the canonical pathway. Thus, the ability to bias β2AR signaling toward the Gs pathway while avoiding β-arrestin-mediated effects may provide a strategy to improve the functional consequences of β2AR activation. Since attempts to develop Gs-biased agonists and allosteric modulators for the β2AR have been largely unsuccessful, here we …

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 …

Pandemic Challenges Lead To Improved Chemistry Lab, Communications And Marketing

Campus News Archive

No abstract provided.

New Methods Of Selectivity Using Electrochemistry, Qiwei Jing

Arts & Sciences Graduate Student Theses and Dissertations

This project has been working on introducing new type of method to induce chemoselectivity into electrochemical reactions by modifying the surface of an electrode and then confining chemical reactions to the region of the reaction close to that surface. The goal is to translate the extremely high levels of site-selectivity seen in chemical reactions on a microelectrode array into a tool for preparative synthetic reactions.As a proof-of-principle experiment, Pt-anode was coated with a diblock copolymer that is known to have an affinity for pyrene groups. The electrode is then used in the oxidation of two alcohol substrates: one having the …

Clemson University Women Trailblazers, A. M. Alexander, J. W. Harris

Clemson University Women Trailblazers

No abstract provided.

Scanning Probe Microscopy Studies Of Petroleum Chemistry: Substrate-Dependent Catalytic Properties Of Mos2 And Automating Scanning Probe Microscopy With Machine Learning, Steven Arias

Doctoral Dissertations

With the growth of the population, society’s energy demands are mostly reliant on petroleum products that come from the refining of crude oil. Most of these refining reactions have been developed through averaging spectroscopic techniques, but scientists do not know exactly what is happening in these processes at the nano and atomic levels. This information is crucial when designing an efficient refining process that produces petroleum products that emit fewer harmful gases when combusting. Scanning probe microscopy techniques have become a powerful tool to look into the chemical structures found in petroleum products, to understand catalytic reactions in refining processes, …

Molecular Devices For Measuring Weak Solvophobic Interactions And The Development Of Pedagogical Tools For Organic Chemistry Students, Alexander N. Manzewitsch

Theses and Dissertations

The main topics of this dissertation are: 1) the development and discussion of a new molecular balance for measuring alkyl-alkyl interactions in a wide array of organic solvents, 2) the development of linear solvation energy relationships between solvent interaction parameters and solvent accessible surface area (SASA) in CH-arene interactions, and 3) the development of online resources for helping undergraduate students perform organic chemistry mechanisms problems well.

The solvophobic effect, that is the forced association between two solutes due to intermolecular attraction of the solvent molecules, is ubiquitous in organic chemistry and responsible for many significant phenomena thereof. However, there is …

Slo3 In The Fast Lane: The Latest Male Contraceptive Target With A Promising Small-Molecule Inhibitor, Zhi Tan, Thomas X Garcia

Faculty, Staff and Students Publications

No abstract provided.

Synthesis And Analysis Of Novel Troponoid-Based Chemical Probes, Alex Berkowitz

Dissertations, Theses, and Capstone Projects

Troponoids are a class of non-benzenoid aromatic species featuring a cycloheptatrienone ring and varying degrees of oxygenation. These scaffolds have proven ubiquitous amongst natural products, and have displayed promise as therapeutic agents against a variety of diseases. Herein, we will describe our efforts towards furthering troponoids as potential pharmaceuticals. In Chapter 1, we outline a kojic acid-derived oxidopyrylium cycloaddition/ring-opening method developed in our lab to generate ahydroxytropolones (aHTs). This route was successfully adapted to synthesize a small library of lipophilic aHTs that were proven to be effective against herpes simplex virus-1 (HSV-1) replication, while providing further insight into the mechanism …

Synthesis, Theoretical Study, And Biological Evaluation Of Some Metal Ions With Ligand "Methyl -6-[2-(4-Hydroxyphenyl) -2-((1-Phenylethylidene) Amino) Acetamido] -2,2-Dimethyl-5—Oxo-1-Thia-4-Azabicyclo [3.2.0] Heptane-3-Carboxyylate, Sahar S. Hassan, Nafeesa J. Kadhim, Zahraa. A. Jaber

Baghdad Science Journal

Schiff base (methyl 6-(2- (4-hydroxyphenyl) -2- (1-phenyl ethyl ideneamino) acetamido) -3, 3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0] heptane-2-carboxylate)Co(II), Ni(II), Cu (II), Zn (II), and Hg(II)] ions were employed to make certain complexes. Metal analysis M percent, elemental chemical analysis (C.H.N.S), and other standard physico-chemical methods were used. Magnetic susceptibility, conductometric measurements, FT-IR and UV-visible Spectra were used to identified. Theoretical treatment of the generated complexes in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (ΔH˚f), binding energy (ΔEb), and total energy (ET) for ligands and metal complexes …

Phytoecdysteroids And Anabolic Effect Of Atriplex Dimorphostegia: Uplc-Pda-Ms/Ms Profiling, In Silico And In Vivo Models, Noha Swilam, German University In Cairo (Guc), Singab, The British University In Egypt (Bue), Iriny M. Ayoub

Pharmacy

Atriplex dimorphostegia (Saltbush) is an annual halophytic shrub that is widely distributed across various parts of Asia. The current study is the first to report the metabolites profile of the total ethanol extract of the aerial parts of A. dimorphostegia (TEAD), and its anabolic activity together with the isolated 20-hydroxyecdysone (20-HE) in orchiectomized male rats. TEAD was analyzed and standardized utilizing UPLC-PDA-ESI–MS/MS and UPLC-PDA-UV techniques, resulting in tentative identification of fifty compounds including polyphenols, steroids and triterpenoids. In addition, 20-HE was quantified, representing 26.79 µg/mg of the extract. Phytochemical investigation of TEAD resulted in the isolation of 20-HE from the …

The Periodical 2023-2024, Southern Adventist University

the Periodical – Chemistry Department Newsletter

Vol. 11, Issue 1 of the Periodical features information about an educational grant, chemistry graduates, alumni spotlight, and department events.

Lanthanide-Based Responsive Contrast Agents For Magnetic Resonance Imaging, Md Mamunur Rashid

Wayne State University Dissertations

This thesis is a collection of seven chapters that discuss the contributions to the field oflanthanide-based contrast agents for magnetic resonance imaging (MRI), particularly in the context of imaging hypoxia and extracellular pH. These physiological changes play a significant role in life-threatening conditions such as cancer, making it essential to develop effective imaging tools to aid in diagnosis and treatment. The thesis provides insights for the rational development of lanthanide-based contrast agents for MRI. A comprehensive review of divalent europium as a tool for imaging hypoxia using magnetic resonance imaging and how coordination chemistry can be used to tune the …

The Future Of Alternative Energy? Simulating Methyl Stearate Pyrolysis Via Molecular Dynamic Processes, Sarah J. Adeoye

Graduate Theses/Dissertations

The process of extracting and refining crude oil is both expensive and environmentally hazardous. The synthesis of biodiesel sourced from vegetable oils is a renewable process and less hazardous to the environment. Therefore, we seek to understand the pyrolysis procedure at an atomic level in hopes of optimizing future fuel viability. Herein, I analyze methyl stearate (a component of biodiesel) using an in-house database of ab initio trajectories, each simulating 1.0 ps (with 1.0 fs resolution). These jobs were observed for significant bond-breaking/forming events, the type of fragments produced, and the exact position and time for each event. Statistical analysis …

An Acid Baking Approach To Enhance Rare Earth Element Recovery From Bituminous Coal Sources, Ahmad Nawab

Theses and Dissertations--Mining Engineering

Rare earth elements (REE) are a group of 17 elements typically classified as light and heavy rare earth elements, which play a crucial role in developing the latest technologies for energy, defense, and medical sectors. Even though REEs have been found in more than 200 minerals, only bastnaesite, monazite and xenotime are commercially exploited for REE extraction. However, the recent exponential increase in REE demand has spurred countries such as the United States into research for the extraction of REEs from secondary sources such as coal, acid mine drainage, and coal ash. Several coal sources (e.g., Fire Clay seam coal) …

Cryptand-Based Low-Valent F-Block Complexes Toward Stabilization And Separation Of Actinides And Lanthanides, Deshika Nuwangi Kulasekara

Wayne State University Dissertations

ABSTRACTCRYPTAND-BASED LOW-VALENT F-BLOCK COMPLEXES TOWARD STABILIZATION AND SEPARATION OF ACTINIDES AND LANTHANIDES DESHIKA NUWANGI KULASEKARA August 2023 Advisor: Dr. Matthew J. Allen Major: Chemistry (Inorganic) Degree: Doctor of Philosophy This thesis consists of six chapters that include studies of the understanding of ligand environment on the stabilization and separation of low-valent lanthanides and actinides. The studies explain the trends in structural, spectroscopic, and electrochemical properties of lanthanide and actinides with respect to changes in donor atoms, denticity, basicity, and counter ions. This dissertation also discusses a ligand-modified solid–liquid extraction method to separate lanthanide from each other. A brief overview of …

Chem 361-002: Environmental Chemistry Ii, Alexei Khalizov

Chemistry, Environmental and Forensic Science Syllabi

No abstract provided.

Deposited Cigarette Smoke As A Driver Of Oxidation And Partitioning Processes On Indoor Surfaces, April Hurlock

Honors Theses

Despite the large amount of time that individuals spend indoors during their lives, very little attention was paid to the chemistry that occurs on indoor surfaces until recently. Although not visible to the naked eye, physical and chemical processes, such as partitioning and oxidation, are occurring on virtually every indoor surface in a typical household. Indoor pollutants, ranging from skin oils to environmental cigarette smoke, drive a lot of these processes. The transformation of indoor surfaces by indoor pollutants can increase chemical exposure risks as new irritants or carcinogens can be introduced to the surfaces. In this thesis, I describe …

University Of Richmond Magazine - Summer 2023

University of Richmond Magazine

The University of Richmond's Alumni Magazine was first published as The Alumni Bulletin in 1936 and continues to this day as the University of Richmond Magazine.

Generation, Characterization And Reactivity Of Cobalt Diamond Core And Cobalt Peroxo Complexes, Yan Li

Graduate Student Theses, Dissertations, & Professional Papers

The development of efficient and low-cost technologies that convert hydrocarbons, including methane, to liquid fuels through controlled functionalization of its inert C–H bond is a fundamental challenge. Also, the activation of carbon−hydrogen (C−H) bonds is the first step of functionalizing inert hydrocarbons. This transformation is a key step in many biological and synthetic processes. One representative example inspired by nature is the metalloenzyme called soluble methane monooxygenase (sMMO), a nonheme dinuclear iron-dependent enzyme that catalyzes the hydroxylation of the strong C–H bond of methane (bond dissociation energy BDE = 105 kcal/mol) using O2 as the oxidant. The catalytic cycle of …

Surface Modification Of Activated Carbon From Sago Waste, Khaeriah Dahlan, Yane Oktovina Ansanay, Alda Filadelfi Runggaweri, Marlifon Merani

Journal of Metals, Materials and Minerals

In this paper, we analyzed the effect of surface modification on the surface properties of the active carbon from sago waste using varied oxidizers, namely H2O2, HNO3, and H2SO4. The ordinary active carbon has an initial surface area of 546.6 m2∙g-1, with a phenol and carboxylic functional group. The porosity, functional groups and morphological surface, together with the chemical composition of activated carbon were examined using a nitrogen adsorption-desorption through the Brunauer Emmett Teller (BET) method and the calculation of Barret-Joyner-Hall (BJH), a Fourier-transformed infrared spectroscopy, and a scanning electron microscopy with energy dispersive spectroscopy. The results found that the …

Development And Assessment Of Gamified Process-Oriented Guided Inquiry Learning Activities In Undergraduate Large Lecture Chemistry Courses, Nathan Turner

Electronic Theses and Dissertations

Students who take general chemistry and do not perform well are more likely to pursue an alternative degree or remove themselves from STEM curriculum entirely. Poor academic performance and high student attrition rates in general chemistry courses have resulted in the perception of chemistry courses being gatekeepers for students in pursuit of STEM degrees. Process-Oriented Guided Inquiry Learning (POGIL) has shown promising results in both lecture and laboratory teaching on student performance in chemistry while gamification has been used to enhance student learning experiences to help students grasp chemistry concepts. The current project blends two student-centered approaches, gamification and POGIL, …

Pedagogical Content Knowledge (Pck) Change And Professional Development For Educators: An Assessment Of A Master’S In Chemistry Program For High School Science Teachers, Mary Charlotte Bautista

Electronic Theses and Dissertations

The M.S. Chemistry – Chemical Education Specialization program at South Dakota State University provides in-depth general chemistry coursework to in-service high school science teachers in a virtual format. The goal of the program is for the teachers enrolled to become more effective teachers while gaining content knowledge in chemistry; in essence, to increase their pedagogical content knowledge (PCK). The aim of this study is to follow participants through their experience in this program in order to understand how the program’s requirements enhance its participants’ teaching and learning. A narrative framework follows one participant through their two-year experience in the program, …

Induction Of Antibiotic Activity Against Methicillin-Resistant Staphylococcus Aureus In Small Molecules Through Zinc Activation, Rachel Michaela Andrews

All ETDs from UAB

Methicillin-resistant Staphylococcus aureus (MRSA) is a serious human pathogen with a staggering potential for multi-drug resistance. Because of this, the Centers for Disease Control and Prevention and the World Health Organization monitor the spread of MRSA and encourage antibiotic development efforts targeting this pathogen. Despite this, few antibiotics have been developed and brought to market in recent decades. To continue treating infections caused by this organism, we must identify novel antibiotic molecules with different mechanisms of action from known antibiotics. Bacterial copper-dependent inhibitors (CDIs), molecules that become antibacterial in the presence of copper (Cu), have been studied as a novel …

Oceanographic Applications Of A Monolithic Spatial Heterodyne Raman Spectrometer, Amanda Carol Agrawal

Theses and Dissertations

Carbon dioxide enters the ocean through a variety of natural and anthropogenic sources, and has a significant impact on ocean acidification, the marine buffering system, and bioavailability of life-essential carbonate ions. As carbon dioxide dissolves it reacts with water to form carbonic acid, which then rapidly dissociates into hydronium, bicarbonate, and carbonate ions. Some hydronium ions protonate carbonate to form bicarbonate, driving the carbonate concentration lower while there is a net increase in hydronium concentration. Monitoring the carbonate equilibrium system in the ocean is a complex analytical problem, where speciation is often measured or calculated indirectly ex situ. It …

Structure-Emission Relationship Of Some Coumarin Laser Dyes And Related Molecules: Prediction Of Radiative Energy Dissipation And The Intersystem Crossing Rate Constants, Msa Abdelmottaleb

Turkish Journal of Chemistry

Dye lasers are commonly used in optical investigation because their solutions in organic solvents deliver tunable, coherent emissions. They exhibit intense fluorescence owing to some specific spectroscopic characteristics. One drawback of the laser dyes is that it shows excessive triplet-state losses (TSLs.) The lack of theoretical predictions of fluorescence rates, intersystem crossing (ISC), and phosphorescence in laser dyes prompted us to report on the predicted rates of radiative and nonradiative transitions of some laser dyes. Structural engineering by some substituents influencing the simulated rates of coumarin laser dye derivatives for an efficient operation was investigated. The NH$_{2}$ functional group renders …

Far-Uvc: Technology Update With An Untapped Potential To Mitigate Airborne Infections, P. Jacob Bueno De Mesquita, Rosemary K. Sokas, Mary B. Rice, Edward A. Nardell

Arts & Sciences Faculty Publications

No abstract provided.

Investigating Small-Group Cognitive Engagement In General Chemistry Learning Activities Using Qualitative Content Analysis And The Icap Framework, Safaa Y. El-Mansy, Jack Barbera, Alissa J. Hartig

Chemistry Faculty Publications and Presentations

The level of students’ engagement during active learning activities conducted in small groups is important to understanding the effectiveness of these activities. The Interactive–Constructive–Active–Passive (ICAP) framework is a way to determine the cognitive engagement of these groups by analyzing the conversations that occur while student groups work on an activity. This study used qualitative content analysis and ICAP to investigate cognitive engagement during group activities in a General Chemistry course at the question level, a finer grain size than previously studied. The analysis determined the expected engagement based on question design and the observed engagement based on group conversations. Comparisons …

Problem Solving Ability: Symbolic Level Analysis In Chemistry Education Students On The Topic Of Chemical Equilibrium, Aceng Haetami, Elsya Febiana Fahira, La Rudi, Benjamin Laurentino Vaz

Jurnal Pendidikan: Teori, Penelitian, dan Pengembangan

This study aimed to determine the ability to solve chemical problems at the symbolic level of chemistry education students and to determine student responses to the Three Tier test question model. The method used descriptive. The sample this study were chemistry education students at Halu Oleo University with totalling 73 students. Data collection in this study was carried out using research instruments in the form of Three Tier Test questions and student response questionnaires to the question model. The analysis results show that 16.3% of students understand the concept, 60.3% have misconceptions, and 23.4% do not understand the concept.

Recent Advances In Computational Study And Design Of Mof Catalysts For Co2 Conversion, Haoyuan Chen

School of Integrative Biological & Chemical Sciences (Formerly Dept. of Chemistry)

Catalytic conversion of the greenhouse gas CO2 into value-added chemicals and fuels is highly beneficial to the environment, the economy, and the global energy supply. Metal–organic frameworks (MOFs) are promising catalysts for this purpose due to their uniquely high structural and chemical tunability. In the catalyst discovery process, computational chemistry has emerged as an essential tool as it can not only aid in the interpretation of experimental observations but also provide atomistic-level insights into the catalytic mechanism. This Mini Review summarizes recent computational studies on MOF-catalyzed CO2 conversion through different types of reactions, discusses about the usage of various computational …