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Articles 3271 - 3300 of 33142
Full-Text Articles in Chemistry
The High Pressure Dependence Of X-Ray Induced Decomposition Of Cadmium Oxalate, Adrian F. Lua Sanchez, Petrika Cifligu, Marc Graff, Michael Pravica, Pradip K. Bhowmik, Changyong Park, Egor Evlyukhin
The High Pressure Dependence Of X-Ray Induced Decomposition Of Cadmium Oxalate, Adrian F. Lua Sanchez, Petrika Cifligu, Marc Graff, Michael Pravica, Pradip K. Bhowmik, Changyong Park, Egor Evlyukhin
Physics & Astronomy Faculty Research
The high proclivity of x rays to destabilize and distort molecular structures has been previously utilized in the synthesis of novel compounds. Here, we show that x-ray induced decomposition of cadmium oxalate induces chemical and structural transformations only at 0.5 and 1 GPa. Using x-ray diffraction and Raman spectroscopy, the synthesized product is identified as cadmium carbonate with cadmium oxalate remnants, which is stable under ambient conditions. At ambient and >1 GPa pressures, only degradation of the electronic density distribution is observed. The transformation kinetics are examined in terms of Avrami’s model, which demonstrates that despite the necessity of high …
Substrate Specificity In Abc Transporters Using The E. Coli Methionine Import System, John H. Guardado
Substrate Specificity In Abc Transporters Using The E. Coli Methionine Import System, John H. Guardado
Featured Student Work
ATP-binding cassette (ABC) transporters use the energy of ATP to move substrates across membranes against a concentration gradient. The role of ABC transporters is crucial in several essential cellular functions and mutations in ABC transporters in humans have been linked to several conditions, including cystic fibrosis, liver disease, and diabetes. Despite their central roles in homeostasis, the mechanism of ABC transporters remains poorly understood. Our research is focused on studying an ABC importer in E. coli, as a model system, to examine the mechanism of substrate specificity and transport. The bacterial methionine import system consists of a membrane-embedded transporter, MetNI, …
Photocurable Ionized Vinylimidazole Liquid Salt For Antibacterial Application, Gina Park, Lisa Ahlberg, Robert Zdor
Photocurable Ionized Vinylimidazole Liquid Salt For Antibacterial Application, Gina Park, Lisa Ahlberg, Robert Zdor
Celebration of Research and Creative Scholarship
There has been an increasing demand for antibacterial dental composite as it can prevent the biofilm formation and the adhesion of bacteria after the treatment causing the consequential cavities. Previous study explored the antibacterial activity of the heterogenous mixture of heterocyclic polymer and resin. It showed limitations as the mixture did not show antibacterial activity since the mixture could only contain a small amount of heterocyclic polymer within the resin due to its inconvenience of shaping and low miscibility. To overcome this limitation, this research focused on synthesizing heterocyclic antibacterial monomer liquid salt and curing it with UV light to …
Determining The Ideal Concentrations Of Ethanol And Propylene Glycol In Ethosomes For Transdermal Delivery Of Vitamin D3, Rebecca Conner
Determining The Ideal Concentrations Of Ethanol And Propylene Glycol In Ethosomes For Transdermal Delivery Of Vitamin D3, Rebecca Conner
Harrisburg University Research Symposium: Highlighting Research, Innovation, & Creativity
Vitamin D3 is an important chemical in the human body, however, many Americans have low levels of this vitamin. There are plenty of oral supplementations for Vitamin D3 deficiency, but those of older age and busy schedules may struggle to meet the minimum requirement. A recently developed ethosomal transmembrane delivery system (Touitou, 2000), similar to liposomes but also containing ethanol, allows users to apply a gel dermally and have the desired drug or active ingredient reach the bloodstream faster. However, there is considerable variation in the concentration of ethanol and permeation enhancers used. Using an affordable method to …
Unraveling Vibrational Spectral Signatures Of Strongly Hydrogen-Bonded Protons Via Development Of Novel Gas-Phase Ultrafast Spectroscopic Methods, Liangyi Chen
Arts & Sciences Graduate Student Theses and Dissertations
Proton-coupled electron transfer (PCET) is a vital process in chemical and biochemical catalysis, and it has attracted broad interest in mechanistic studies. Current research efforts, however, have focused on the electron transfer side of this process and are carried out in solution-phase systems. A series of model complexes that mimic the PCET reaction center of Tyr−His pair in Photosystem II were first synthesized and characterized in the ground-electronic state with cryogenic-ion vibrational spectroscopy (CIVS). Each model showed signatures of strong intramolecular hydrogen bonds between the PCET donor and acceptor motifs, resulting in very red shifted and diffuse OH stretch transitions. …
Structural Design And Synthesis Of Growth Factor Receptor Binding Protein 2 (Grb2) Stabilizing Small Molecule, Mahfuzul Hasan
Structural Design And Synthesis Of Growth Factor Receptor Binding Protein 2 (Grb2) Stabilizing Small Molecule, Mahfuzul Hasan
Theses and Dissertations
The growth factor receptor tyrosine kinase (RTK) family is a potent inducer of cellular growth. Ligand binding to cognate receptors on plasma membrane induces receptor dimerization and activation, which in turn recruits intracellular molecules for downstream signal transduction. A key signaling pathway activated by growth factor (GF) receptors is the Ras signaling cascade that ultimately leads to cell proliferation. Activation of RTKs leads to the recruitment of adapter protein Grb2, which is constitutively bound to the mammalian homolog of drosophila son of sevenless (SOS), and a guanine exchange factor (GEF) for Ras. The recruitment of the Grb2-SOS complex by activated …
Deciphering The Role Of Molecular Interactions On The Interfacial Structure Of Aqueous And Non-Aqueous Interfaces, Dodangodage Ishara Indunil Senadheera, D I. Senadheera
Deciphering The Role Of Molecular Interactions On The Interfacial Structure Of Aqueous And Non-Aqueous Interfaces, Dodangodage Ishara Indunil Senadheera, D I. Senadheera
LSU Doctoral Dissertations
The study focused on "Deciphering the role of molecular interactions on the interfacial structure of aqueous and non-aqueous interfaces" holds immense significance in diverse scientific and industrial domains. Our primary objective is to unravel the intricate web of molecular interactions occurring at the boundaries between aqueous and non-aqueous phases. The research presented here spans a wide scope, encompassing applications in microelectromechanical systems in the semiconductor industry, energy-efficient membranes for electrochemical separations, and renewable energy storage systems. Molecular dynamics simulations were conducted in collaboration with experimental studies, specifically atomic force microscopy, to achieve insights at the molecular level.The first project centered …
Investigating The Roles Of Active Site Residues In Mycobacterium Tuberculosis Indole-3-Glycerol Phosphate Synthase, A Potential Target For Antitubercular Agents, David W. Konas, Sarah Cho, Oshane D. Thomas, Maryum M. Bhatti, Katherine Leon Hernandez, Cinthya Moran, Hedda Booter, Thomas Candela, Joseph Lacap, Paige Mcfadden, Savannah Van Den Berg, Alyssa M. Welter, Ashley Peralta, Cheryl A. Janson, Jaclyn Catalano, Nina M. Goodey
Investigating The Roles Of Active Site Residues In Mycobacterium Tuberculosis Indole-3-Glycerol Phosphate Synthase, A Potential Target For Antitubercular Agents, David W. Konas, Sarah Cho, Oshane D. Thomas, Maryum M. Bhatti, Katherine Leon Hernandez, Cinthya Moran, Hedda Booter, Thomas Candela, Joseph Lacap, Paige Mcfadden, Savannah Van Den Berg, Alyssa M. Welter, Ashley Peralta, Cheryl A. Janson, Jaclyn Catalano, Nina M. Goodey
Department of Chemistry and Biochemistry Faculty Scholarship and Creative Works
Mycobacterium tuberculosis drug resistance is emerging and new drug targets are needed. Tryptophan biosynthesis is necessary for M. tuberculosis replication and virulence. Indole-3-glycerol phosphate synthase (IGPS) catalyzes a step in M. tuberculosis tryptophan biosynthesis and has been suggested as a potential anti-infective target, but our understanding of this enzyme is limited. To aid in inhibitor design and gain a greater mechanistic picture of this enzyme, there is a need to understand the roles of active site amino acids in ligand binding and catalysis. In this work, we explored the roles of conserved active site amino acids Glu57, Lys59, Lys119, Glu168, …
Cationic Frontal Polymerization: Front Kinetics, Effects Of Additives, And Applications, Brecklyn R. Groce
Cationic Frontal Polymerization: Front Kinetics, Effects Of Additives, And Applications, Brecklyn R. Groce
LSU Doctoral Dissertations
Cationic frontal polymerization broadens the potential application of frontal polymerization by allowing for use of monomers such as epoxies and vinyl ethers. In this work, the effects of monomer and initiator composition and additives including fillers on front kinetics, along with applications of cationic frontal polymerization were investigated.
Using a radical-induced cationic frontal polymerization (RICFP) method with a superacid generating salt and a thermal radical initiator, the addition of vinyl ethers to epoxy formulations was studied, where an increase of front velocity was seen with increase of divinyl ether to epoxy ratio. Other aspects of vinyl ether systems, such as …
Corrosion Related To The Nuclear Waste Containers, Ali Ebrahimzadeh Pilehrood
Corrosion Related To The Nuclear Waste Containers, Ali Ebrahimzadeh Pilehrood
Corrosion Research
The disposal of nuclear waste is a demanding topic, and the existing methods, whether it is temporary storage in spent fuel pools or storage in geological repositories, both face the risk of corrosion-related problems. Any failure in these storage methods can potentially lead to the release of radioactive materials into the environment. To avert such catastrophic scenarios, people in the nuclear industry consistently monitor and maintain these storage facilities endlessly and attempt to improve the plans designed to store nuclear waste. Here, I will examine the nuclear waste management organization (NWMO) plan in Canada. Choosing an appropriate location for the …
Corrosion Case Study On Pipeline, Kangze Ren
Corrosion Case Study On Pipeline, Kangze Ren
Corrosion Research
The Kashagan pipeline leaks were likely caused by sulfur stress corrosion cracking, a combined corrosion mechanism developed by the presence of high pressure, the high level of hydrogen sulfide(the main "ingredient" of sour gas), and poor metallurgical choice. Improper welding and poor metallurgical examination were blamed for causing the leaking issue. The purpose of the current review is to raise the alarm about the inappropriate corrosion management of Kashagan oil production and its societal and environmental consequences.
Carbodiimide And Isocyanate Hydroboration By A Cyclic Carbodiphosphorane Catalyst, Ben A. Janda, Julie A. Tran, Daniel K. Chang, Gabriela C. Nerhood, O. Maduka Ogba, Allegra L. Liberman-Martin
Carbodiimide And Isocyanate Hydroboration By A Cyclic Carbodiphosphorane Catalyst, Ben A. Janda, Julie A. Tran, Daniel K. Chang, Gabriela C. Nerhood, O. Maduka Ogba, Allegra L. Liberman-Martin
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
We report hydroboration of carbodiimide and isocyanate substrates catalyzed by a cyclic carbodiphosphorane catalyst. The cyclic carbodiphosphorane outperformed the other Lewis basic carbon species tested, including other zerovalent carbon compounds, phosphorus ylides, an N-heterocyclic carbene, and an N-heterocyclic olefin. Hydroborations of seven carbodiimides and nine isocyanates were performed at room temperature to form N-boryl formamidine and N-boryl formamide products. Intermolecular competition experiments demonstrated the selective hydroboration of alkyl isocyanates over carbodiimide and ketone substrates. DFT calculations support a proposed mechanism involving activation of pinacolborane by the carbodiphosphorane catalyst, followed by hydride transfer and B−N bond formation.
Interactions Of Lewis Acids And Carbonyls In The Presence Of Ligands Or Additives: How Solution Behavior Differs And The Implication On Catalytic Systems, Sophi Rose Todtz
Interactions Of Lewis Acids And Carbonyls In The Presence Of Ligands Or Additives: How Solution Behavior Differs And The Implication On Catalytic Systems, Sophi Rose Todtz
Dissertations
Lewis acids have proven extremely valuable to the field of organic synthesis. Their diverse application in reactions of carbonyl-containing substrates has caused a multitude of efforts towards characterization of solution interactions between Lewis bases and Lewis acids. Though Lewis initially described a 1:1 interaction between one acid and one base, our lab has previously employed in-situ IR spectroscopy to characterize 2:1, 3:1, and 4:1 solution structures under catalytic conditions. These insights have played a critical role in our understanding of catalyst behavior in carbonyl-containing systems, allowing us to describe byproduct inhibition in the carbonyl-olefin metathesis mechanism. The research presented in …
Fortifying Iot Against Crimpling Cyber-Attacks: A Systematic Review, Usman Tariq, Irfan Ahmed, Muhammad Attique Khan, Ali Kashif Bashir
Fortifying Iot Against Crimpling Cyber-Attacks: A Systematic Review, Usman Tariq, Irfan Ahmed, Muhammad Attique Khan, Ali Kashif Bashir
Karbala International Journal of Modern Science
The rapid growth and increasing demand for Internet of Things (IoT) devices in our everyday lives create exciting opportunities for human involvement, data integration, and seamless automation. This fully interconnected ecosystem considerably impacts crucial aspects of our lives, such as transportation, healthcare, energy management, and urban infrastructure. However, alongside the immense benefits, the widespread adoption of IoT also brings a complex web of security threats that can influence society, policy, and infrastructure conditions. IoT devices are particularly vulnerable to security violations, and industrial routines face potentially damaging vulnerabilities. To ensure a trustworthy and robust security framework, it is crucial to …
New Quantum Genetic Algorithm Based On Constrained Quantum Optimization, Mohammed R. Almasaoodi, Abdulbasit M. A. Sabaawi, Sara El Gaily, Sándor Imre
New Quantum Genetic Algorithm Based On Constrained Quantum Optimization, Mohammed R. Almasaoodi, Abdulbasit M. A. Sabaawi, Sara El Gaily, Sándor Imre
Karbala International Journal of Modern Science
In the past decades, many quantum algorithms have been developed. The main obstacle that prevents the widespread implementation of these algorithms is the small size of the available quantum computer in terms of qubits. Blind Quantum Computation (BQC) holds the promise of handling this issue by delegating computation to quantum remote devices. Here, we introduce a novel Constrained Quantum Genetic Algorithm (CQGA) that selects the optimum extreme (minimum or maximum) value of a constrained goal function (or a vast unsorted database) with very low computational complexity. Since the convergence speed to the optimal solution for the Constrained Classical Genetic Algorithm …
Machine Learning‑Assisted Low‑Dimensional Electrocatalysts Design For Hydrogen Evolution Reaction, Jin Li, Naiteng Wu, Jian Zhang, Hong‑Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang
Machine Learning‑Assisted Low‑Dimensional Electrocatalysts Design For Hydrogen Evolution Reaction, Jin Li, Naiteng Wu, Jian Zhang, Hong‑Hui Wu, Kunming Pan, Yingxue Wang, Guilong Liu, Xianming Liu, Zhenpeng Yao, Qiaobao Zhang
Department of Chemistry: Faculty Publications
Efficient electrocatalysts are crucial for hydrogen generation from electrolyzing water. Nevertheless, the conventional "trial and error" method for producing advanced electrocatalysts is not only cost-ineffective but also time-consuming and labor-intensive. Fortunately, the advancement of machine learning brings new opportunities for electrocatalysts discovery and design. By analyzing experimental and theoretical data, machine learning can effectively predict their hydrogen evolution reaction (HER) performance. This review summarizes recent developments in machine learning for low-dimensional electrocatalysts, including zero-dimension nanoparticles and nanoclusters, one-dimensional nanotubes and nanowires, two-dimensional nanosheets, as well as other electrocatalysts. In particular, the effects of descriptors and algorithms on screening low-dimensional electrocatalysts …
Neuronal Nadph Oxidase Is Required For Neurite Regeneration Of Aplysia Bag Cell Neurons, S.M. Sabbir Alam, Yuichiro Watanabe, Brooke L. Steeno, Soumyajit Dutta, Halie A. Szilagyi, Alexander Wei, Daniel M. Suter
Neuronal Nadph Oxidase Is Required For Neurite Regeneration Of Aplysia Bag Cell Neurons, S.M. Sabbir Alam, Yuichiro Watanabe, Brooke L. Steeno, Soumyajit Dutta, Halie A. Szilagyi, Alexander Wei, Daniel M. Suter
Department of Chemistry Faculty Publications
NADPH oxidase (Nox), a major source of reactive oxygen species (ROS), is involved in neurodegeneration after injury and disease. Nox is expressed in both neuronal and non-neuronal cells and contributes to an elevated ROS level after injury. Contrary to the well-known damaging effect of Nox-derived ROS in neurodegeneration, recently a physiological role of Nox in nervous system development including neurogenesis, neuronal polarity, and axonal growth has been revealed. Here, we tested a role for neuronal Nox in neurite regeneration following mechanical transection in cultured Aplysia bag cell neurons. Using a novel hydrogen peroxide (H2O2)-sensing dye, 5′-(p-borophenyl)-2′-pyridylthiazole pinacol ester (BPPT), we …
Recent Advances In Crispr/Cas9-Assisted Gene Therapy, Apeksha Srivastava, Shikha Chauhan, Vishal Ahuja
Recent Advances In Crispr/Cas9-Assisted Gene Therapy, Apeksha Srivastava, Shikha Chauhan, Vishal Ahuja
Karbala International Journal of Modern Science
CRISPR/Cas9 (Clustered regularly interspaced short palindromic repeats) is an exponentially growing tool with wide-spread applications in therapeutics like gene modifications that focus on altering the hereditary material to repair or eliminate any defective gene-causing diseases like cancer, AIDS (Acquired immunodeficiency syndrome), etc. It also includes the identification of the target sequence with the help of sgRNA followed by the substitution of a malfunction-ing gene with a normal version. It offers high efficiency, specificity, and post-gene-editing efficacy, but have also some off-target impressions, and immunogenic effects. The contribution of CRISPR/Cas9 has already been proved primarily in in-vitro studies using animal germ …
Optical, Structural, And Electrochemical Properties Of P3ht:Y6 Photoactive Layer For Organic Photovoltaics, Hassan Tarikhum B., Furqan Almyahi, Basil Ali
Optical, Structural, And Electrochemical Properties Of P3ht:Y6 Photoactive Layer For Organic Photovoltaics, Hassan Tarikhum B., Furqan Almyahi, Basil Ali
Karbala International Journal of Modern Science
Recently, organic photovoltaics (OPV) have emerged as a promising technology for environmentally friendly energy production. Achieving high performance in OPV requires the discovery of novel compounds. This article aims to study the optical, structural, electrochemical, and electrical properties of a P3HT:Y6 blend. The UV-visible spectra of the blend provided insight into how composition affects the optoelectronic properties of OPV devices. The optimised P3HT:Y6 ratio (0.6:1) resulted in the largest redshift and the highest absorption intensity. Raman and X-ray diffraction tests showed low aggregation and low crystallinity of the polymer P3HT as Y6 content increased. In the OPV devices, the best …
Estimation Of Water Quality Of Dikhu River Of Nagaland Through A Combination Of Water Quality Index And Principal Component Analysis Techniques., Lanuyanger Longchar, Wati Temjen, Khikeya Semy, Wati Lemla
Estimation Of Water Quality Of Dikhu River Of Nagaland Through A Combination Of Water Quality Index And Principal Component Analysis Techniques., Lanuyanger Longchar, Wati Temjen, Khikeya Semy, Wati Lemla
Karbala International Journal of Modern Science
Monitoring the physico-chemical attributes of water is essential for determining water quality. The present study explores the effect of various anthropogenic factors on the quality of Dikhu River, Nagaland. Water samples from three sampling stations were compared against three standards: Indian Council of Medical Research, Bureau of Indian Standards, and World Health Organization. Although all parameters were within the permissible limits, the Water Quality Index categorized all sites during the rainy season as "poor quality", highlighting anthropogenic impacts. A principal component analysis created a Minimum Data Set (MDS) explaining 100%, 93.27%, and 96.26% of the total variance for the three …
Phytochemical Constituent And Antioxidant Activity Evaluation Of Red Seaweed Eucheuma Sp., Ade Arsianti
Phytochemical Constituent And Antioxidant Activity Evaluation Of Red Seaweed Eucheuma Sp., Ade Arsianti
Indonesian Journal of Medical Chemistry and Bioinformatics
Oxidative stress is a condition in which there is an imbalance between production of free radicals and protective response via antioxidant system. There are endogenous and exogenous antioxidants, however as age increases, there is a reduction in endogenous antioxidant, thus the search for potential exogenous antioxidants which could be derived from natural resources are needed. Indonesia is a megabiodiversity country which has more than 30,000 species of plants and animals. Red seaweed Eucheuma sp. is one of marine macroalgae species which shows potent biological activities. This study aims to determine the phytochemical constituent and to evaluate the antioxidant activity of …
Scope And Mechanism Of The Ruthenium-Catalyzed Deaminative Coupling Reaction Of Enones With Amines Via Regioselective CΑ–CΒ Bond Cleavage, Marat R. Talipov, Dulanjali S. Thennakoon, Chae S. Yi
Scope And Mechanism Of The Ruthenium-Catalyzed Deaminative Coupling Reaction Of Enones With Amines Via Regioselective CΑ–CΒ Bond Cleavage, Marat R. Talipov, Dulanjali S. Thennakoon, Chae S. Yi
Chemistry Faculty Research and Publications
A highly regioselective C–C bond cleavage method of enones has been devised from the ruthenium-catalyzed deaminative coupling reaction with simple amines. The analogous catalytic coupling reaction of enones with anilines has led to a regioselective Cα–Cβ bond cleavage of enones in forming N-alkylanilines and 2,4-disubstituted quinolines. The reaction profile study showed the formation of a β-aminoimine intermediate prior to the C–C cleavage product formation. A Hammett plot from the reaction of (E)-2-octen-4-one with a series of para-substituted benzylamines established a strong promotional effect by an electron-donating group (ρ = −0.77 ± 0.1). The …
Ab Initio Quantum Scattering Calculations And A New Potential Energy Surface For The Hcl(X¹Σ+)-O2( X 3 Σ G − ) System: Collision-Induced Line Shape Parameters For O2-Perturbed R(0) 0-0 Line In H35cl, Artur Olejnik, Hubert Jóźwiak, Maciej Gancewski, Ernesto Quintas-Sánchez, Richard Dawes, Piotr Wcisło
Ab Initio Quantum Scattering Calculations And A New Potential Energy Surface For The Hcl(X¹Σ+)-O2( X 3 Σ G − ) System: Collision-Induced Line Shape Parameters For O2-Perturbed R(0) 0-0 Line In H35cl, Artur Olejnik, Hubert Jóźwiak, Maciej Gancewski, Ernesto Quintas-Sánchez, Richard Dawes, Piotr Wcisło
Chemistry Faculty Research & Creative Works
The Remote Sensing of Abundance and Properties of HCl—the Main Atmospheric Reservoir of Cl Atoms that Directly Participate in Ozone Depletion—is Important for Monitoring the Partitioning of Chlorine between "Ozone-Depleting" and "Reservoir" Species. Such Remote Studies Require Knowledge of the Shapes of Molecular Resonances of HCl, Which Are Perturbed by Collisions with the Molecules of the Surrounding Air. in This Work, We Report the First Fully Quantum Calculations of Collisional Perturbations of the Shape of a Pure Rotational Line in H35Cl Perturbed by an Air-Relevant Molecule [As the First Model System We Choose the R(0) Line in HCl Perturbed by …
Investigating Rare Genetic Variants Of Unknown Significance In Ldha, Animesh Dali, Brennan Jensen, Olivia Lockette, Duyen Nguyen
Investigating Rare Genetic Variants Of Unknown Significance In Ldha, Animesh Dali, Brennan Jensen, Olivia Lockette, Duyen Nguyen
Annual Student Research Poster Session
The exponential expansion and advancement of genetic sequencing has revealed the molecular basis of many genetic diseases. However, many genetic mutations are still classified as variants of unknown significance (VUS). Our lab focused on eleven missense variants in Lactate Dehydrogenase A (LDHA), an enzyme vital in anaerobic respiration. The intent with our research is to produce data on the kinetic functionality of wild type LDHA and compare this to its mutants of unknown significance. This data, supplemented with the structural information of the mutants can help reduce the ambiguity in the diagnosis of genetic disorders involving the LDHA enzyme. Currently, …
Investigating Sucrose And D-Trehalose In Aot Reverse Micelles, Delaney Collier, Bridget L. Gourley
Investigating Sucrose And D-Trehalose In Aot Reverse Micelles, Delaney Collier, Bridget L. Gourley
Annual Student Research Poster Session
Reverse micelles are nanosized structures that encapsulate small water pools and allow us to investigate the fundamental interactions of small organic molecules in nanoconfinement. The behavior of small organic molecules, sometimes referred to as osmolytes, differs in bulk solution and confinement. Because reverse micelles are a good model for biological nanoconfinement, investigating osmolytes in reverse micelle systems can help us to better understand the role they play in biological systems. Optical spectroscopy such as UV-Vis, Fluorescence, and Red Edge Excitation (REES) was used to probe the environment of the reverse micelles. Three small organic molecules were studied: a monosaccharide, d-glucose, …
Gaxin2-Xo3 Surface Pyramids Interaction With Formaldehyde: Thermodynamic And Sensing Analysis, Mudar Ahmed Abdulsattar
Gaxin2-Xo3 Surface Pyramids Interaction With Formaldehyde: Thermodynamic And Sensing Analysis, Mudar Ahmed Abdulsattar
Karbala International Journal of Modern Science
GaxIn2-xO3 surface pyramids' electronic structures are investigated using density functional theory, including dispersion corrections. Application of GaxIn2-xO3 surface pyramids as a gas sensor for formaldehyde is also performed and compared with experimental findings. These findings show that the energy gap of these pyramids follows closely with the bulk values. The energy gap increases between the two limits, In2O3 and Ga2O3. Applying GaxIn2-xO3 surface pyramids as a gas sensor uses transition state theory formalism. Thermodynamic quantities such as activation Gibbs energy, enthalpy, and entropy are needed for temperature-dependent calculations. A comparison of sensor response which is proportional to reaction rate as …
Substituent Effects And Mechanistic Insights On The Catalytic Activities Of (Tetraarylcyclopentadienone)Iron Carbonyl Compounds In Transfer Hydrogenations And Dehydrogenations, Bryn K. Werley, Xintong Hou, Evan P. Bertonazzi, Anthony Chianese, Timothy W. Funk
Substituent Effects And Mechanistic Insights On The Catalytic Activities Of (Tetraarylcyclopentadienone)Iron Carbonyl Compounds In Transfer Hydrogenations And Dehydrogenations, Bryn K. Werley, Xintong Hou, Evan P. Bertonazzi, Anthony Chianese, Timothy W. Funk
Chemistry Faculty Publications
(Cyclopentadienone)iron carbonyl compounds are catalytically active in carbonyl/imine reductions, alcohol oxidations, and borrowing hydrogen reactions, but the effect of cyclopentadienone electronics on their activity is not well established. A series of (tetraarylcyclopentadienone)iron tricarbonyl compounds with varied electron densities on the cyclopentadienone were prepared, and their activities in transfer hydrogenations and dehydrogenations were explored. Additionally, mechanistic studies, including kinetic isotope effect experiments and modifications to substrate electronics, were undertaken to gain insights into catalyst resting states and turnover-limiting steps of these reactions. As the cyclopentadienone electron density increased, both the transfer hydrogenation and dehydrogenation rates increased. A catalytically relevant, trimethylamine-ligated iron …
Modification Of Thermally Activated Delayed Fluorescence Emitters Comprising Acridan– Pyrimidine Moieties For Efficient Sky-Blue To Greenish-Blue Oleds, Yi-Zhen Li, Hsuan-Chi Liang, Chia-Hsun Chen, Ching-Huang Chiu, Bo-Yen Lin, Jake A. Tan, Jiun-Haw Lee, Tien-Lung Chiu, Man-Kit Leung
Modification Of Thermally Activated Delayed Fluorescence Emitters Comprising Acridan– Pyrimidine Moieties For Efficient Sky-Blue To Greenish-Blue Oleds, Yi-Zhen Li, Hsuan-Chi Liang, Chia-Hsun Chen, Ching-Huang Chiu, Bo-Yen Lin, Jake A. Tan, Jiun-Haw Lee, Tien-Lung Chiu, Man-Kit Leung
Chemistry Faculty Publications
Thermally activated delayed fluorescence (TADF) is a promising approach to harvest triplet excitons and achieve high-performance organic light-emitting diodes (OLEDs) for displays. In this study, we synthesized two new TADF emitters, 4Ac25CzPy and 4Ac35CzPy, featuring acridan–pyrimidine–carbazole moieties. Remarkably, a slight modification in the carbazole group position enables precise control of luminous color, resulting in emissions at 483 nm and 494 nm for 4Ac25CzPy and 4Ac35CzPy, respectively, in the electroluminescent device. Both compounds exhibit small energy difference between their singlet and triplet states (DEST) of 0.14 eV and 0.15 eV, confirming their TADF characteristics. Notably, OLEDs utilizing 4Ac35CzPy achieve outstanding performance …
Multiexciton Quintet State Populations In A Rigid Pyrene-Bridged Parallel Tetracene Dimer, Liang-Chun Lin, Tanner Smith, Qianxiang Ai, Brandon K. Rugg, Chad Risko, John E. Anthony, Niels H. Damrauer, Justin C. Johnson
Multiexciton Quintet State Populations In A Rigid Pyrene-Bridged Parallel Tetracene Dimer, Liang-Chun Lin, Tanner Smith, Qianxiang Ai, Brandon K. Rugg, Chad Risko, John E. Anthony, Niels H. Damrauer, Justin C. Johnson
UK CARES Faculty Publications
The multiexciton quintet state, 5 TT, generated as a singlet fission intermediate in pairs of molecular chromophores, is a promising candidate as a qubit or qudit in future quantum information science schemes. In this work, we synthesize a pyrene-bridged parallel tetracene dimer, TPT, with an optimized interchromophore coupling strength to prevent the dissociation of 5 TT to two decorrelated triplet (T1) states, which would contaminate the spin-state mixture. Long-lived and strongly spin-polarized pure 5 TT state population is observed via transient absorption spectroscopy and transient/pulsed electron paramagnetic resonance spectroscopy, and its lifetime is estimated to be >35 ms, with the …
Raman Spectral Cytopathology For Cancer Diagnostic Applications, Fiona Lyng, Damian Traynor, Isha Behl, Declan O'Dea, Hugh Byrne
Raman Spectral Cytopathology For Cancer Diagnostic Applications, Fiona Lyng, Damian Traynor, Isha Behl, Declan O'Dea, Hugh Byrne
Books/Book Chapters
Histopathology is currently regarded as the “gold standard” patient sampling technique for cancer diagnostics. It involves extraction of a tissue sample, or biopsy, which is then sectioned and stained for evaluation by a pathologist [1]. Cytopathology, on the other hand, is the field of disease diagnosis at the cellular level [2], necessitating only the microscopic evaluation of samples of cells which can be harvested by less invasive methods such as exfoliative brushing, needle probes or from biofluids. Based on the identification of abnormalities in cellular appearance, cytopathology is currently widely used to aid in the screening of cancer, as well …