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Articles 1711 - 1740 of 34529
Full-Text Articles in Physical Sciences and Mathematics
Functional Comparison Of Full-Length Palladin To Isolated Actin Binding Domain, Sharifah Albraiki, Oluwatosin Ajiboye, Rachel Sargent, Moriah R. Beck
Functional Comparison Of Full-Length Palladin To Isolated Actin Binding Domain, Sharifah Albraiki, Oluwatosin Ajiboye, Rachel Sargent, Moriah R. Beck
Research, Publications & Creative Work
Palladin is an actin binding protein that is specifically upregulated in metastatic cancer cells but also colocalizes with actin stress fibers in normal cells and is critical for embryonic development as well as wound healing. Of nine isoforms present in humans, only the 90 kDa isoform of palladin, comprising three immunoglobulin (Ig) domains and one proline-rich region, is ubiquitously expressed. Previous work has established that the Ig3 domain of palladin is the minimal binding site for F-actin. In this work, we compare functions of the 90 kDa isoform of palladin to the isolated actin binding domain. To understand the mechanism …
Analysis Of Fiber Uv Degradation Through An Environmental Chamber, Davis A. Eames
Analysis Of Fiber Uv Degradation Through An Environmental Chamber, Davis A. Eames
Undergraduate Research Posters
Environmentally degraded fibers could impact multiple aspects of a fiber comparison, considering that collected weathered fabrics/fibers may express an altered chemical structure and/or colorimetric property compared to their unexposed counterparts. Depending on the amount of degradation the evidence has suffered, it could be challenging for forensic scientists to make conclusions from their comparative analyses. Observations presented in this study were orchestrated to test the possible outcomes that sunlight has on fabric-based materials. Photodegradation of fabrics was investigated through the use of an environmental chamber for a duration of six weeks, which would be equivalent to three months of real-world UV …
Using Catalysis To Control The Morphology And Stiffness Of Shape Memory Poly(Isocyanurate-Urethane) (Pir-Pur) Aerogels, A. B.M. Shaheen Ud Doulah, Chandana Mandal, Hojat Majedi Far, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, Nicholas Leventis, Chariklia Sotiriou-Leventis
Using Catalysis To Control The Morphology And Stiffness Of Shape Memory Poly(Isocyanurate-Urethane) (Pir-Pur) Aerogels, A. B.M. Shaheen Ud Doulah, Chandana Mandal, Hojat Majedi Far, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, Nicholas Leventis, Chariklia Sotiriou-Leventis
Chemistry Faculty Research & Creative Works
A large array of anhydrous metal ions were tested as catalysts in the preparation of shape memory poly(isocyanurate-urethane) (PIR-PUR) aerogels from the reaction of 1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione (Desmodur N3300A: a well-known isocyanurate-based aliphatic triisocyanate) and triethylene glycol (TEG) in anhydrous acetonitrile. The reaction yielded wet gels that were dried into aerogels in an autoclave with supercritical fluid CO2. The catalytic activity was mostly identified among CH3CN-soluble salts (mainly chlorides) of third-row d-block elements from iron to zinc, group 13 elements from aluminum to thallium, as well as cadmium, bismuth, and tin. Tin (119Sn) NMR indicated that the metal ion complexes with TEG, …
Rovibrational States Calculations Of The H2o-Hcn Heterodimer With The Multiconfiguration Time Dependent Hartree Method, Hervé Tajouo Tela, Ernesto Quintas-Sánchez, Marie Lise Dubernet, Yohann Scribano, Richard Dawes, Fabien Gatti, Steve Ndengué
Rovibrational States Calculations Of The H2o-Hcn Heterodimer With The Multiconfiguration Time Dependent Hartree Method, Hervé Tajouo Tela, Ernesto Quintas-Sánchez, Marie Lise Dubernet, Yohann Scribano, Richard Dawes, Fabien Gatti, Steve Ndengué
Chemistry Faculty Research & Creative Works
Water and hydrogen cyanide are two of the most common species in space and the atmosphere with the ability of binding to form dimers such as H2O-HCN. In the literature, while calculations characterizing various properties of the H2O-HCN cluster (equilibrium distance, vibrational frequencies and rotational constants) have been done in the past, extensive calculations of the rovibrational states of this system using a reliable quantum dynamical approach have yet to be reported. In this work, we intend to mend that by performing the first calculation of the rovibrational states of the H2O-HCN van der …
Nmr Study Of Co2 Capture By Butylamine And Oligopeptide Kdde In Aqueous Solution: Capture Efficiency And Gibbs Free Energy Of The Capture Reaction As A Function Of Ph**, Kaidi Yang, Joseph Schell, Fabio Gallazzi, Wei Wycoff, Rainer Glaser
Nmr Study Of Co2 Capture By Butylamine And Oligopeptide Kdde In Aqueous Solution: Capture Efficiency And Gibbs Free Energy Of The Capture Reaction As A Function Of Ph**, Kaidi Yang, Joseph Schell, Fabio Gallazzi, Wei Wycoff, Rainer Glaser
Chemistry Faculty Research & Creative Works
We Have Been Interested in the Development of Rubisco-Based Biomimetic Systems for Reversible CO2 Capture from Air. Our Design of the Chemical CO2 Capture and Release (CCR) System is Informed by the Understanding of the Binding of the Activator CO2 (ACO2) in Rubisco (Ribulose-1,5-Bisphosphate Carboxylase/oxygenase). the Active Site Consists of the Tetrapeptide Sequence Lys-Asp-Asp-Glu (Or KDDE) and the Lys Sidechain Amine is Responsible for the CO2 Capture Reaction. We Are Studying the Structural Chemistry and the Thermodynamics of CO2 Capture based on the Tetrapeptide CH3CO−KDDE−NH2 ("KDDE") in Aqueous …
การเตรียมและลักษณะเฉพาะของแวกซ์เอสเทอร์จากกรดปาลมิติก, ณัฐกมล ดีมูลมั่ง
การเตรียมและลักษณะเฉพาะของแวกซ์เอสเทอร์จากกรดปาลมิติก, ณัฐกมล ดีมูลมั่ง
Chulalongkorn University Theses and Dissertations (Chula ETD)
งานวิจัยนี้มุ่งเน้นการสังเคราะห์แวกซ์ปาลมิติกผ่านปฏิกิริยารีดักชันและปฏิกิริยาเอสเทอริฟิเคชัน ปฏิกิริยารีดักชันเป็นการเปลี่ยนกรดปาลมิติกเป็นปาลมิติกแอลกอฮอล์ ตัวแปรของการศึกษานี้คือปริมาณของตัวเร่งปฏิกิริยาและเวลา ภาวะที่เหมาะสมในการทำปฏิกิริยาคือ ปริมาณของตัวเร่งปฏิกิริยา 2.66%w/w และเวลา 24 ชั่วโมง เนื่องจากผลิตภัณฑ์ที่ได้เป็นของผสมระหว่างผลิตภัณฑ์ปาลมิติกแอลกอฮอล์และกรดปาลมิติกส่วนเกิน จึงมีการสกัดแยกด้วยตัวทำละลาย เช่น เมทานอล เอทานอล ไอโซ-โพรพานอล เมทิลเอทิลคีโตน และไดเมทิลฟอร์มาไมด์ เพื่อแยกกรดปาลมิติกและผลิตภัณฑ์ปาลมิติกแอลกอฮอล์ จากนั้นทำปฏิกิริยาเอสเทอริฟิเคชันเพื่อสังเคราะห์แวกซ์เอสเทอร์ที่ได้จากกรดปาลมิติกและปาลมิติกแอลกอฮอล์ พบว่าแวกซ์ปาลมิติกสังเคราะห์จากปาลมิติกแอลกอฮอล์ได้สำเร็จ (อัตราส่วนระหว่าง CA/ตัวทำละลายเป็น 1:2) คือ W-CA-MeOH2, W-CA-EtOH2 และ W-CA-MEK2 ให้ร้อยละผลได้ของแวกซ์ปาลมิติกเอสเทอร์สูงที่ 48.1, 71.0 และ 56.7% ตามลำดับ สมบัติทางกายภาพและทางเคมีของแวกซ์ปาลมิติกศึกษาด้วยการวิเคราะห์ FTIR, XRD, NMR, DSC และ TGA แวกซ์ปาลมิติก W-CA-EtOH2 ซึ่งเป็นสารเคลือบกระดาษมีค่าความไม่ชอบน้ำยิ่งยวดสูงด้วยค่ามุมสัมผัส 161.4 องศา นอกจากนี้การเคลือบ W-CA-EtOH2 มีความต้านทานน้ำสูงโดยมีการดูดซึมน้ำต่ำที่ 0.43 ผลของการศึกษานี้บ่งบอกกระดาษที่เคลือบด้วยแวกซ์ปาลมิติกมีประสิทธิภาพความทนน้ำเพิ่มขึ้นเมื่อเทียบกับกระดาษที่ไม่คลือบ
First Review Of Equilibrium Landscape Of Ingress/Egress Channels And Gating Residues Of The Cytochrome P450 3a4, Edward Ackad Ph.D, Maria Kontoyianni
First Review Of Equilibrium Landscape Of Ingress/Egress Channels And Gating Residues Of The Cytochrome P450 3a4, Edward Ackad Ph.D, Maria Kontoyianni
SIUE Faculty Research, Scholarship, and Creative Activity
The review document and changes made to "Equilibrium Landscape of Ingress/Egress Channels and Gating Residues of the Cytochrome P450 3A4".
Long-Term Stability Of Ferri-/Ferrocyanide As An Electroactive Component For Redox Flow Battery Applications: On The Origin Of Apparent Capacity Fade, Eric M. Fell, Diana De Porcellinis, Yan Jing, Valeria Gutierrez-Venegas, Thomas Y. George, Roy G. Gordon, Sergio Granados-Focil, Michael Aziz
Long-Term Stability Of Ferri-/Ferrocyanide As An Electroactive Component For Redox Flow Battery Applications: On The Origin Of Apparent Capacity Fade, Eric M. Fell, Diana De Porcellinis, Yan Jing, Valeria Gutierrez-Venegas, Thomas Y. George, Roy G. Gordon, Sergio Granados-Focil, Michael Aziz
Chemistry
We assess the suitability of potassium ferri-/ferrocyanide as an electroactive species for long-term utilization in aqueous organic redox flow batteries. A series of electrochemical and chemical characterization experiments was performed to distinguish between structural decomposition and apparent capacity fade of ferri-/ferrocyanide solutions used in the capacity-limiting side of a flow battery. Our results indicate that, in contrast with previous reports, no structural decomposition of ferri-/ferrocyanide occurs at tested pH values as high as 14 in the dark or in diffuse indoor light. Instead, an apparent capacity fade takes place due to a chemical reduction of ferricyanide to ferrocyanide, via chemical …
Designing Metal-Organic Supercontainers For Functional Applications: From Selective Anion Binding To Surface Enhanced Raman Scattering, Kriti Chitrakar
Designing Metal-Organic Supercontainers For Functional Applications: From Selective Anion Binding To Surface Enhanced Raman Scattering, Kriti Chitrakar
Dissertations and Theses
Synthetic container molecules that emulate biological structures and feature well-defined nanocavities have attracted tremendous interest among supramolecular chemists due to their promising potentials in ion recognition, catalysis, and chemical sensing. Our laboratory has developed a new class of container molecules, namely, metal-organic supercontainers (MOSCs), which feature both endo and exo cavities suitable for binding guest molecules. The overarching theme of this thesis was to use synthetic manipulations to modify the chemical structure and enhance the functional application of MOSCs in two specific areas, anion binding and chemical sensing. For the application of anion binding, we have designed and synthesized a …
Water-Soluble Palladium, Copper, And Nickel Catalysts And Their Formation In Ligand-Free Suzuki-Miyaura Cross-Coupling Reactions, Priya Karna
Theses and Dissertations--Chemistry
Transition-metal catalyzed Suzuki-Miyaura (SM) cross coupling is a powerful synthetic method for constructing carbon-carbon and carbon-heteroatom bonds in designing organic compounds, agrochemicals, pharmaceuticals, and precursors for materials. However, the nature of catalysis and identity of the transition metal catalysts used in these reactions remain under debate or unknown. This dissertation reports the studies of three metals: Pd, Cu, and Ni. Pd-nanocluster catalysts and their formation in ligand-free SM reactions with Pd(II) nitrate as a precatalyst was investigated. The catalysts are water-soluble neutral Pd tetramer and trimer in their singlet electronic states as identified by UV-Vis absorption spectroscopy and are formed …
Metagenomic Insights Into Landfill Intermediate Cover Soil Microbiomes And Their Potential Role In Mitigating Greenhouse Gas Emissions, Peyton Lienhart
Metagenomic Insights Into Landfill Intermediate Cover Soil Microbiomes And Their Potential Role In Mitigating Greenhouse Gas Emissions, Peyton Lienhart
Graduate College Dissertations and Theses
Landfills are the third largest source of anthropogenic methane emissions in the United States and have also been found to produce nitrous oxide, an even more potent greenhouse gas than methane. Intermediate cover soils (ICS) play a major role in reducing greenhouse gas emissions from landfills because they harbor methanotrophic bacteria that degrade methane. However, the extent of methanotrophs in landfill cover soils and the roles of microbial communities in these complex ecosystems is only beginning to be understood. Additionally, the role of ICS in producing nitrous oxide is poorly understood. While methane consumption is a desirable trait, genes involved …
Investigating The Mechanical Properties Of Different Types Of Phospholipids, A Molecular Dynamics Study, Atena Farhangian
Investigating The Mechanical Properties Of Different Types Of Phospholipids, A Molecular Dynamics Study, Atena Farhangian
Graduate College Dissertations and Theses
Around 54.4 million ) of the US population is suffering from arthritis. It is one of the main contributors to activity limitations and is imposing a great cost on society. The main reason behind the lack of a cure for arthritis is the incomplete understanding of the lubrication of the joint. A critical question is the role of phospholipids, especially their mechanical role in relation to cartilage and other molecules present in synovial fluid.
The main type of load a joint like a knee endures is compressive forces. The present work is an effort to better understand the molecular-level interactions …
One-Pot Enol Silane Formation-Allylation Of Ketones Promoted By Trimethylsilyl Trifluoromethanesulfonate, Elizabeth D. Heafner, Xuechun Lin, Alexa Connors, Hanyu Zhong, R. J. Coyle, Yiqi Liu, C. Wade Downey
One-Pot Enol Silane Formation-Allylation Of Ketones Promoted By Trimethylsilyl Trifluoromethanesulfonate, Elizabeth D. Heafner, Xuechun Lin, Alexa Connors, Hanyu Zhong, R. J. Coyle, Yiqi Liu, C. Wade Downey
Chemistry Faculty Publications
Ketones and related substrate classes undergo enol silane formation in the presence of trimethylsilyl trifluoromethanesulfonate (TMSOTf) and triethylamine, reaction conditions that also promote the in situ ionization of allyl propionates. When these two processes are performed in one pot, allylation of the ketone is observed in high yields. Aldehydes, esters, and thioesters also serve as enol silane precursors under these conditions. When unsymmetrical allyl cations are employed, regioselectivity depends upon the electronic and steric properties of the substituents.
Silica Particles Convert Thiol-Containing Molecules To Disulfides, Yangjie Li, Kurt W. Kolasinski, Richard N. Zare
Silica Particles Convert Thiol-Containing Molecules To Disulfides, Yangjie Li, Kurt W. Kolasinski, Richard N. Zare
Chemistry Faculty Publications
Synthetic amorphous silica is a common food additive and a popular cosmetic ingredient. Mesoporous silica particles are also widely studied for their potential use in drug delivery and imaging applications because of their unique properties, such as tunable pore sizes, large surfaces areas, and assumed biocompatibility. Such a nanomaterial, when consisting of pure silicon dioxide, is generally considered to be chemically inert, but in this study, we showed that oxidation yields for different compounds were facilitated by simply incubating aqueous solutions with pure silica particles. Three thiol-containing molecules, L-cysteine, glutathione, and D-penicillamine, were studied separately, and it was found that …
Investigation Of Factors Affecting Reverse-Phase High Performance Liquid Chromatography, Rida A. Syed
Investigation Of Factors Affecting Reverse-Phase High Performance Liquid Chromatography, Rida A. Syed
AUCTUS: The Journal of Undergraduate Research and Creative Scholarship
This study focused on the application of reverse-phase high-performance liquid chromatography (RP-HPLC). RP-HPLC is used for the purification of organic molecules, including pharmaceuticals, natural products, and proteins. We developed a modified version of a United States Pharmacopeia (USP) procedure to separate and purify the chemical components found in Excedrin tablets. The goal was to investigate the relationship between retention time (Tr) and the capacity factor (k') of solutes. By varying the composition of the mobile phase and stationary phase, we experimentally determined the capacity factor of acetaminophen (APAP), caffeine, and aspirin. Our results show that the capacity factor (k') of …
Selective Melt Recrystallization Of Acetaminophen Polymorphs Through Environmental Control, Eleanor Lowe
Selective Melt Recrystallization Of Acetaminophen Polymorphs Through Environmental Control, Eleanor Lowe
Honors Theses
Polymorphism is the ability for a molecule to crystallize into multiple different structures in the solid state. The preparation of one polymorph over another is practically important to pharmaceutical development, as properties of polymorphs can vary and impact the drug delivery method. Polymorph outcomes depend heavily on the environment in which the crystal is nucleated, or initially formed. Acetaminophen, the active ingredient in Tylenol, is one example of a polymorphic compound. Here we use acetaminophen as a model system to better understand primary factors controlling polymorph selection and interconversion. We hypothesize a specific atmospheric environmental factor plays large role in …
Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev
Green And Non-Green Extraction Of Eugenol From Cloves Using Steam Distillation, Bek Yuldashbaev
Science University Research Symposium (SURS)
Eugenol is commonly found in many plants such as cloves. It is one of the most used natural anesthetics in dentistry. Indonesia is one of the places indigenous to clove trees. Its people take advantage of the pain numbing properties in cloves to aid their tooth pain. The extraction of eugenol itself can be performed through steam distillation. With the process of distillation, the steam carries the oils extracted from the clove buds and recondenses into a cloudy distillate containing polar and non-polar molecules. To separate the eugenol from the distillate, green and non-green solvents were used. The green solvent …
Surface Modification Of Carbon-Based Electrodes For Electrochemical Conversion Processes: Oxygen Reduction Reaction And Bicarbonate Conversion, Udari Shyamika Kodithuwakku Arachchige
Surface Modification Of Carbon-Based Electrodes For Electrochemical Conversion Processes: Oxygen Reduction Reaction And Bicarbonate Conversion, Udari Shyamika Kodithuwakku Arachchige
Theses and Dissertations--Chemistry
Oxygen reduction reaction (ORR) and conversion of bicarbonate into value-added chemicals are two significant electrochemical processes for energy storage and conversion. ORR is an important electrochemical reaction in fuel cells and metal-air batteries that provide power conversion and storage capacity, respectively, for portable electronics, and electric vehicles. However, the performance of catalysts (e.g., platinum-based) is critically limited by slow kinetics, inefficient four-electron pathway, and surface deactivation. This limited performance of platinum-based catalysts, the scarcity of platinum, and vulnerable supply chains for critical minerals require the development of alternative electrocatalysts now more than ever. Carbon-based materials possess several key properties that …
Computational Comparison Of Platinum, Base Metals, And Binary Intermetallic Compounds’ Efficiency In Hydrogenation Catalysis, Lauren M. Sayler
Computational Comparison Of Platinum, Base Metals, And Binary Intermetallic Compounds’ Efficiency In Hydrogenation Catalysis, Lauren M. Sayler
MSU Graduate Theses
In the petroleum industry, platinum is used as a catalyst in hydrogenation reactions during petroleum refining. Although platinum is extremely effective as a catalyst, it is expensive. This is an investigation into platinum and what characteristics make it so efficient, with the end goal of finding intermetallic compounds composed of base metals that are as effective in hydrogenation catalysis. The metals used in this investigation are Fe, Co, Ni, Mo, and W. The research performed here is computational and used to support and direct decisions made in the laboratory. The computation is first-principle, which is accomplished using Vienna Ab initio …
Impact Of Sample Conditions On Dna Phosphodiester Backbone Bi/Bii Conformational Equilibrium Dynamics, Autumn C. Pilarski
Impact Of Sample Conditions On Dna Phosphodiester Backbone Bi/Bii Conformational Equilibrium Dynamics, Autumn C. Pilarski
MSU Graduate Theses
DNA damage, such as single base lesions and mismatches, is highly prevalent within cells. If these DNA damage events are not repaired, they could lead to mutations and thus disease and cancer. Intricate repair mechanisms are in place to fix these damage events, one such being Base Excision Repair (BER) and associated enzyme: Thymine DNA Glycosylase (TDG). The first step of this repair process, recognition of the lesion by TDG, is not well understood. The following thesis presents results to better understand the fundamental biophysical question of how a DNA lesion within a mismatch context is recognized in a million …
Renewable Fuels: Molecular Dynamics Investigations Into Pyrolysis Of Methyl Linoleate, Elson Osakpolor Eguaosa
Renewable Fuels: Molecular Dynamics Investigations Into Pyrolysis Of Methyl Linoleate, Elson Osakpolor Eguaosa
MSU Graduate Theses
With the rapid depletion of the world’s supply of fossil fuels, especially petroleum products, petroleum prices have risen by approximately 800% between the 1970s and now and are projected to continue rising. It is also expected that the world’s consumption of energy will increase commensurate with its growing population. Although biodiesel is a good renewable alternative, it has its limitations including high production costs and poor low-temperature performance. We seek to improve conventional biodiesel with pyrolysis to produce low molecular-weight compounds with high energy densities. Understanding the pyrolysis path on the atomic scale is key as it will allow us …
Editorial: The Digitalization Of Neurology, Daniel B. Hier, Michael D. Carrithers, Jorge M. Rodríguez-Fernández, Benjamin Kummer
Editorial: The Digitalization Of Neurology, Daniel B. Hier, Michael D. Carrithers, Jorge M. Rodríguez-Fernández, Benjamin Kummer
Chemistry Faculty Research & Creative Works
No abstract provided.
Molecular Elucidation Of Reaction Mechanisms In Aluminum & Lithium Metal Batteries By Solid-State Nmr Spectroscopy And Electrochemical Methods, Leo W. Gordon
Dissertations and Theses
As society wrestles with the ever-growing climate consequences of burning fossil fuels, the increased demand for electric vehicles and renewable power generation mandates safe, sustainable, earth-abundant, low cost, and energy dense batteries. Different use cases will necessitate different types of batteries; for example, stationary storage systems prioritize minimal expense, whereas mobile applications like electric vehicles emphasize high energy densities. Aluminum and lithium metal batteries hold great promise for next-generation energy storage due to their large specific capacities (2980 mA h g-1, and 3860 mA h g-1, respectively). In particular, aluminum metal is low cost, has high …
Mechanism Of Pth Ca2+ Sensing On G-Protein Interactions With Pth1r, Difei Jiang
Mechanism Of Pth Ca2+ Sensing On G-Protein Interactions With Pth1r, Difei Jiang
Lawrence University Honors Projects
Parathyroid hormone 1 receptor (PTH1R) is a family-B GPCR that plays a crucial role in bone remodeling. Previous studies show extracellular Ca2+ is a positive allosteric modulator for one PTH1R ligand, parathyroid hormone (PTH), which is approved by US FDA to treat severe osteoporosis. Moreover, PTH residues E19 & E22 have shown to be involved in Ca2+ sensing. However, the effects of PTH Ca2+ sensing on intracellular G-protein binding are unknown. Here, we used FRET-based SPASM sensors to study the interaction between PTH1R and different Ga peptides. SPASM sensors, which are isolated in native HEK293T membranes through optimized protocol, contain …
Wetting Transition Of Texturized Surfaces, Jenna Stephens
Wetting Transition Of Texturized Surfaces, Jenna Stephens
Williams Honors College, Honors Research Projects
Building on previous research, this project aims to continue the investigation of the wettability of various liquids on a uniform, texturized surface. Different surface energies can impact the wettability of a surface. The surface can be hydrophilic, hydrophobic, or in between. The goal of this project is to research how features of texturized surfaces affect the wetting transition of water, oil, and a mixture of both. Additionally, this project aims to improve the quality of the 3D printed surfaces. The surfaces that will be studied are constructed using UV cured resin 3D printing and are made up of an array …
Global Minimum Search For The Largest Ge Cage Stabilized By A Single Interstitial Metal Atom, Alexis Kiefer
Global Minimum Search For The Largest Ge Cage Stabilized By A Single Interstitial Metal Atom, Alexis Kiefer
Williams Honors College, Honors Research Projects
Recent joint experimental and theoretical studies showed that the largest Ge cage-like cluster features 14 Ge atoms that encapsulate a single transition metal atom in the [Nb@Ge14]3- cluster. The next larger experimentally confirmed Ge cluster exhibiting a cage-like geometry was found to be viable only when stabilized by two transition metal atoms in the [Co2@Ge16]4- cluster. So, as of now, it is not clear whether a cage-like cluster made out of 15 Ge atom stabilized by a single transition metal is viable. Hence, the aim of this project is to find the …
H2(G) Production From Dimethylamine Borane By Cu0/Wo3 Nps Catalyst, Doaa Al-Hameedawi̇, Seda Karaboğa, İzzet Morkan
H2(G) Production From Dimethylamine Borane By Cu0/Wo3 Nps Catalyst, Doaa Al-Hameedawi̇, Seda Karaboğa, İzzet Morkan
Turkish Journal of Chemistry
Cu0 NPs supported on tungsten (VI) oxide (WO3) were in situ generated from the reduction of Cu2+ ions during dehydrogenation of dimethylamine borane (DMAB). The Cu0/WO3 NPs displayed tangible catalytic activity in H2 (g) releasing reaction and they were identified by using advanced techniques. Cu0/WO3 NPs were found as active catalyst providing one equiv. H2(g) per mole of DMAB. The results from TEM images display the formation of Cu0 NPs with an average particle size of 4.6 ± 1.0 nm on the surface of WO3. Moreover, Cu0/WO3 NPs with various metal loadings were prepared and tested as catalyst in dehydrogenation …
The Effect Of Metalation On Antimicrobial Piscidins Imbedded In Normal And Oxidized Lipid Bilayers, Ana Dreab, Craig A. Bayse
The Effect Of Metalation On Antimicrobial Piscidins Imbedded In Normal And Oxidized Lipid Bilayers, Ana Dreab, Craig A. Bayse
Chemistry & Biochemistry Faculty Publications
Metalation of the N-terminal Amino Terminal Cu(II)- and Ni(II)-binding (ATCUN) motif may enhance the antimicrobial properties of piscidins. Molecular dynamics simulations of free and nickelated piscidins 1 and 3 (P1 and P3) were performed in 3 : 1 POPC/POPG and 2.6 : 1 : 0.4 POPC/POPG/aldo-PC bilayers (POPC, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine: POPG, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoglycerol; aldo-PC, 1-palmitoyl-2-(9′-oxo-nonanoyl)-sn-glycero-3-phosphocholine) bilayer models. Nickel(II) binding decreases the conformation dynamics of the ATCUN motif and lowers the charge of the N-terminus to allow it to embed deeper in the bilayer without significantly changing the overall depth due to interactions of the charged half-helix …
The Future Of Alternative Energy? Simulating Methyl Stearate Pyrolysis Via Molecular Dynamic Processes, Sarah J. Adeoye
The Future Of Alternative Energy? Simulating Methyl Stearate Pyrolysis Via Molecular Dynamic Processes, Sarah J. Adeoye
MSU Graduate Theses
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 …
Global Oceanic Diazotroph Database Version 2 And Elevated Estimate Of Global N2 Fixation, Zhibo Shao, Yangchun Xu, Hua Wang, Weicheng Luo, Lice Wang, Yuhong Huang, Nona Sheila R. Agawin, Ayaz Ahmed, Mar Benavides, Mikkel Bentzon-Tilia, Ilana Berman-Frank, Hugo Berthelot, Isabelle C. Biegala, Mariana B. Bif, Antonio Bode, Sophie Bonnet, Deborah A. Bronk, Mark V. Brown, Lisa Campbell, Ya-Wei Luo
Global Oceanic Diazotroph Database Version 2 And Elevated Estimate Of Global N2 Fixation, Zhibo Shao, Yangchun Xu, Hua Wang, Weicheng Luo, Lice Wang, Yuhong Huang, Nona Sheila R. Agawin, Ayaz Ahmed, Mar Benavides, Mikkel Bentzon-Tilia, Ilana Berman-Frank, Hugo Berthelot, Isabelle C. Biegala, Mariana B. Bif, Antonio Bode, Sophie Bonnet, Deborah A. Bronk, Mark V. Brown, Lisa Campbell, Ya-Wei Luo
OES Faculty Publications
Marine diazotrophs convert dinitrogen (N2) gas into bioavailable nitrogen (N), supporting life in the global ocean. In 2012, the first version of the global oceanic diazotroph database (version 1) was published. Here, we present an updated version of the database (version 2), significantly increasing the number of in situ diazotrophic measurements from 13 565 to 55 286. Data points for N2 fixation rates, diazotrophic cell abundance, and nifH gene copy abundance have increased by 184 %, 86 %, and 809 %, respectively. Version 2 includes two new data sheets for the nifH gene copy abundance of non-cyanobacterial …