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Articles 1 - 30 of 556
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The Effect Of Metabolic Modulators On The Rate Of Steady State Water Exchange In S. Cerevisiae Grown In Chemostat Bioreactors, Samantha Mumford, Mark Woods, Johnathan Dutra
The Effect Of Metabolic Modulators On The Rate Of Steady State Water Exchange In S. Cerevisiae Grown In Chemostat Bioreactors, Samantha Mumford, Mark Woods, Johnathan Dutra
Student Research Symposium
Water transport across the lipid bilayer due to osmotic stress causes a change in intracellular volume over time. At isotonic equilibrium there is no change in cell volume and yet water exchange does not stop. Water molecules continue to exchange rapidly with those of the extracellular space. The rate constant for steady state water efflux (kio) can be measured using contrast enhanced magnetic resonance (MR) and the two-site exchange (2SX) model. kio is known to correlate with the cellular energy molecule ATP making it a probable biomarker for metabolic diseases such as cancer. Measurements of k …
Competing Supramolecular Forces: Boron Coordination Vs Π-Π Stacking, Sidhaesh A. Agarwal, Gonzalo Campillo-Alvarado, Nicholas Lutz, Jesus Daniel Loya, Eric W. Reinheimer
Competing Supramolecular Forces: Boron Coordination Vs Π-Π Stacking, Sidhaesh A. Agarwal, Gonzalo Campillo-Alvarado, Nicholas Lutz, Jesus Daniel Loya, Eric W. Reinheimer
Student Research Symposium
This study explores the impact of fluorination levels in azopyridine Lewis bases on their ability to direct the formation of B←N coordination adducts or cocrystals with phenylboronic ester. We hypothesize that the degree of fluorination can be used as a tool to control the outcome of supramolecular bonding competition, thus influencing complex self-assembly.
A series of azopyridines with varying degrees of fluorination were synthesized and reacted with phenylboronic ester. Their structures were analyzed using Hartree-Fock calculations, Hirshfeld surface analyses, and single crystal X-ray diffraction to assess the impact of fluorination on supramolecular interactions.
The study reveals that azopyridines with up …
Multiscale Variability Of Heavy Metals In A Western U.S. Snowpack, Kelsey Hefner
Multiscale Variability Of Heavy Metals In A Western U.S. Snowpack, Kelsey Hefner
Student Research Symposium
Natural and anthropogenically sourced particulates are deposited from the atmosphere to landscapes via dry and wet deposition, making frozen winter snowpack a natural archive of atmospheric elemental composition. Wildfires in the Western United States are increasing in extent, duration, and severity, especially in alpine regions. Severe fires remove forest canopy and can impact how atmospheric elements are dispersed and stored across snow-dominated watersheds. We evaluated Al, V, Cr, Mn, Ni, Cu, As, Zn, Se, Mo, Cd, and Pb concentrations in 394 winter snow core samples. We collected samples in 2019 and 2020 from a chronosequence of eight forests that burned …
Computationally Assisted Mechanistic Analysis Of The Protonolysis Of A Pt–Me Bond, Clement Dasilva
Computationally Assisted Mechanistic Analysis Of The Protonolysis Of A Pt–Me Bond, Clement Dasilva
Student Research Symposium
Mechanistic study of the protonolysis of (cod)PtMe2 could give insight into the activation of C-H bonds by platinum because it is the microscopic reverse reaction. Two possible mechanisms for the protonolysis of dimethyl platinum complexes have been proposed, with experimental and computational data supporting the single step, SE2, over the multistep, SE(ox) mechanism. New experimental work from our group supports a multi-step mechanism with multiple acid molecules. In this work, the SE2 mechanism as well as a proposed SE(ox) mechanism were computationally modeled with a single equivalent of acid, TFAH, and two equivalents using density functional theory. The modeled pathways …
Method Validation Of Metals In Environmental Soil Samples, Sofia Deangelis, Nana Nguyen
Method Validation Of Metals In Environmental Soil Samples, Sofia Deangelis, Nana Nguyen
Student Research Symposium
Vehicles are a major source of metal accumulation in terrestrial environments. Green infrastructure, such as bioswales, has been implemented as a way to mitigate this damage. However, there is a limited understanding of the processes that occur in these bioswales as few go back after implementation to identify areas in the bioswale with accumulation of pollutants. Inductively coupled mass spectrometry (ICP-MS) has the potential to be used in this type of study due to the machine’s high sensitivity and selectivity. However complications can arise while using the ICP-MS to characterize complex environmental samples. This study seeks to optimize microwave assisted …
Photocathodes From Aerobic Oxidation Of Tellurorhodamines, Amelia Jellison
Photocathodes From Aerobic Oxidation Of Tellurorhodamines, Amelia Jellison
Student Research Symposium
Contemporary dye-sensitized solar cells are far less efficient than silicon solar panels, therefore this project seeks to develop an improved dye sensitized photocathode. Tellurorhodamine dyes, including mesityl derivatives and tellurium black, have been chosen to increase efficiency through increased light harvesting. The photophysical and electrochemical properties of tellurorhodamines with varying structures are analyzed to quantify its efficiency to serve as a dye sensitized photo cathode. Dyes undergo aerobic oxidation facilitated by light, the absorption profile is obtained before and after. Mesityl derivatives are known to experience significant red-shifting following aerobic oxidation. At its base oxidation state, tellurium black experiences an …
Exploring The Potential Of Α-Aryl Substitution Of Gddota To Address Challenges Associated With Mri Contrast Agents., Charlene I. Kupara
Exploring The Potential Of Α-Aryl Substitution Of Gddota To Address Challenges Associated With Mri Contrast Agents., Charlene I. Kupara
Student Research Symposium
Gadolinium chelates have found widespread application as contrast agents in Magnetic Resonance Imaging (MRI) a cornerstone in modern medical diagnostics. In recent years two significant challenges have emerged to the use of Gd3+ chelates in MRI:
- The safety of these Gd3+-based agents, specifically related to the possible in vivo release of Gd3+.
- The environmental impact of anthropogenic Gd3+ pollution of surface waters arising from using contrast agents.
The escalating reports of Gd3+ presence in environmental matrices, and its adverse effects on marine life and human health, necessitate urgent intervention to mitigate consequential environmental …
Why Your Clothes Could Be Killing You: The Detection Of Bpa In Clothing Using Fluorescence Spectrophotometry, Bella Bevel
Why Your Clothes Could Be Killing You: The Detection Of Bpa In Clothing Using Fluorescence Spectrophotometry, Bella Bevel
Scholars Day Conference
Bisphenol-A, better known as BPA, is a carcinogenic compound found in many plastic-containing products due to its ability to add rigidity and strength to the plastic. However, BPA has been found in a wide variety of products not traditionally thought of as “plastic” including feminine hygiene products, printer receipts, and even clothing. Clothing containing a polyester/spandex blend, common in athletic wear, contains BPA, whereas traditional cotton clothing does not. Using flourospectroscopy, the presence of BPA in these types of clothing was confirmed, as well as measured over time. Strips of clothing containing polyester and spandex blends were submerged in a …
The Mental Health And Developmental Effects Of Bisphenol-A, Maryann Rettig
The Mental Health And Developmental Effects Of Bisphenol-A, Maryann Rettig
Scholars Day Conference
My directed study focuses on the mental health and developmental effects of bisphenol-A (BPA) on individuals in close contact with the chemical product. BPA is an organic chemical produced in large quantities that is used in the production of many polycarbonate plastics, feminine hygiene products, and epoxy resins that coat some metal food cans. Because of it being everywhere, BPA often leaches dermally and orally into the human body. The physical effects of BPA have been known and observed for years. However, its mental health effects specifically are not as commonly known. Therefore, in my directed study I would be …
Enhancing The Antibiotic Properties Of Meropenem With Hydrophobic Ion-Pairing, Krishna Paul, Bidhan Barua, Lark Perez
Enhancing The Antibiotic Properties Of Meropenem With Hydrophobic Ion-Pairing, Krishna Paul, Bidhan Barua, Lark Perez
STEM Student Research Symposium Posters
Antibiotic Resistance is one of the most urgent global threat to humankind. Most antibiotics are hydrophilic in nature while proteins and peptides are lipophilic. Enhancing lipophilicity of the antibiotic by HIP can increase solubility of the drugs in human and improve antibacterial effect as well. We hypothesized that formation of a hydrophobic drug complex would change the physical properties of the antibiotic and enhance its antimicrobial activity.
Identifying V. Cholerae's Autoinducer To Manipulate Its Quorum Sensing, Jason X. Tran, Daniel Palacio, Lark Perez
Identifying V. Cholerae's Autoinducer To Manipulate Its Quorum Sensing, Jason X. Tran, Daniel Palacio, Lark Perez
STEM Student Research Symposium Posters
• Vibrio cholerae is a gram-negative anaerobic bacteria that inhabits brackish or saltwater areas.
• Causative agent of cholera, which results in acute diarrhea and dehydration.
• Uses quorum sensing, a cell density dependent method of communicating with other bacteria and regulating its entire lifecycle of infection. (gene expression of functions such as biofilm formation, virulence, and more)
• Vibrio cholerae determines bacterial population based on the secretion of several signaling molecules called an autoinducer from others of their kind.
• Upon adequate accumulation, they can deactivate their virulence and begin to leave their host’s body to continue infecting other …
Thermal Destabilization Of Azurin By Fatty Acid Ionic Liquids, Brandon Burrell, Austin K. Clark, Achismita Dutta, Esha Prajapati, Sierra Cottle, Andrew Ogungimi, Justin Burrell, Timothy D. Vaden
Thermal Destabilization Of Azurin By Fatty Acid Ionic Liquids, Brandon Burrell, Austin K. Clark, Achismita Dutta, Esha Prajapati, Sierra Cottle, Andrew Ogungimi, Justin Burrell, Timothy D. Vaden
STEM Student Research Symposium Posters
Azurin is a mixed-structure redox protein involved in bacterial denitrification. Previous studies have shown that azurin is destabilized by imidazolium chloride ionic liquids (ImCl ILs) that can form micelles in aqueous solution, likely by micellar encapsulation. In these ImCl ILs the micelles form from the imidazolium cations. A relatively new class of ionic liquids is fatty acid ionic liquids (FAILs), in which the anion is a fatty acid. In FAILs micelles can form from the fatty acid anions. This presentation presents the results of a thermal unfolding study of azurin in the presence of FAILs in solution. The FAILs tetramethylguanidinium …
Characterization Of Lysozyme Stability In The Presence Of Lonic Liquids, Madison Scott, Ramzy T.M. Malak, Daniel Obeid, Chun Wu, Timothy Vaden, Gregory A. Caputo
Characterization Of Lysozyme Stability In The Presence Of Lonic Liquids, Madison Scott, Ramzy T.M. Malak, Daniel Obeid, Chun Wu, Timothy Vaden, Gregory A. Caputo
STEM Student Research Symposium Posters
Hen egg white lysozyme (Lyz) has been a well studied model system in biophysical investigations for decades. The protein is a small, primarily helical, highly soluble protein that is both commercially available and easily accessible. lonic liquids (ILs), often referred to as room-temperature ionic liquids or molten salts, have garnered great interest in the last 15-20 years as potential components of electrochemical devices or applications. More recently, the biocompatibility of these molecules has developed an increased interest in the field, especially considering that some IL species can stabilize biomolecular structures while other ILs strongly destabilize 3D structures. In this study, …
Myoglobin Unfolding And Protein Stability With Tmg, Eustratios R. Kossis, Dimitra N. Kossis, Kristen Rass, Taha Shahbaz, Gregory A. Caputo, Timothy Vaden
Myoglobin Unfolding And Protein Stability With Tmg, Eustratios R. Kossis, Dimitra N. Kossis, Kristen Rass, Taha Shahbaz, Gregory A. Caputo, Timothy Vaden
STEM Student Research Symposium Posters
Myoglobin, a widely studied protein in biophysics, is a small, helical, and highly soluble protein that has been investigated for decades. Its heme prosthetic group facilitates easy analysis of its folding state through absorbance spectroscopy. Ionic liquids (ILs), particularly room-temperature ionic liquids or molten salts, have gained significant attention in the past 15- 20 years for their potential use in electrochemical devices. Recently, their biocompatibility has become a focal point in research, given that certain IL species can either stabilize or destabilize biomolecular structures. This study employs absorbance and fluorescence spectroscopy to examine how amino acid-based ILs, specifically tetramethyl guanidine …
Allylic Rearrangement In Nbs Bromination Reactions, Devann J. Harris, Bryanna L. Wichner
Allylic Rearrangement In Nbs Bromination Reactions, Devann J. Harris, Bryanna L. Wichner
Research & Creative Achievement Day
The allylic bromination of alkenes using N-bromosuccinimide (NBS) is a useful and selective substitution reaction, in which bromine radicals abstract hydrogen from the alkene to form a resonance-stabilized radical intermediate. However, allylic rearrangement can be a consequence of the intermediate's two resonance structures. Some literature sources imply that NBS bromination gives only one major product from asymmetrical alkenes, e.g., 2-hexene and 2-heptene, even when they should form equally stable but non-equivalent resonance contributors. In this research, bromination of trans-2-hexene was performed using cyclohexane as the solvent, and the products were analyzed using GC-MS to determine if only one product, 4-bromo-2-hexene, …
Ruthenium Metal Complex Interaction With Dna Of Tumor Cells, Danielle N. Baca
Ruthenium Metal Complex Interaction With Dna Of Tumor Cells, Danielle N. Baca
Research & Creative Achievement Day
In this project, computational chemistry was used to dock variations of (p-Cymene)Ru(curcuminato)chloro (Ru-cur) in DNA strands to find the best affinity for potential anti-cancer drugs. The Ru-cur complex has been chosen as the metal anticancer complex because it is not very toxic, selective for cancer cells, and has ligand exchange kinetics similar to those of platinum. First the geometry of the Ru-cur complex was optimized via a quantum mechanical method. The GAMESS program was used for this portion. Once the geometry of the complex was optimized, docking programs were explored to find the best docking poses and binding energies for …
Analysis Of Rabies Neutralizing Antibody Titers In The Feline Population Of Winona County, Olivia M. Hendrickson, Jensen K. Christensen
Analysis Of Rabies Neutralizing Antibody Titers In The Feline Population Of Winona County, Olivia M. Hendrickson, Jensen K. Christensen
Research & Creative Achievement Day
Canine rabies vaccination, vital for both animal and human health, is well studied and understood. In contrast, our understanding of feline rabies vaccinations, particularly with those that have a compromised immune status, is much less comprehensive. The purpose of this project is to enhance our current knowledge of feline vaccination states through a surveillance study on the feline rabies antibody titer in Winona County's cat population. Specifically, we seek to explore the relationship between an individual feline's immune status and their active anti-rabies antibody titer. To achieve this, we conducted a bicinchoninic acid (BCA) protein assay to determine the total …
Investigating Chemotherapeutic Resistance In Glioblastoma Multiforme A, Katrina M. Yaeger
Investigating Chemotherapeutic Resistance In Glioblastoma Multiforme A, Katrina M. Yaeger
Research & Creative Achievement Day
Glioblastoma (GBM) multiforme A is a highly variable, grade four cancer that affects the glial tissues of the brain and spinal cord. Cancer cells, including GBM, have purine metabolism markers that make them distinguishable for biochemical research, marked through the rate limiting step in the conversion of inosine monophosphate (IMP) to guanosine triphosphate (GTP), catalyzed by inosine monophosphate dehydrogenase (IMPDH). Cell cultures for both 3T3 cells, used to study normal cell cycles, and GBM cells were grown and replicated, until sufficient cells existed to extract the desired proteins. These proteins were then run through a gel electrophoresis apparatus, followed by …
Making Mutations In A Vrk1 Plasmid, Madeline M. Thoemke
Making Mutations In A Vrk1 Plasmid, Madeline M. Thoemke
Research & Creative Achievement Day
One of the most common types of mutations is point mutations, which change a single amino acid, sometimes by changing a single nucleotide. These mutations can cause the protein to fold incorrectly or change how it interacts with other molecules. This research used biochemistry methods to prepare mutated proteins to simulate their behavior in the body. Mutations in the protein VRK1 were chosen for this project. VRK1 is present in human tissues and influences cellular division and RNA processing.VRK1 mutations P79L, A66G, and R219Ihave been linked to neurological disorders and were chosen for this project. Our procedure used biochemistry techniques …
Developing An Enzymatic Assay For Wine Analysis, Taylor M. Pagel
Developing An Enzymatic Assay For Wine Analysis, Taylor M. Pagel
Research & Creative Achievement Day
During malolactic fermentation (MLF), malic acid is fermented into lactic acid by the bacteria Oenococcus oeni. During this process, malic acid is then converted into lactic acid, converting sour flavors in the wine to buttery. Here we present an enzymatic method to determine the malate/lactate ratio of wines during MLF. Fresh juice samples had detectable amounts of malate, while wine samples had mixed results, as expected. MLF was initiated in a freshly fermented pre-MLF sample of St. Pepin wine and a decreasing trend of malate over time was detected, as predicted. This was compared to increasing levels of lactate in …
Late 3d Transition Metal Complexes Of Bis(Diphenylphosphino)Methane Dichalcogenide Ligands, Connor J. Lehner
Late 3d Transition Metal Complexes Of Bis(Diphenylphosphino)Methane Dichalcogenide Ligands, Connor J. Lehner
Research & Creative Achievement Day
Complexes of bis(diphenylphosphino)methane dichalcogenides (dppmE2, E = O, S, Se) have been prepared for Co(II), Ni(II) and Cu(II) by combination with respective nitrate salts. These ligands are relatively unexplored for 1st row transition metals – with no existing reports of metal complexes for dppmSe2. All obtained complexes were paramagnetic precluding characterization by NMR spectroscopy. An array of methods have been employed to ascertain the structural and electronic forms of all obtained complexes as both tetrahedral and octahedral geometries, corresponding to systems with two or three ligands, respectively, are plausible. Additionally, Co(II) complexes, as d7 systems, could be found in either …
Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk
Hgs-3 The Influence Of A Tandem Cycling Program In The Community On Physical And Functional Health, Therapeutic Bonds, And Quality Of Life For Individuals And Care Partners Coping With Parkinson’S Disease, Leila Djerdjour, Jennifer L. Trilk
SC Upstate Research Symposium
Purpose Statement: Several studies have shown that aerobic exercise can have a positive impact on alleviating symptoms experienced by individuals with Parkinson's disease (PD). Despite this evidence, the potential benefits of exercise for both PD patients and their care partners (PD dyad) remain unexplored. This research project investigates the effectiveness, therapeutic collaborations, and physical outcomes of a virtual reality (VR) tandem cycling program specifically designed for PD dyads.
Methods: Following approval from the Prisma Health Institutional Review Board, individuals with PD were identified and screened by clinical neurologists. The pre-testing measures for PD dyads (N=9) included emotional and cognitive status …
Cpm-8 Europa Unveiled: A Multi-Wavelength Analysis, Trinity A. Ward, Michelle Deady
Cpm-8 Europa Unveiled: A Multi-Wavelength Analysis, Trinity A. Ward, Michelle Deady
SC Upstate Research Symposium
This study is an analysis of the compositional structure of Jupiter’s icy moon, Europa, by utilizing multi-wavelength spectroscopy. The objective of this study is to enhance our understanding of Europa’s compositional and potential biological characteristics.
Spectral data was obtained from various space missions and instruments. We are looking at imaging and spectroscopy-focused instruments RALPH, LORRI, LEISA, ALICE, and MVIC which were all part of the New Horizons spacecraft that launched in 2006. The data collected was from the Jupiter fly-by in February-March 2007.
This project sets the tone for the year with the upcoming Europa Clipper mission by NASA, set …
Unlocking Nature’S Code: Design Principles For Cooperativity In Multi-Electron Redox Processes, Mariona Garcia Dalmases, Alexis Telford, Courtney Young
Unlocking Nature’S Code: Design Principles For Cooperativity In Multi-Electron Redox Processes, Mariona Garcia Dalmases, Alexis Telford, Courtney Young
Undergraduate Research Conference
No abstract provided.
The Development Of An Electrochemistry Experiment For Analytical Chemistry, Kaitlin Hickman
The Development Of An Electrochemistry Experiment For Analytical Chemistry, Kaitlin Hickman
2024 Student Academic Showcase
The analytical chemistry course at Lindenwood University discusses the use of electrochemistry as part of the course curriculum. Much of the course content has practical lab experiments that teach the students the skills that they need if they enter the workforce as analytical chemists. The current lab curriculum does not have an experiment in electrochemistry. Dr. Delgado and Ms. Hickman are working on the redesign of an experiment that was intended for a physical chemistry class as a new lab that uses available technology and analytical techniques that can be written for the use in future semesters of the analytical …
Extraction Of Sandalwood Essential Oil: Isolating Α/Β-Santalol, Maeren Horton
Extraction Of Sandalwood Essential Oil: Isolating Α/Β-Santalol, Maeren Horton
Dr. Jay W. Boland Undergraduate Research Symposium
Sandalwood oil is a high-value essential oil extracted from the heartwood of East Indian Sandalwood (Santalum album) and Australian Sandalwood (Santalum Spicatum) and is prominent in numerous luxury perfume brands due to its exotic, versatile, and pleasant fragrance. α-Santalol, the main aromatic constituent in S. album and S. spicatum, exhibits anti-aging, antioxidant, anti-inflammatory, and potential anti-cancer properties, accounting for the oil’s medicinal and dermatologic applications. High demand of the oil resulted in excessive harvesting of sandalwood trees, necessitating a need to develop more efficient and sustainable extraction methods. This study investigates the efficiency of traditional extraction methods of sandalwood oil …
Commemorating Women Nobel Prize Laureates In Chemistry, Jordan Smith
Commemorating Women Nobel Prize Laureates In Chemistry, Jordan Smith
Arkansas Women in STEM Conference
In this review study we describe contributions of women chemists who earned a Nobel Prize in Chemistry, notably the most prestigious award in the field. Based on our analysis of data, the number of women Nobel laureates in Chemistry is increasing with time. However, women still are the minority group compared to men in a pool of Nobel Prize winners in Chemistry.
In the current study we also compared women’s representation in chemistry to women’s representation in two other science fields of a Nobel Prize award: (i) Physics and (ii) Physiology or Medicine. Based on our analysis, the numbers of …
Computer Aided Design Of Aromatic Foldamer Targeting Protein-Protein Interaction, Bamidele Towolawi
Computer Aided Design Of Aromatic Foldamer Targeting Protein-Protein Interaction, Bamidele Towolawi
Graduate Student and Postdoctoral Fellow Symposium
With the computational tools developed in our lab for accurate prediction of structures and solution dynamics of aromatic foldamers, we now target protein-protein interaction (PPI) by appending proteinogenic side chains on the external surfaces of the helical aromatic foldamers. Particularly, the activation of a regulatory protein NF-κB, a key player in the inflammatory response and cell proliferation, involves binding of NEMO (NF-κB Essential Modulator) with linear di-ubiquitin. In this study, we designed various sequences based on established protocols and investigated, by utilizing molecular dynamics (MD) simulations, their potential binding to di-ubiquitin, specifically targeting the NEMO binding interface. This study complements …
New Ways To Improve Dispersibility Of Nanotubes: Approaching From The Formation Of Silicon Nanoparticles By High Energy Reactive Ball Milling (Herbm) In Polar Solvents, Julie P. Vanegas, Yolanda V. Gutierrez, Joaquin Rivera, Juan García Jr.
New Ways To Improve Dispersibility Of Nanotubes: Approaching From The Formation Of Silicon Nanoparticles By High Energy Reactive Ball Milling (Herbm) In Polar Solvents, Julie P. Vanegas, Yolanda V. Gutierrez, Joaquin Rivera, Juan García Jr.
Research Symposium
Background: This research aims to synthesize stable silicon nanoparticles using different molar ratios of N-Cyclohexyl-2-pyrrolidone (CHP) and Silicon to demonstrate if there is any significance towards the production of effective nanotubes. To determine this, the synthesized nanoparticles will be characterized by scanning electron microscopy (SEM), UV visible absorption spectroscopy, and photoluminescence spectroscopy (PL).
Methods: 50 Mg of silicon wafer are added with differing ratios of ligand (CHP), 5mL of water, and 3 steel iron balls into a ball milling vial. Vials are then placed into a ball milling apparatus for 7 cycles or 3.5 hours. Once the cycles are complete, …
Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin
Mechanistic Investigation Of C—C Bond Activation Of Phosphaalkynes With Pt(0) Complexes, Roberto M. Escobar, Abdurrahman C. Ateşin, Christian Müller, William D. Jones, Tülay Ateşin
Research Symposium
Carbon–carbon (C–C) bond activation has gained increased attention as a direct method for the synthesis of pharmaceuticals. Due to the thermodynamic stability and kinetic inaccessibility of the C–C bonds, however, activation of C–C bonds by homogeneous transition-metal catalysts under mild homogeneous conditions is still a challenge. Most of the systems in which the activation occurs either have aromatization or relief of ring strain as the primary driving force. The activation of unstrained C–C bonds of phosphaalkynes does not have this advantage. This study employs Density Functional Theory (DFT) calculations to elucidate Pt(0)-mediated C–CP bond activation mechanisms in phosphaalkynes. Investigating the …