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Full-Text Articles in Chemistry

Purin-6-One Derivatives As Phosphodiesterase-2 Inhibitors, Wei Yuan, Xin-Yun Zhao, Xi Chen, Chang-Guo Zhan Jan 2016

Purin-6-One Derivatives As Phosphodiesterase-2 Inhibitors, Wei Yuan, Xin-Yun Zhao, Xi Chen, Chang-Guo Zhan

Pharmaceutical Sciences Faculty Publications

A series of purin-6-one derivatives were synthesized, and their in vitro inhibitory activity against phosphodiesterase-2 (PDE2) was evaluated by using a fluorescence polarization assay. Three compounds, that are, 2j, 2p, and 2q, showed significant inhibitory activity against PDE2 with IC50 values of 1.73, 0.18, and 3.43 μM, respectively. Structure-activity relationship (SAR) analysis was performed to explore the relationship between the chemical structures of these compounds and their inhibitory activity. Compounds 2j, 2p, and 2q were further selected for molecular docking study. The docking results suggested that these ligands bind with hydrophobic pockets of …


The Nobel Prize In Chemistry 2015: Exciting Discoveries In Dna Repair By Aziz Sancar, David K. Orren Jan 2016

The Nobel Prize In Chemistry 2015: Exciting Discoveries In Dna Repair By Aziz Sancar, David K. Orren

Toxicology and Cancer Biology Faculty Publications

On October 7, 2015, the Nobel Prize in Chemistry for 2015 was awarded to three deserving scientists for their pioneering research on DNA repair. Tomas Lindahl was recognized for studies that uncovered the inherent instability of DNA as well as the mechanism of the base excision repair pathway, Paul Modrich for characterization of the mismatch repair pathway, and Aziz Sancar for mechanistic elucidation of the nucleotide excision repair (NER) pathway. For me, the announcement of these awards in my area of research was extremely gratifying, particularly so because Aziz was my mentor during my Ph.D. studies that examined the steps …


Toxicity Of Engineered Nanomaterials To Plant Growth Promoting Rhizobacteria, Ricky W. Lewis Jan 2016

Toxicity Of Engineered Nanomaterials To Plant Growth Promoting Rhizobacteria, Ricky W. Lewis

Theses and Dissertations--Plant and Soil Sciences

Engineered nanomaterials (ENMs) have become ubiquitous in consumer products and industrial applications, and consequently the environment. Much of the environmentally released ENMs are expected to enter terrestrial ecosystems via land application of nano-enriched biosolids to agricultural fields. Among the organisms most likely to encounter nano-enriched biosolids are the key soil bacteria known as plant growth promoting rhizobacteria (PGPR). I reviewed what is known concerning the toxicological effects of ENMs to PGPR and observed the need for high-throughput methods to evaluate lethal and sublethal toxic responses of aerobic microbes. I addressed this issue by developing high-throughput microplate assays which allowed me …


The Optimization Of The Synthesis And Characterization Of Vapor-Liquid-Solid Grown Zno Nanowires, Silas R. Fiefhaus Jan 2016

The Optimization Of The Synthesis And Characterization Of Vapor-Liquid-Solid Grown Zno Nanowires, Silas R. Fiefhaus

Theses and Dissertations--Chemistry

ZnO nanowires are a promising material with great semiconductor properties. ZnO nanowires were prepared by carbothermal reduction and vapor-liquid-solid growth mechanism. Altering a variety of parameters ranging from mole to mole ratio of ZnO to C all the way to gas flow rate was examined. The nanowires were then characterized and their morphology examined under a SEM to observe what effect the parameter had on the morphology of the nanowires. From the experiments and the parameters tested it was observed that in order to produce the highest quality straight nanowires one should use a mole to mole ratio of ZnO …


Towards An Understanding Of The Role Of Cation Packaging On Dna Protection From Oxidative Damage, Cody E. Gay Jan 2016

Towards An Understanding Of The Role Of Cation Packaging On Dna Protection From Oxidative Damage, Cody E. Gay

Theses and Dissertations--Chemistry

In sperm chromatin, DNA exists in a highly condensed state reaching a final volume roughly twenty times that of a somatic nucleus. For the vast majority (>90%) of sperm DNA in mammals, somatic-like histones are first replaced by transition proteins which in turn are replaced by arginine-rich protamines. This near crystalline organization of the DNA in mature sperm is thought crucial for both the transport and protection of genetic information since all DNA repair mechanisms are shut down. Recent studies show that increased DNA damage is linked to dysfunctions in replacing histones with protamines resulting in mispackaged DNA. This …


Towards An Understanding Of Pharmacologically Induced Intracellular Changes In Nicotinic Acetylcholine Receptors: A Fluorescence Microscopy Approach, Ashley M. Loe Jan 2016

Towards An Understanding Of Pharmacologically Induced Intracellular Changes In Nicotinic Acetylcholine Receptors: A Fluorescence Microscopy Approach, Ashley M. Loe

Theses and Dissertations--Chemistry

Upregulation of nicotinic acetylcholine receptors (nAChRs) is a well-documented response to chronic nicotine exposure. Nicotinic acetylcholine receptors are pentameric ligand-gated ion channels consisting of alpha (α2-10) and beta (β2-4) subunits. Nicotine, an agonist of nAChRs, alters trafficking and assembly of some subtypes of nAChRs, leading to an increase in expression of high sensitivity receptors on the plasma membrane. These physiological changes in nAChRs are believed to contribute to nicotine addiction, although the mechanism of these processes has not been resolved. Recently, many studies have converged on the idea that nicotine induces upregulation by an intracellular mechanism. In this dissertation, expression …


Organometallic Materials: Ferroceno[C]Thiophenes And 1,2-Bisthienylmetallocenes, Surya R. Banks Jan 2016

Organometallic Materials: Ferroceno[C]Thiophenes And 1,2-Bisthienylmetallocenes, Surya R. Banks

Theses and Dissertations--Chemistry

Development of synthetic routes toward two general organometallic frameworks was undertaken. The first project involved synthetic attempts of substituted and unsubstituted ferroceno[c]thiophene while the second one was the synthesis of 1,2-dithienylmetallocenes. The long-term goal of this work is to lay the foundations for study of electronic, electrochromic, redox, and optical properties of thiophene-based materials integrated with organometallic systems such as ferrocene, ruthenocene and cymantrene. The synthetic pathway for the target molecule in the first project involved converting 1,2-bis(hydroxymethyl)ferrocene to 1,2-bis(thiouroniummethyl)ferrocene with thiourea under acidic conditions. Refluxing the salt in base followed by acidification resulted in 1,2-bis(mercaptomethyl)ferrocene, which is …


Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan Jan 2016

Understanding Electrical Conduction In Lithium Ion Batteries Through Multi-Scale Modeling, Jie Pan

Theses and Dissertations--Chemical and Materials Engineering

Silicon (Si) has been considered as a promising negative electrode material for lithium ion batteries (LIBs) because of its high theoretical capacity, low discharge voltage, and low cost. However, the utilization of Si electrode has been hampered by problems such as slow ionic transport, large stress/strain generation, and unstable solid electrolyte interphase (SEI). These problems severely influence the performance and cycle life of Si electrodes. In general, ionic conduction determines the rate performance of the electrode, while electron leakage through the SEI causes electrolyte decomposition and, thus, causes capacity loss. The goal of this thesis research is to design Si …


Design, Synthesis And Physicochemical Analysis Of Ruthenium(Ii) Polypyridyl Complexes For Application In Phototherapy And Nucleic Acid Sensing, Erin Melissa Wachter Jan 2016

Design, Synthesis And Physicochemical Analysis Of Ruthenium(Ii) Polypyridyl Complexes For Application In Phototherapy And Nucleic Acid Sensing, Erin Melissa Wachter

Theses and Dissertations--Chemistry

Current chemotherapeutics exhibit debilitating side effects as a result of their toxicity to healthy tissues. Reducing these side effects by developing chemotherapeutics with selectivity for cancer cells is an active area of research. Phototherapy is one promising modality for selective treatment, where drug molecules are “turned on” when irradiated with light, reducing damage to healthy tissues by spatially restricting the areas exposed to irradiation. A second approach to improve selectivity is to exploit the differences in cancerous versus healthy cells, such as increased metabolism and/or upregulation of cell surface receptors. Ruthenium(II) polypyridyl complexes are candidates for phototherapy due to their …


Towards Catalytic Oxidative Depolymerization Of Lignin, Justin K. Mobley Jan 2016

Towards Catalytic Oxidative Depolymerization Of Lignin, Justin K. Mobley

Theses and Dissertations--Chemistry

Lignin is one of the most abundant and underutilized biopolymers on earth. Primarily composed on three monolignol units (sinapyl, coniferyl, and p-coumaryl alcohol), lignin is formed through a radical pathway resulting in an assortment of linkages, of which the β-O-4 linkage is the most prevalent (up to 60% in some hardwood species). In planta, lignin plays an important role in water transport and in protecting plants from chemical and biological attack. Traditional attempts to depolymerize lignin have focused on the cleavage of β-O-4 linkages via thermal or reductive routes. However these pathways lead to low-value, unstable product mixtures. Moreover, …


The Development Of Colorimetric Assays To Determine The Identity And Frequency Of Specific Nucleobases In Dna Oligomers, Elizabeth Marie Thomas Jan 2016

The Development Of Colorimetric Assays To Determine The Identity And Frequency Of Specific Nucleobases In Dna Oligomers, Elizabeth Marie Thomas

Theses and Dissertations--Chemistry

Colorimetric methods combined with color-changing chemical probes are widely used as simple yet effective tools for identifying and quantifying a wide variety of molecules in solution. For nucleic acids (DNA and RNA), perhaps the most commonly used colorimetric probe is potassium permanganate, which can be used to identify single-stranded pyrimidines (thymine and cytosine) in polymers. Unfortunately, permanganate is not an effective probe for identifying purines (adenine and guanine), especially in the presence of the more reactive pyrimidines. Therefore, robust methods for discriminating between the purines remain elusive, thereby creating a barrier toward developing more complex colorimetric applications. In this dissertation, …


Using Conventional And In Situ Transmission Electron Microscopy Techniques To Understand Nanoscale Crystallography, Bethany M. Hudak Jan 2016

Using Conventional And In Situ Transmission Electron Microscopy Techniques To Understand Nanoscale Crystallography, Bethany M. Hudak

Theses and Dissertations--Chemistry

Transmission electron microscopy (TEM) is a powerful tool for studying solidstate crystalline systems. With the advances in aberration correction, monochromation, and in situ capabilities, these microscopes are now more useful for addressing fundamental materials chemistry problems than ever before. This dissertation will illustrate the ways in which I have been using high-resolution imaging and in situ heating in the TEM during my Ph.D. research to investigate unique solid state chemistry questions.

This dissertation will focus on four unique crystal systems: thermoelectric skutterudite crystals, vapor-liquid-solid (VLS) grown nanowires, and hafnium dioxide nanorods. Although these systems are very different from one another, …


Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier Dec 2015

Optical-Optical Double Resonance, Laser Induced Fluorescence, And Revision Of The Signs Of The Spin-Spin Constants Of The Boron Carbide (Bc) Free Radical, Fumie X. Sunahori, Ramya Nagarajan, Dennis J. Clouthier

Chemistry Faculty Publications

The cold boroncarbide free radical (BC X  4Σ) has been produced in a pulsed discharge free jet expansion using a precursor mixture of trimethylborane in high pressure argon. High resolution laser induced fluorescencespectra have been obtained for the B  4ΣX4Σ and E  4Π–X4Σ band systems of both 11BC and 10BC. An optical-optical double resonance (OODR) scheme was implemented to study the finer details of both band systems. This involved pumping a single rotational level of the B state with one laser and then …


Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks Dec 2015

Crystal Structure Of (E)-13-(Pyrimidin-5-Yl)Parthenolide, Shobanbabu Bommagani, Narsimha Reddy Penthala, Sean Parkin, Peter A. Crooks

Chemistry Faculty Publications

The title compound, C19H22N2O3, {systematic name (1aR,4E,7aS,8E,10aS,10bR)-1a,5-dimethyl-8-[(pyrimidin-5-yl)­methylid­ene]-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclo­deca­[1,2-b]furan-9(1aH)-one} was obtained from the reaction of parthenolide [systematic name (1aR,7aS,10aS,10bR,E)-1a,5-dimethyl-8-methyl­ene-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclodeca­[1,2-b]furan-9(1aH)-one] with 5-bromo­pyrimidine under Heck reaction conditions, and was identified as an E isomer. The mol­ecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened …


Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian Nov 2015

Solution-Printed Organic Semiconductor Blends Exhibiting Transport Properties On Par With Single Crystals, Muhammad R. Niazi, Ruipeng Li, Er Qiang Li, Ahmad R. Kirmani, Maged Abdelsamie, Qingxiao Wang, Wenyang Pan, Marcia M. Payne, John E. Anthony, Detlef-M. Smilgies, Sigurdur T. Thoroddsen, Emmanuel P. Giannelis, Aram Amassian

Chemistry Faculty Publications

Solution-printed organic semiconductors have emerged in recent years as promising contenders for roll-to-roll manufacturing of electronic and optoelectronic circuits. The stringent performance requirements for organic thin-film transistors (OTFTs) in terms of carrier mobility, switching speed, turn-on voltage and uniformity over large areas require performance currently achieved by organic single-crystal devices, but these suffer from scale-up challenges. Here we present a new method based on blade coating of a blend of conjugated small molecules and amorphous insulating polymers to produce OTFTs with consistently excellent performance characteristics (carrier mobility as high as 6.7 cm2V−1s−1, low threshold …


The Nicotine Metabolite, Cotinine, Alters The Assembly And Trafficking Of A Subset Of Nicotinic Acetylcholine Receptors, Ashley M. Fox, Faruk H. Moonschi, Christopher I. Richards Oct 2015

The Nicotine Metabolite, Cotinine, Alters The Assembly And Trafficking Of A Subset Of Nicotinic Acetylcholine Receptors, Ashley M. Fox, Faruk H. Moonschi, Christopher I. Richards

Chemistry Faculty Publications

Exposure to nicotine alters the trafficking and assembly of nicotinic receptors (nAChRs), leading to their up-regulation on the plasma membrane. Although the mechanism is not fully understood, nicotine-induced up-regulation is believed to contribute to nicotine addiction. The effect of cotinine, the primary metabolite of nicotine, on nAChR trafficking and assembly has not been extensively investigated. We utilize a pH-sensitive variant of GFP, super ecliptic pHluorin, to differentiate between intracellular nAChRs and those expressed on the plasma membrane to quantify changes resulting from cotinine and nicotine exposure. Similar to nicotine, exposure to cotinine increases the number of α4β2 receptors on the …


Comparison Crystal Structure Conformations Of Two Structurally Related Biphenyl Analogues: 4,4'-Bis[3-(Pyrrolidin-1-Yl)Prop-1-Yn-1-Yl]-1,1'-Biphenyl And 4,4'-Bis{3-[(S)-2-Methylpyrrolidin-1-Yl]Prop-1-Yn-1-Yl}-1,1'-Biphenyl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks Oct 2015

Comparison Crystal Structure Conformations Of Two Structurally Related Biphenyl Analogues: 4,4'-Bis[3-(Pyrrolidin-1-Yl)Prop-1-Yn-1-Yl]-1,1'-Biphenyl And 4,4'-Bis{3-[(S)-2-Methylpyrrolidin-1-Yl]Prop-1-Yn-1-Yl}-1,1'-Biphenyl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks

Chemistry Faculty Publications

The title compounds, C26H28N2, (I), and C28H32N2, (II), were designed based on the structure of the potent 910 nicotinic acetyl­choline receptor antagonist ZZ161C {1,1'-[[1,1'-biphen­yl]-4,4'-diylbis(prop-2-yne-3,1-di­yl)]bis­(3,4-di­methyl­pyridin-1-ium) bromide}. In order to improve the druglikeness properties of ZZ161C for potential oral administration, the title compounds (I) and (II) were prepared by coupling 4,4'-bis­(3-bromo­prop-1-yn-1-yl)-1,1'-biphenyl with pyrrol­idine, (I), and (S)-2-methyl­pyrrolidine, (II), respectively, in aceto­nitrile at room temperature. The asymmetric unit of (I) contains two half mol­ecules that each sit on sites of crystallographic inversion. As a result, the biphenyl ring systems in …


Comparison Of The Crystal Structures Of 4,4′-Bis­­[3-(4-Methyl­Piperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-Bi­Phenyl And 4,4′-Bis­­[3-(2,2,6,6-Tetra­Methyl­Piperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-Biphen­Yl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks Oct 2015

Comparison Of The Crystal Structures Of 4,4′-Bis­­[3-(4-Methyl­Piperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-Bi­Phenyl And 4,4′-Bis­­[3-(2,2,6,6-Tetra­Methyl­Piperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-Biphen­Yl, Anqi Wan, Narsimha Reddy Penthala, E. Kim Fifer, Sean Parkin, Peter A. Crooks

Chemistry Faculty Publications

As part of a comprehensive program to discover α9α10 nicotinic acetyl­choline receptor antagonists, the title compounds C30H36N2, (I), and C36H48N2, (II), were synthesized by coupling 4,4′-bis­(3-bromo­prop-1-yn-1-yl)-1,1′-biphenyl with 4-methyl­piperidine and 2,2,6,6-tetra­methyl­piperidine, respectively, in aceto­nitrile at room temperature. In compound (I), the biphenyl system has a twisted conformation with a dihedral angle of 26.57 (6)° between the two phenyl rings of the biphenyl moiety, while in compound (II), the biphenyl moiety sits on a crystallographic inversion centre so the two phenyl rings are exactly coplanar. The terminal piperidine rings in …


Heterogeneous Oxidation Of Catechol, Elizabeth A. Pillar, Ruixin Zhou, Marcelo I. Guzman Sep 2015

Heterogeneous Oxidation Of Catechol, Elizabeth A. Pillar, Ruixin Zhou, Marcelo I. Guzman

Chemistry Faculty Publications

Natural and anthropogenic emissions of aromatic hydrocarbons from biomass burning, agro-industrial settings, and fossil fuel combustion contribute precursors to secondary aerosol formation (SOA). How these compounds are processed under humid tropospheric conditions is the focus of current attention to understand their environmental fate. This work shows how catechol thin films, a model for oxygenated aromatic hydrocarbons present in biomass burning and combustion aerosols, undergo heterogeneous oxidation at the air–solid interface under variable relative humidity (RH = 0–90%). The maximum reactive uptake coefficient of O3(g) by catechol γO3 = (7.49 ± 0.35) × 10–6 occurs for …


Localization Length Scales Of Triplet Excitons In Singlet Fission Materials, Sam L. Bayliss, Karl J. Thorley, John E. Anthony, Hélène Bouchiat, Neil C. Greenham, Alexei D. Chepelianskii Sep 2015

Localization Length Scales Of Triplet Excitons In Singlet Fission Materials, Sam L. Bayliss, Karl J. Thorley, John E. Anthony, Hélène Bouchiat, Neil C. Greenham, Alexei D. Chepelianskii

Chemistry Faculty Publications

We measure the dielectric confinement length scales of triplet excitons in organic semiconductors by jointly measuring their microwave-domain electric and magnetic susceptibilities. We apply this technique to characterize triplet excitons in two singlet fission materials with distinct solid-state packing and correlate the extracted localization length scales with the role of the excitonic environment. By using the magnetic susceptibility simultaneously determined through our experiments, we compare the independently extracted dielectric and spin-spin localization length scales, highlighting the role of local anisotropy on the properties of excitonic triplet states.


Far From 'Easy' Spectroscopy With The 8Π And Griffin Spectrometers At Triumf-Isac, Steven W. Yates, P. E. Garrett, A. J. Radich, J. M. Allmond, C. Andreoiu, G. C. Ball, P. C. Bender, L. Bianco, V. Bildstein, H. Bidaman, R. Braid Sep 2015

Far From 'Easy' Spectroscopy With The 8Π And Griffin Spectrometers At Triumf-Isac, Steven W. Yates, P. E. Garrett, A. J. Radich, J. M. Allmond, C. Andreoiu, G. C. Ball, P. C. Bender, L. Bianco, V. Bildstein, H. Bidaman, R. Braid

Chemistry Faculty Publications

The 8π spectrometer, installed at the TRIUMF-ISAC facility, was the world's most sensitive γ-ray spectrometer dedicated to β-decay studies. A description is given of the 8π spectrometer and its auxiliary detectors including the plastic scintillator array SCEPTAR used for β-particle tagging and the Si(Li) array PACES for conversion electron measurements, its moving tape collector, and its data acquisition system. The recent investigation of the decay of 124Cs to study the nuclear structure of 124Xe, and how the β-decay measurements complemented previous Coulomb excitation studies, is highlighted, including the extraction of the deformation parameters for the excited 0+ …


Quantitative Analysis Of The Density Of Trap States At The Semiconductor-Dielectric Interface In Organic Field-Effect Transistors, Peter J. Diemer, Zachary A. Lamport, Yaochuan Mei, Jeremy W. Ward, Katelyn P. Goetz, Wei Li, Marcia M. Payne, Martin Guthold, John E. Anthony, Oana D. Jurchescu Sep 2015

Quantitative Analysis Of The Density Of Trap States At The Semiconductor-Dielectric Interface In Organic Field-Effect Transistors, Peter J. Diemer, Zachary A. Lamport, Yaochuan Mei, Jeremy W. Ward, Katelyn P. Goetz, Wei Li, Marcia M. Payne, Martin Guthold, John E. Anthony, Oana D. Jurchescu

Chemistry Faculty Publications

The electrical properties of organic field-effect transistors are governed by the quality of the constituting layers, and the resulting interfaces. We compare the properties of the same organic semiconductor film, 2,8-difluoro- 5,11-bis (triethylsilylethynyl) anthradithiophene, with bottom SiO2 dielectric and top Cytop dielectric and find a 10× increase in charge carrier mobility, from 0.17 ± 0.19 cm2 V−1 s−1 to 1.5 ± 0.70 cm2 V−1 s−1, when the polymer dielectric is used. This results from a significant reduction of the trap density of states in the semiconductor band-gap, and a decrease in the …


Enzyme Localization, Crowding, And Buffers Collectively Modulate Diffusion-Influenced Signal Transduction: Insights From Continuum Diffusion Modeling, Peter M. Kekenes-Huskey, Changsun Eun, J. A. Mccammon Sep 2015

Enzyme Localization, Crowding, And Buffers Collectively Modulate Diffusion-Influenced Signal Transduction: Insights From Continuum Diffusion Modeling, Peter M. Kekenes-Huskey, Changsun Eun, J. A. Mccammon

Chemistry Faculty Publications

Biochemical reaction networks consisting of coupled enzymes connect substrate signaling events with biological function. Substrates involved in these reactions can be strongly influenced by diffusion “barriers” arising from impenetrable cellular structures and macromolecules, as well as interactions with biomolecules, especially within crowded environments. For diffusion-influenced reactions, the spatial organization of diffusion barriers arising from intracellular structures, non-specific crowders, and specific-binders (buffers) strongly controls the temporal and spatial reaction kinetics. In this study, we use two prototypical biochemical reactions, a Goodwin oscillator, and a reaction with a periodic source/sink term to examine how a diffusion barrier that partitions substrates controls reaction …


Boron-Rich Benzene And Pyrene Derivatives For The Detection Of Thermal Neutrons, Henok A. Yemam, Adam Mahl, Unsal Koldemir, Tyler Remedes, Sean Parkin, Uwe Greife, Alan Sellinger Sep 2015

Boron-Rich Benzene And Pyrene Derivatives For The Detection Of Thermal Neutrons, Henok A. Yemam, Adam Mahl, Unsal Koldemir, Tyler Remedes, Sean Parkin, Uwe Greife, Alan Sellinger

Chemistry Faculty Publications

A synthetic methodology is developed to generate boron rich aromatic small molecules based on benzene and pyrene moieties for the detection of thermal neutrons. The prepared aromatic compounds have a relatively high boron content up to 7.4 wt%, which is important for application in neutron detection as 10B (20% of natural abundance boron) has a large neutron induced reaction cross-section. This is demonstrated by preparing blends of the synthesized molecules with fluorescent dopants in poly(vinyltoluene) matrices resulting in comparable scintillation light output and neutron capture as state-of-the art commercial scintillators, but with the advantage of much lower cost. The …


Secondary Organic Aerosol Formation From The Β-Pinene+No3 System: Effect Of Humidity And Peroxy Radical Fate, C. M. Boyd, J. Sanchez, L. Xu, Alexis J. Eugene, T. Nah, W. Y. Tuet, Marcelo I. Guzman, N. L. Ng Jul 2015

Secondary Organic Aerosol Formation From The Β-Pinene+No3 System: Effect Of Humidity And Peroxy Radical Fate, C. M. Boyd, J. Sanchez, L. Xu, Alexis J. Eugene, T. Nah, W. Y. Tuet, Marcelo I. Guzman, N. L. Ng

Chemistry Faculty Publications

The formation of secondary organic aerosol (SOA) from the oxidation of β-pinene via nitrate radicals is investigated in the Georgia Tech Environmental Chamber (GTEC) facility. Aerosol yields are determined for experiments performed under both dry (relative humidity (RH) < 2 %) and humid (RH = 50 % and RH = 70 %) conditions. To probe the effects of peroxy radical (RO2) fate on aerosol formation, "RO2 + NO3 dominant" and "RO2 + HO2 dominant" experiments are performed. Gas-phase organic nitrate species (with molecular weights of 215, 229, 231, and 245 amu, which likely correspond to molecular formulas of C10H17NO4, C10H15NO5, C10H17NO …


Crystal Structure Of Orthorhombic {Bis-[(Pyridin-2-Yl)Methyl](3,5,5,5-Tetrachloropentyl)Amine-Κ3N,N',N''}Chloridocopper(Ii) Perchlorate, Katherine A. Bussey, Annie R. Cavalier, Jennifer R. Connell, Margaret E. Mraz, Kayode D. Oshin, Tomislav Pintauer, Danielle L. Gray, Sean Parkin Jul 2015

Crystal Structure Of Orthorhombic {Bis-[(Pyridin-2-Yl)Methyl](3,5,5,5-Tetrachloropentyl)Amine-Κ3N,N',N''}Chloridocopper(Ii) Perchlorate, Katherine A. Bussey, Annie R. Cavalier, Jennifer R. Connell, Margaret E. Mraz, Kayode D. Oshin, Tomislav Pintauer, Danielle L. Gray, Sean Parkin

Chemistry Faculty Publications

In the title compound, [CuCl(C17H19Cl4N3)]ClO4, the CuII ion adopts a distorted square-planar geometry defined by one chloride ligand and the three nitro­gen atoms from the bis­[(pyridin-2-yl)meth­yl](3,5,5,5-tetra­chloro­pent­yl)amine ligand. The perchlorate counter-ion is disordered over three sets of sites with refined occupancies 0.0634 (17), 0.221 (16) and 0.145 (7). In addition, the hetero-scorpionate arm of the bis­[(pyridin-2-yl)meth­yl](3,5,5,5-tetra­chloro­pent­yl)amine ligand is disordered over two sets of sites with refined occupancies 0.839 (2) and 0.161 (2). In the crystal, weak Cu⋯Cl inter­actions between symmetry-related mol­ecules create a dimerization with a chloride occupying the apical …


Low-Voltage Polymer/Small-Molecule Blend Organic Thin-Film Transistors And Circuits Fabricated Via Spray Deposition, Simon Hunter, Jeremy W. Ward, Marcia M. Payne, John E. Anthony, Oana D. Jurchescu, Thomas D. Anthopoulos Jun 2015

Low-Voltage Polymer/Small-Molecule Blend Organic Thin-Film Transistors And Circuits Fabricated Via Spray Deposition, Simon Hunter, Jeremy W. Ward, Marcia M. Payne, John E. Anthony, Oana D. Jurchescu, Thomas D. Anthopoulos

Chemistry Faculty Publications

Organic thin-film electronics have long been considered an enticing candidate in achieving high-throughput manufacturing of low-power ubiquitous electronics. However, to achieve this goal, more work is required to reduce operating voltages and develop suitable mass-manufacture techniques. Here, we demonstrate low-voltage spray-cast organic thin-film transistors based on a semiconductor blend of 2,8-difluoro- 5,11-bis (triethylsilylethynyl) anthradithiophene and poly(triarylamine). Both semiconductor and dielectric films are deposited via successive spray deposition in ambient conditions (air with 40%–60% relative humidity) without any special precautions. Despite the simplicity of the deposition method, p-channel transistors with hole mobilities of >1 cm2/Vs are realized at −4 …


Dipole Strength Distributions From Higs Experiments, V. Werner, N. Cooper, P. M. Goddard, P. Humby, R. S. Ilieva, G. Rusev, J. Beller, C. Bernards, B. P. Crider, J. Isaak, J. H. Kelley, E. Kwan, B. Löher, E. E. Peters, N. Pietralla, C. Romig, D. Savran, M. Scheck, A. P. Tonchev, W. Tornow, Steven W. Yates, M. Zweidinger May 2015

Dipole Strength Distributions From Higs Experiments, V. Werner, N. Cooper, P. M. Goddard, P. Humby, R. S. Ilieva, G. Rusev, J. Beller, C. Bernards, B. P. Crider, J. Isaak, J. H. Kelley, E. Kwan, B. Löher, E. E. Peters, N. Pietralla, C. Romig, D. Savran, M. Scheck, A. P. Tonchev, W. Tornow, Steven W. Yates, M. Zweidinger

Chemistry Faculty Publications

A series of photon scattering experiments has been performed on the double-beta decay partners 76Ge and 76Se, in order to investigate their dipole response up to the neutron separation threshold. Gamma-ray beams from bremsstrahlung at the S-DALINAC and from Compton-backscattering at HIGS have been used to measure absolute cross sections and parities of dipole excited states, respectively. The HIGS data allows for indirect measurement of averaged branching ratios, which leads to significant corrections in the observed excitation cross sections. Results are compared to statistical calculations, to test photon strength functions and the Axel-Brink hypothesis


Descant And Β-Delayed Neutron Measurements At Triumf, V. Bildstein, P. E. Garrett, S. F. Ashley, G. C. Ball, L. Bianco, D. Bandyopadhyay, J. Bangay, B. P. Crider, G. Demand, G. Deng, I. Dillman, A. Finlay, A. B. Garnsworthy, G. Hackman, B. Hadinia, R. Krücken, K. G. Leach, J-P. Martin, Marcus T. Mcellistrem, C. J. Pearson, E. E. Peters, Francisco M. Prados-Estévez, A. Radich, F. Sarazin, C. Sumithrarachchi, C. E. Svensson, J. R. Vanhoy, J. Wong, Steven W. Yates May 2015

Descant And Β-Delayed Neutron Measurements At Triumf, V. Bildstein, P. E. Garrett, S. F. Ashley, G. C. Ball, L. Bianco, D. Bandyopadhyay, J. Bangay, B. P. Crider, G. Demand, G. Deng, I. Dillman, A. Finlay, A. B. Garnsworthy, G. Hackman, B. Hadinia, R. Krücken, K. G. Leach, J-P. Martin, Marcus T. Mcellistrem, C. J. Pearson, E. E. Peters, Francisco M. Prados-Estévez, A. Radich, F. Sarazin, C. Sumithrarachchi, C. E. Svensson, J. R. Vanhoy, J. Wong, Steven W. Yates

Chemistry Faculty Publications

The DESCANT array (Deuterated Scintillator Array for Neutron Tagging) consists of up to 70 detectors, each filled with approximately 2 liters of deuterated benzene. This scintillator material o_ers pulse-shape discrimination (PSD) capabilities to distinguish between neutrons and γ-rays interacting with the scintillator material. In addition, the anisotropic nature of n – d scattering allows for the determination of the neutron energy spectrum directly from the pulse height spectrum, complementing the traditional time-of-flight (ToF) information. DESCANT can be coupled either to the TIGRESS (TRIUMF-ISAC Gamma-Ray Escape …


Inelastic Neutron Scattering Studies Of 76Ge And 76Se: Relevance To Elevance To Neutrinoless Double-Β Decay, B. P. Crider, E. E. Peters, T. J. Ross, Marcus T. Mcellistrem, Francisco M. Prados-Estévez, J. M. Allmond, J. R. Vanhoy, Steven W. Yates May 2015

Inelastic Neutron Scattering Studies Of 76Ge And 76Se: Relevance To Elevance To Neutrinoless Double-Β Decay, B. P. Crider, E. E. Peters, T. J. Ross, Marcus T. Mcellistrem, Francisco M. Prados-Estévez, J. M. Allmond, J. R. Vanhoy, Steven W. Yates

Chemistry Faculty Publications

Inelastic neutron scattering measurements were performed at the University of Kentucky Accelerator Laboratory on enriched 76Ge and 76Se scattering samples. From measurements at incident neutron energies from 2.0 to 4.0 MeV, many new levels were identified and characterized in each nucleus; level lifetimes, transition probabilities, multipole mixing ratios, and other properties were determined. In addition, γ-ray cross sections for the 76Ge(n,n′γ) reaction were measured at neutron energies up to 5.0 MeV, with the goal of determining the cross sections of γ rays in 2040-keV region, which corresponds to the region of interest in the neutrinoless double β …