Chemistry Commons^™

Neurological Impact Of Zinc Excess And Deficiency In Vivo, Ronald Bartzatt

Chemistry Faculty Publications

Zinc is an essential mineral that can cause pathological effects whether in excess or deficiency. Zinc is a component for over 250 enzymes and is required for cell growth, cell division, and cell function. Zinc is found in muscle and bones, with the prostrate, liver, skin, and kidney having detectable levels of zinc. However, zinc present in excess or deficiency can cause significant pathology in patients that include deleterious effects neurologically. Zinc in excess in vivo can cause focal neuronal pathology, while zinc deficiency can bring about mental lethargy, neuropsychiatric disorders, and reduced nerve conduction. Zinc is assimilated within the …

Lanthanum-Mediated Dehydrogenation Of 1- And 2-Butynes: Spectroscopy And Formation Of La(C4H4) Isomers, Wenjin Cao, Dilrukshi C. Hewage, Dong-Sheng Yang

Chemistry Faculty Publications

La atom reactions with 1-butyne and 2-butyne are carried out in a laser-vaporization molecular beam source. Both reactions yield the same La-hydrocarbon products from the dehydrogenation and carbon-carbon bond cleavage and coupling of the butynes. The dehydrogenated species La(C₄H₄) is characterized with mass-analyzed threshold ionization (MATI) spectroscopy and quantum chemical computations. The MATI spectra of La(C₄H₄) produced from the two reactions exhibit two identical transitions, each consisting of a strong origin band and several vibrational intervals. The two transitions are assigned to the ionization of two isomers: La(η⁴–CH₂CCCH …

Real-Time Sensing Of Single-Ligand Delivery With Nanoaperture-Integrated Microfluidic Devices, W. Elliott Martin, Ning Ge, Bernadeta R. Srijanto, Emily Furnish, C. Patrick Collier, Christine A. Trinkle, Christopher I. Richards

Chemistry Faculty Publications

The measurement of biological events on the surface of live cells at the single-molecule level is complicated by several factors including high protein densities that are incompatible with single-molecule imaging, cellular autofluorescence, and protein mobility on the cell surface. Here, we fabricated a device composed of an array of nanoscale apertures coupled with a microfluidic delivery system to quantify single-ligand interactions with proteins on the cell surface. We cultured live cells directly on the device and isolated individual epidermal growth factor receptors (EGFRs) in the apertures while delivering fluorescently labeled epidermal growth factor. We observed single ligands binding to EGFRs, …

Level Lifetimes And The Structure Of 134Xe From Inelastic Neutron Scattering, Erin E. Peters, Anagha Chakraborty, Benjamin P. Crider, S. F. Ashley, E. Elhami, S. F. Hicks, A. Kumar, Marcus T. Mcellistrem, Sharmistha Mukhopadhyay, J. N. Orce, Francisco M. Prados-Estévez, Steven W. Yates

Chemistry Faculty Publications

The level structure of ¹³⁴Xe was studied with the inelastic neutron scattering reaction followed by γ-ray detection. A number of level lifetimes were determined for the first time with the Doppler-shift attenuation method and the low-lying excited states were characterized. From this new spectroscopic information, the third excited state, a 0⁺ level which had only been observed in a previous inelastic neutron scattering study, was verified. Reduced transition probabilities were calculated; comparisons were drawn with a vibrational description of the nucleus and found lacking. The 3⁻ octupole phonon has been confirmed, and the complete negative-parity multiplet …

The Entangled Triplet Pair State In Acene And Heteroacene Materials, Chaw Keong Yong, Andrew J. Musser, Sam L. Bayliss, Steven Lukman, Hiroyuki Tamura, Olga Bubnova, Rawad Hallani, Aurélie Meneau, Roland Resel, Munetaka Maruyama, Shu Hotta, Laura M. Herz, David Beljonne, John E. Anthony, Jenny Clark, Henning Sirringhaus

Chemistry Faculty Publications

Entanglement of states is one of the most surprising and counter-intuitive consequences of quantum mechanics, with potent applications in cryptography and computing. In organic materials, one particularly significant manifestation is the spin-entangled triplet-pair state, which mediates the spin-conserving fission of one spin-0 singlet exciton into two spin-1 triplet excitons. Despite long theoretical and experimental exploration, the nature of the triplet-pair state and inter-triplet interactions have proved elusive. Here we use a range of organic semiconductors that undergo singlet exciton fission to reveal the photophysical properties of entangled triplet-pair states. We find that the triplet pair is bound with respect to …

Mechanism-Informed Refinement Reveals Altered Substrate-Binding Mode For Catalytically Competent Nitroreductase, Warintra Pitsawong, Chad A. Haynes, Ronald L. Koder, David W. Rodgers, Anne-Frances Miller

Chemistry Faculty Publications

Nitroreductase from Enterobacter cloacae (NR) reduces diverse nitroaromatics including herbicides, explosives and prodrugs, and holds promise for bioremediation, prodrug activation and enzyme-assisted synthesis. We solved crystal structures of NR complexes with bound substrate or analog for each of its two half-reactions. We complemented these with kinetic isotope effect (KIE) measurements elucidating H-transfer steps essential to each half-reaction. KIEs indicate hydride transfer from NADH to the flavin consistent with our structure of NR with the NADH analog nicotinic acid adenine dinucleotide (NAAD). The KIE on reduction of p-nitrobenzoic acid (p-NBA) also indicates hydride transfer, and requires revision of …

Library Of Microcrystalline Tests For Novel Psychoactive Substances, Matthew Quinn, Michael Cain Jr., Monica Joshi

Chemistry Faculty Publications

A microcrystalline test is a precipitation reaction between a drug and a reagent, forming an insoluble drug-reagent complex that is unique to that specific test. These tests are quick, requiring minimal sample preparation and can be non-destructive. Therefore, they can be used as preliminary and confirmatory tests with expertise. Microcrystalline tests are one of the oldest analytical chemistry practices and their use for classic drugs such as cocaine, heroin and amphetamines is well-documented. However, there is very limited research on microcrystalline tests for the novel compounds encountered by law enforcement today. This research is an effort to increase understanding and …

Inhibiting Translesion Dna Synthesis As An Approach To Combat Drug Resistance To Dna Damaging Agents, Jung-Suk Choi, Seol Kim, Edward Motea, Anthony J. Berdis

Chemistry Faculty Publications

Anti-cancer agents exert therapeutic effects by damaging DNA. Unfortunately, DNA polymerases can effectively replicate the formed DNA lesions to cause drug resistance and create more aggressive cancers. To understand this process at the cellular level, we developed an artificial nucleoside that visualizes the replication of damaged DNA to identify cells that acquire drug resistance through this mechanism. Visualization is achieved using "click" chemistry to covalently attach azide-containing fluorophores to the ethynyl group present on the nucleoside analog after its incorporation opposite damaged DNA. Flow cytometry and microscopy techniques demonstrate that the extent of nucleotide incorporation into genomic DNA is enhanced …

Neutron Scattering Cross Section Measurements For 56Fe, Anthony Paul D. Ramirez, J. Vanhoy, S. F. Hicks, Marcus T. Mcellistrem, Erin E. Peters, Sharmistha Mukhopadhyay, T. D. Harrison, T. J. Howard, D. T. Jackson, P. D. Lenzen, T. D. Nguyen, R. L. Pecha, B. G. Rice, B. K. Thompson, Steven W. Yates

Chemistry Faculty Publications

Elastic and inelastic differential cross sections for neutron scattering from ⁵⁶Fe have been measured for several incident energies from 1.30 to 7.96 MeV at the University of Kentucky Accelerator Laboratory. Scattered neutrons were detected using a C₆D₆ liquid scintillation detector using pulse-shape discrimination and time-of-flight techniques. The deduced cross sections have been compared with previously reported data, predictions from evaluation databases ENDF, JENDL, and JEFF, and theoretical calculations performed using different optical model potentials using the TALYS and EMPIRE nuclear reaction codes. The coupled-channel calculations based on the vibrational and soft-rotor models are found to describe …

Copalic Acid Analogs Down-Regulate Androgen Receptor And Inhibit Small Chaperone Protein, Nethrie D. Idippily, Qiaoyun Zheng, Chunfang Gan, Aicha Quamine, Morgan M. Ashcraft, Bo Zhong, Bin Su Ph.D.

Chemistry Faculty Publications

Copalic acid, one of the diterpenoid acids in copaiba oil, inhibited the chaperone function of α-crystallin and heat shock protein 27 kD (HSP27). It also showed potent activity in decreasing an HSP27 client protein, androgen receptor (AR), which makes it useful in prostate cancer treatment or prevention. To develop potent drug candidates to decrease the AR level in prostate cancer cells, more copalic acid analogs were synthesized. Using the level of AR as the readout, 15 of the copalic acid analogs were screened and two compounds were much more potent than copalic acid. The compounds also dose-dependently inhibited AR positive …

Crystal Structure Of 4,4′-Bis­­[3-(Piperidin-1-Yl)Prop-1-Yn-1-Yl]-1,1′-Biphen­Yl, Anqi Walbaum, E. Kim Fifer, Sean R. Parkin, Peter A. Crooks

Chemistry Faculty Publications

The title compound, C₂₈H₃₂N₂, (I), is one of a second generation of compounds designed and synthesized based on a very potent and selective α9α10 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}, which has shown analgesic effects in a chemotherapy-induced neuropathy animal model. Compound (I) was synthesized by the reaction of 4,4′-bis­(3-bromo­prop-1-yn-1-yl)-1,1′-biphenyl with piperidine at room temperature in aceto­nitrile. The single-crystal used for X-ray analysis was obtained by dissolving (I) in a mixture of di­chloro­methane and methanol, followed by slow evaporation of the solvent. In the crystal of (I), the biphenyl moiety has a twisted …

Regioselective Baeyer–Villiger Oxidation Of Lignin Model Compounds With Tin Beta Zeolite Catalyst And Hydrogen Peroxide, John Adam Jennings, Sean R. Parkin, Eric Munson, Sean Delaney, Julie L. Calahan, Mark Isaacs, Kunlun Hong, Mark Crocker

Chemistry Faculty Publications

Lignin depolymerization represents a promising approach to the sustainable production of aromatic molecules. One potential approach to the stepwise depolymerization of lignin involves oxidation of the benzylic alcohol group in β-O-4 and β-1 linkages, followed by Baeyer–Villiger oxidation (BVO) of the resulting ketones and subsequent ester hydrolysis. Towards this goal, BVO reactions were performed on 2-adamantanone, a series of acetophenone derivatives, and lignin model compounds using a tin beta zeolite/hydrogen peroxide biphasic system. XRD, ¹¹⁹Sn MAS NMR spectroscopy, DRUVS and XPS were used to determine tin speciation in the catalyst, the presence of both framework Sn and extra framework …

Real-Time Atomistic Observation Of Structural Phase Transformations In Individual Hafnia Nanorods, Bethany M. Hudak, Sean W. Depner, Gregory R. Waetzig, Anjana Talapatra, Raymundo Arroyave, Sarbajit Banerjee, Beth S. Guiton

Chemistry Faculty Publications

High-temperature phases of hafnium dioxide have exceptionally high dielectric constants and large bandgaps, but quenching them to room temperature remains a challenge. Scaling the bulk form to nanocrystals, while successful in stabilizing the tetragonal phase of isomorphous ZrO₂, has produced nanorods with a twinned version of the room temperature monoclinic phase in HfO₂. Here we use in situ heating in a scanning transmission electron microscope to observe the transformation of an HfO₂ nanorod from monoclinic to tetragonal, with a transformation temperature suppressed by over 1000°C from bulk. When the nanorod is annealed, we observe with …

Pyrimethamine Based Anti-Protozoan Agents From Isostere And Heuristic Structure-Similarity Search, Ronald Bartzatt

Chemistry Faculty Publications

Aims: To generate new medicaments for control and treatment of the parasitic protozoan Toxoplasma gondii.

Study Design: Structure similarity search and isostere search was conducted over a broad range of structure categories. Correlation and highest similarity scores were implemented to select the best drug candidates.

Place and Duration of Study: University of Nebraska, Department of Chemistry, Durham Science Center, 6001 Dodge Street, Omaha Nebraska 68182, from June 2016 to February 2017.

Methodology: Utilizing pyrimethamine as the parent compound, a broad range of similar structures and isosteres were found by applying search methods. The compounds having the highest correlation and …

Design, Synthesis And Biological Evaluation Of Novel Hedgehog Inhibitors For Treating Pancreatic Cancer, Vinod Kumar, Amit Kumar Chaudhary, Yuxiang Dong, Haizhen Zhong, Goutam Mondal, Feng Lin, Virender Kumar, Ram I. Mahato

Chemistry Faculty Publications

Hedgehog (Hh) pathway is involved in epithelial-mesenchymal transition (EMT) and cancer stem cell (CSC) maintenance resulting in tumor progression. GDC-0449, an inhibitor of Hh pathway component smoothened (Smo) has shown promise in the treatment of various cancers including pancreatic cancer. However, the emergence of resistance during GDC-0449 treatment with numerous side effects limits its use. Therefore, here we report the design, synthesis and evaluation of novel GDC-0449 analogs using N-[3-(2-pyridinyl) phenyl] benzamide scaffold. Cell-based screening followed by molecular simulation revealed 2-chloro-N1-[4-chloro-3-(2-pyridinyl)phenyl]-N4,N4-bis(2-pyridinylmethyl)-1,4- benzenedicarboxamide (MDB5) as most potent analog, binding with an extra interactions in seventransmembrane (7-TM) domain of Smo due to …

Spectroscopy And Formation Of Lanthanum-Hydrocarbon Radicals Formed By C—C Bond Cleavage And Coupling Of Propene, Dilrukshi C. Hewage, Wenjin Cao, Sudesh Kumari, Ruchira Silva, Tao Hong Li, Dong-Sheng Yang

Chemistry Faculty Publications

La reaction with propene is carried out in a laser-vaporization molecular beam source. Three La-hydrocarbon radicals are characterized by mass-analyzed threshold ionization (MATI) spectroscopy. One of these radicals is methylenelanthanum [La(CH₂)] (C_s), a Schrock-type metal carbene. The other two are a five-membered 1-lanthanacyclopent-3-en [La(CH₂CHCHCH₂)] (C_s) and a tetrahedron-like trimethylenemethanelanthanum [La(C(CH₂)₃)] (C_3v). Adiabatic ionization energies and metal-ligand stretching and hydrocarbon-based bending frequencies of these species are measured from the MATI spectra, preferred structures and electronic states are identified by comparing the experimental measurements and spectral …

March For Science - Dayton, Earth Day, Audrey E. Mcgowin

Chemistry Faculty Publications

March for Science speech given by Audrey McGowin, PhD in Dayton, Ohio on Earth Day 2017.

Physiological Effects Of Five Different Marine Natural Organic Matters (Noms) And Three Different Metals (Cu, Pb, Zn) On Early Life Stages Of The Blue Mussel (Mytilus Galloprovincialis), Lygia Sega Nogueira, Adalto Bianchini, Scott Smith, Marianna Basso Jorge, Rachael L. Diamond, Chris M. Wood

Chemistry Faculty Publications

Metals are present in aquatic environments as a result of natural and anthropogenic inputs, and may induce toxicity to organisms. One of the main factors that influence this toxicity in fresh water is natural organic matter (NOM) but all NOMs are not the same in this regard. In sea water, possible protection by marine NOMs is not well understood. Thus, our study isolated marine NOMs by solid-phase extraction from five different sites and characterized them by excitation-emission fluorescence analysis—one inshore (terrigenous origin), two offshore (autochthonous origin), and two intermediate in composition (indicative of a mixed origin). The physiological effects of …

Oxidation Of Substituted Catechols At The Air-Water Interface: Production Of Carboxylic Acids, Quinones, And Polyphenols, Elizabeth A. Pillar, Marcelo I. Guzman

Chemistry Faculty Publications

Anthropogenic activities contribute benzene, toluene, and anisole to the environment, which in the atmosphere are converted into the respective phenols, cresols, and methoxyphenols by fast gas-phase reaction with hydroxyl radicals (HO(•)). Further processing of the latter species by HO(•) decreases their vapor pressure as a second hydroxyl group is incorporated to accelerate their oxidative aging at interfaces and in aqueous particles. This work shows how catechol, pyrogallol, 3-methylcatechol, 4-methylcatechol, and 3-methoxycatechol (all proxies for oxygenated aromatics derived from benzene, toluene, and anisole) react at the air-water interface with increasing O3(g) during τc ≈ 1 μs contact time and contrasts their …

Catalyzed Synthesis Of Zinc Clays By Prebiotic Central Metabolites, Marcelo I. Guzman, Ruixin Zhou, Kaustuv Basu, Hyman Hartman, Christopher J. Matocha, S. Kelly Sears, Hajatollah Vali

Chemistry Faculty Publications

How primordial metabolic networks such as the reverse tricarboxylic acid (rTCA) cycle and clay mineral catalysts coevolved remains a mystery in the puzzle to understand the origin of life. While prebiotic reactions from the rTCA cycle were accomplished via photochemistry on semiconductor minerals, the synthesis of clays was demonstrated at low temperature and ambient pressure catalyzed by oxalate. Herein, the crystallization of clay minerals is catalyzed by succinate, an example of a photoproduced intermediate from central metabolism. The experiments connect the synthesis of sauconite, a model for clay minerals, to prebiotic photochemistry. We report the temperature, pH, and concentration dependence …

Mmtv-Pymt And Derived Met-1 Mouse Mammary Tumor Cells As Models For Studying The Role Of The Androgen Receptor In Triple-Negative Breast Cancer Progression, Jessica L. Christenson, Kiel T. Butterfield, Nicole S. Spoelstra, John D. Norris, Jatinder S. Josan, Julie A. Pollock, Donald P. Mcdonnell, Benita S. Katzenellenbogen, John A. Katzenellenbogen, Jennifer K. Richer

Chemistry Faculty Publications

Triple-negative breast cancer (TNBC) has a faster rate of metastasis compared to other breast cancer subtypes and no effective targeted therapies are currently FDA-approved. Recent data indicate that the androgen receptor (AR) promotes tumor survival and may serve as a potential therapeutic target in TNBC. Studies of AR in disease progression and the systemic effects of anti-androgens have been hindered by the lack of an AR-positive (AR+) immunocompetent preclinical model. In this study we identified the transgenic MMTV-PyMT (mouse mammary tumor virus-polyoma middle tumor antigen) mouse mammary gland carcinoma model of breast cancer and Met-1 cells derived from this model …

Reactivity Of Ketyl And Acetyl Radicals From Direct Solar Actinic Photolysis Of Aqueous Pyruvic Acid, Alexis J. Eugene, Marcelo I. Guzman

Chemistry Faculty Publications

The variable composition of secondary organic aerosols (SOA) contributes to the large uncertainty for predicting radiative forcing. A better understanding of the reaction mechanisms leading to aerosol formation such as for the photochemical reaction of aqueous pyruvic acid (PA) at λ ≥ 305 nm can contribute to constrain these uncertainties. Herein, the photochemistry of aqueous PA (5-300 mM) continuously sparged with air is re-examined in the laboratory under comparable irradiance at 38° N at noon on a summer day. Several analytical methods are employed to monitor the time series of the reaction, including (1) the derivatization of carbonyl (C═O) functional …

Collective Quadrupole Behavior In 106Pd, Francisco M. Prados-Estévez, Erin E. Peters, A. Chakraborty, M. G. Mynk, D. Bandyopadhyay, N. Boukharouba, S. N. Choudry, Benjamin P. Crider, P. E. Garrett, S. F. Hicks, A. Kumar, S. R. Lesher, C. J. Mckay, Marcus T. Mcellistrem, Sharmistha Mukhopadhyay, J. N. Orce, M. Scheck, J. R. Vanhoy, J. L. Wood, Steven W. Yates

Chemistry Faculty Publications

Excited states in ¹⁰⁶Pd were studied with the (n,n′γ) reaction, and comprehensive information for excitations with spin ≤6ℏ was obtained. The data include level lifetimes in the femtosecond regime, spins and parities, transition multipolarities, and multipole mixing ratios, which allow the determination of reduced transition probabilities. The E2 decay strength to the low-lying states is mapped up to ≈2.4 MeV in excitation energy. The structures associated with quadrupole collectivity are elucidated and organized into bands.

Comparative Analysis Of Antihistamines And Nonsteroidal Anti-Inflammatory Drugs (Nsaids): Properties, Structure And Prediction Of New Potential Drugs, Ronald Bartzatt

Chemistry Faculty Publications

Aims: To determine the molecular properties of common antihistamines and non-steroidal antiinflammatory agents (NSAIDs). To identify interrelationships among these two groups of drugs utilizing pattern recognition methods and statistical analysis.

Study Design: After determination of molecular properties, values thereof are examined using pattern recognition methods and other numerical analysis for underlying relationships and similarities.

Place and Duration of Study: Durham Science Center, University of Nebraska, Omaha, Nebraska from September 2016 to January 2017.

Methodology: Thirty compounds were identified as antihistamines and 27 compounds identified as NSAIDs. Properties such as Log P, molecular weight, polar surface area, etc. are determined. Molecular …

Photochemical Properties And Structure-Activity Relationships Of RuIi Complexes With Pyridylbenzazole Ligands As Promising Anticancer Agents, Dmytro Havrylyuk, David K. Heidary, Leona Nease, Sean Parkin, Edith C. Glazer

Chemistry Faculty Publications

Ruthenium complexes capable of light‐triggered cytotoxicity are appealing potential prodrugs for photodynamic therapy (PDT) and photoactivated chemotherapy (PACT). Two groups of (polypyridyl)Ru^II complexes with 2‐(2‐pyridyl)benzazole ligands were synthesized and investigated for their photochemical properties and anticancer activity to compare strained and unstrained systems that are likely to have different biological mechanisms of action. The structure–activity relationship was focused on the benzazole‐core bioisosterism and replacement of coligands in Ru^II complexes. Strained compounds rapidly ejected the 2‐(2‐pyridyl)benzazole ligand after light irradiation, and possessed strong toxicity in the HL‐60 cell line both under dark and light conditions. In contrast, unstrained Ru …

Utilizing Phluorin-Tagged Receptors To Monitor Subcellular Localization And Trafficking, Ashley M. Fox-Loe, Brandon J. Henderson, Christopher I. Richards

Chemistry Faculty Publications

Understanding membrane protein trafficking, assembly, and expression requires an approach that differentiates between those residing in intracellular organelles and those localized on the plasma membrane. Traditional fluorescence-based measurements lack the capability to distinguish membrane proteins residing in different organelles. Cutting edge methodologies transcend traditional methods by coupling pH-sensitive fluorophores with total internal reflection fluorescence microscopy (TIRFM). TIRF illumination excites the sample up to approximately 150 nm from the glass-sample interface, thus decreasing background, increasing the signal to noise ratio, and enhancing resolution. The excitation volume in TIRFM encompasses the plasma membrane and nearby organelles such as the peripheral ER. Superecliptic …

Crystal Structure Of Li3ga(Bo3)2, Robert W. Smith, Darien Holman, Eric M. Villa

Chemistry Faculty Publications

The crystal structure of trilithium gallium bis(orthoborate), Li3Ga(BO3)2, is isotypic with Li3Al(BO3)2 in a triclinic cell in space-group type P1. The three Li and the unique Ga atom are coordinated by four O atoms each in tetrahedra, and the two B atoms are coordinated by three O atoms in orthoborate triangles. Chains with composition [Ga2(BO3)4] 6 extend along the a axis. The Li atoms interleave these chains in tetrahedral interstices. A comparison is made between the structure model of the title compound and that of a previously reported model for a compound with the same composition [Abdullaev & Mamedov (1972). …

Mass-Analyzed Threshold Ionization Spectroscopy Of Lanthanum-Hydrocarbon Radicals Formed By C—H Bond Activation Of Propene, Sudesh Kumari, Wenjin Cao, Dilrukshi C. Hewage, Ruchira Silva, Dong-Sheng Yang

Chemistry Faculty Publications

La(C₃H₄) and La(C₃H₆) are observed from the reaction of laser-vaporized La atoms with propene by photoionization time-of-flight mass spectrometry and characterized by mass-analyzed threshold ionization spectroscopy. Two isomers of La(C₃H₄) are identified as methyl-lanthanacyclopropene [La(CHCCH₃)] (C_s) and lanthanacyclobutene [La(CHCHCH₂)] (C₁); La(C₃H₆) is determined to be H—La(η³-allyl) (C_s), a C—H bond inserted species. All three metal-hydrocarbon radicals prefer a doublet ground state with a La 6s-based electron configuration. Ionization of the neutral doublet …

Single Molecule-Level Study Of Donor-Acceptor Interactions And Nanoscale Environment In Blends, Nicole Quist, Rebecca Grollman, Jeremy Rath, Alex Robertson, Michael Haley, John E. Anthony, Oksana Ostroverkhova

Chemistry Faculty Publications

Organic semiconductors have attracted considerable attention due to their applications in low-cost (opto)electronic devices. The most successful organic materials for applications that rely on charge carrier generation, such as solar cells, utilize blends of several types of molecules. In blends, the local environment strongly influences exciton and charge carrier dynamics. However, relationship between nanoscale features and photophysics is difficult to establish due to the lack of necessary spatial resolution. We use functionalized fluorinated pentacene (Pn) molecule as single molecule probes of intermolecular interactions and of the nanoscale environment in blends containing donor and acceptor molecules. Single Pn donor (D) molecules …

Nitrate Radicals And Biogenic Volatile Organic Compounds: Oxidation, Mechanisms And Organic Aerosol, Nga Lee Ng, Steven S. Brown, Alexander T. Archibald, Elliot Atlas, Ronald C. Cohen, John N. Crowley, Douglas A. Day, Neil M. Donahue, Juliane L. Fry, Hendrik Fuchs, Robert J. Griffin, Marcelo I. Guzman, Hartmut Hermann, Alma Hodzic, Yoshiteru Iinuma, José L. Jimenez, Astrid Kiendler-Scharr, Ben H. Lee, Deborah J. Luecken, Jingqiu Mao, Robert Mclaren, Anke Mutzel, Hans D. Osthoff, Bin Ouyang, Benedicte Picquet-Varrault, Ulrich Platt, Havala O. T. Pye, Yinon Rudich, Rebecca H. Schwantes, Manabu Shiraiwa, Jochen Stutz, Joel A. Thornton, Andreas Tilgner, Brent J. Williams, Rahul A. Zaveri

Chemistry Faculty Publications

Oxidation of biogenic volatile organic compounds (BVOC) by the nitrate radical (NO₃) represents one of the important interactions between anthropogenic emissions related to combustion and natural emissions from the biosphere. This interaction has been recognized for more than 3 decades, during which time a large body of research has emerged from laboratory, field, and modeling studies. NO₃-BVOC reactions influence air quality, climate and visibility through regional and global budgets for reactive nitrogen (particularly organic nitrates), ozone, and organic aerosol. Despite its long history of research and the significance of this topic in atmospheric chemistry, a number …