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Chemistry & Biochemistry Faculty Publications

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Articles 241 - 270 of 339

Full-Text Articles in Chemistry

Searching For Chemical Signatures Of Multiple Stellar Populations In The Old, Massive Open Cluster Ngc 6791, Angela Bragaglia, Christopher Sneden, Eugenio Carretta, Raffaele G. Gratton, Sara Lucatello, Peter F. Bernath, James S. A. Brooke, Ram S. Ram Nov 2014

Searching For Chemical Signatures Of Multiple Stellar Populations In The Old, Massive Open Cluster Ngc 6791, Angela Bragaglia, Christopher Sneden, Eugenio Carretta, Raffaele G. Gratton, Sara Lucatello, Peter F. Bernath, James S. A. Brooke, Ram S. Ram

Chemistry & Biochemistry Faculty Publications

Galactic open and globular clusters (OCs, GCs) appear to inhabit separate regions of the age-mass plane. However, the transition between them is not easily defined because there is some overlap between high-mass, old OCs and low-mass, young GCs. We are exploring the possibility of a clear-cut separation between OCs and GCs using an abundance feature that has been found so far only in GCs: (anti)correlations between light elements. Among the coupled abundance trends, the Na-O anticorrelation is the most widely studied. These anticorrelations are the signature of self-enrichment, i.e., of a formation mechanism that implies multiple generations of stars. Here …


Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath Nov 2014

Small Carbon Chains In Circumstellar Envelopes, R. J. Hargreaves, K. Hinkle, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Observations of carbon-rich circumstellar envelopes were made using the Phoenix spectrograph on the Gemini South telescope to determine the abundance of small carbon chain molecules. Vibration-rotation lines of the ν3 antisymmetric stretch of C3 near 2040 cm-1 (4.902 μm) have been used to determine the column density for four carbon-rich circumstellar envelopes: CRL 865, CRL 1922, CRL 2023 and IRC +10216. We additionally calculate the column density of C5 for IRC +10216, and provide an upper limit for five more objects. An upper limit estimate for the C7 column density is also provided for IRC+10216. A …


Line Lists For The A2Π-X 2Σ+ (Red) And B2Σ+-X 2Σ+ (Violet) Systems Of Cn, 13c14n, And 12c15n, And Application To Astronomicalspectra, Christopher Sneden, Sara Lucatello, Ram S. Ram, James S. A. Brooke, Peter Bernath Oct 2014

Line Lists For The A2Π-X 2Σ+ (Red) And B2Σ+-X 2Σ+ (Violet) Systems Of Cn, 13c14n, And 12c15n, And Application To Astronomicalspectra, Christopher Sneden, Sara Lucatello, Ram S. Ram, James S. A. Brooke, Peter Bernath

Chemistry & Biochemistry Faculty Publications

New red and violet system line lists for the CN isotopologues 13C14N and 12C15N have been generated. These new transition data are combined with those previously derived for 12C14N, and applied to the determination of CNO abundances in the solar photosphere and in four red giant stars: Arcturus, the bright, very low-metallicity star HD 122563, and the carbon-enhanced metal-poor stars HD 196944 and HD 201626. When both red and violet system lines are detectable in a star, their derived N abundances are in good agreement. The mean N abundances determined in …


Redox Active Motifs In Selenoproteins, Fei Li, Yuliya Pepelyayeva, Elias S. J. Arner, Craig A. Bayse, Sharon Rozovsky May 2014

Redox Active Motifs In Selenoproteins, Fei Li, Yuliya Pepelyayeva, Elias S. J. Arner, Craig A. Bayse, Sharon Rozovsky

Chemistry & Biochemistry Faculty Publications

Selenoproteins use the rare amino acid selenocysteine (Sec) to act as the first line of defense against oxidants, which are linked to aging, cancer, and neurodegenerative diseases. Many selenoproteins are oxidoreductases in which the reactive Sec is connected to a neighboring Cys and able to form a ring. These Sec-containing redox motifs govern much of the reactivity of selenoproteins. To study their fundamental properties, we have used Se-77 NMR spectroscopy in concert with theoretical calculations to determine the conformational preferences and mobility of representative motifs. This use of Se-77 as a probe enables the direct recording of the properties of …


Exomol Molecular Line Lists V: The Ro-Vibrational Spectra Of Nacl And Kcl, Emma J. Barton, Christopher Chiu, Shirin Golpayegani, Sergei N. Yurchenko, Jonathan Tennyson, Daniel J. Frohman, Peter F. Bernath Jan 2014

Exomol Molecular Line Lists V: The Ro-Vibrational Spectra Of Nacl And Kcl, Emma J. Barton, Christopher Chiu, Shirin Golpayegani, Sergei N. Yurchenko, Jonathan Tennyson, Daniel J. Frohman, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Accurate rotation-vibration line lists for two molecules, NaCl and KCl, in their ground electronic states are presented. These line lists are suitable for temperatures relevant to exoplanetary atmospheres and cool stars (up to 3000 K). Isotopologues 23Na35Cl, 23Na37Cl, 39K35Cl, 39K37Cl, 41K35Cl and 41K37Cl are considered. Laboratory data were used to refine ab initio potential energy curves in order to compute accurate ro-vibrational energy levels. Einstein A coefficients are generated using newly determined ab initio dipole moment curves calculated using the CCSD(T) method. …


Spectrometric Monitoring Of Atmospheric Carbon Tetrafluoride (Cf4) Above The Jungfraujoch Station Since 1989: Evidence Of Continued Increase But At A Slowing Rate, E. Mahieu, R. Zander, G. C. Toon, M. K. Vollmer, S. Reimann, J. Muhle, W. Bader, B. Bovy, B. Lejune, C. Servais, P. F. Bernath Jan 2014

Spectrometric Monitoring Of Atmospheric Carbon Tetrafluoride (Cf4) Above The Jungfraujoch Station Since 1989: Evidence Of Continued Increase But At A Slowing Rate, E. Mahieu, R. Zander, G. C. Toon, M. K. Vollmer, S. Reimann, J. Muhle, W. Bader, B. Bovy, B. Lejune, C. Servais, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

The long-term evolution of the vertical column abundance of carbon tetrafluoride (CF4) above the high-altitude Jungfraujoch station (Swiss Alps, 46.5 ° N, 8.0 ° E, 3580 ma.s.l.) has been derived from the spectrometric analysis of Fourier transform infrared solar spectra recorded at that site between 1989 and 2012. The investigation is based on a multi-microwindow approach, two encompassing pairs of absorption lines belonging to the R-branch of the strong ν3 band of CF4 centered at 1283 cm-1, and two additional ones to optimally account for weak but overlapping HNO3 interferences. The analysis reveals …


Distinguishing Molecular Characteristics Of Aerosol Water Soluble Organic Matter From The 2011 Trans-North Atlantic Us Geotraces Cruise, A. S. Wozniak, A. S. Willoughby, S. C. Gurganus, Patrick G. Hatcher Jan 2014

Distinguishing Molecular Characteristics Of Aerosol Water Soluble Organic Matter From The 2011 Trans-North Atlantic Us Geotraces Cruise, A. S. Wozniak, A. S. Willoughby, S. C. Gurganus, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

The molecular characteristics of aerosol organic matter (OM) determines to a large extent its impacts on the atmospheric radiative budget and ecosystem function in terrestrial and aquatic environments, yet the OM molecular details of aerosols from different sources are not well established. Aerosol particulate samples with North American-influenced, North African-influenced, and marine (minimal recent continental influence) air mass back trajectories were collected as part of the 2011 trans-North Atlantic US GEOTRACES cruise and analyzed for their water soluble OM (WSOM) molecular characteristics using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry. Principal component analysis (PCA) separated the samples into …


Recommended Isolated-Line Profile For Representing High-Resolution Spectroscopic Transitions (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman Jan 2014

Recommended Isolated-Line Profile For Representing High-Resolution Spectroscopic Transitions (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Alain Campargue, Attila G. Császár, Ludovic Daumont, Robert R. Gamache, Joseph T. Hodges, Daniel Lisak, Olga V. Naumenko, Laurence S. Rothman

Chemistry & Biochemistry Faculty Publications

The report of an IUPAC Task Group, formed in 2011 on "Intensities and line shapes in high-resolution spectra of water isotopologues from experiment and theory" (Project No. 2011-022-2-100), on line profiles of isolated high-resolution rotational-vibrational transitions perturbed by neutral gas-phase molecules is presented. The well-documented inadequacies of the Voigt profile (VP), used almost universally by databases and radiative-transfer codes, to represent pressure effects and Doppler broadening in isolated vibrational-rotational and pure rotational transitions of the water molecule have resulted in the development of a variety alternative line-profile models. These models capture more of the physics of the influence of pressure …


Compositions And Constituents Of Freshwater Dissolved Organic Matter Isolated By Reverse Osmosis, Yulong Zhang, Wen Huang, Jingdong Mao Jan 2014

Compositions And Constituents Of Freshwater Dissolved Organic Matter Isolated By Reverse Osmosis, Yulong Zhang, Wen Huang, Jingdong Mao

Chemistry & Biochemistry Faculty Publications

Dissolved organic matter (DOM) from riverine and lacustrine water was isolated using a reverse osmosis (RO) system. Solid-state 13C nuclear magnetic resonance (13C NMR) was used to quantitatively evaluate the compositions and constituents of DOM, which are compared with previous investigations on marine DOM. Results indicated that concentration factor (CF) was a key metric controlling yield and sorption of DOM on the RO system. The sorption was likely non-selective, based on the 13C NMR and δ13C analyses. Carbohydrates and lipids accounted for 25.0–41.5% and 30.2–46.3% of the identifiable DOM, followed by proteins (18.2–19.8%) and …


Wavelength And Temperature-Dependent Apparent Quantum Yields For Photochemical Formation Of Hydrogen Peroxide In Seawater, David J. Kieber, Gary W. Miller, Patrick J. Neale, Kenneth Mopper Jan 2014

Wavelength And Temperature-Dependent Apparent Quantum Yields For Photochemical Formation Of Hydrogen Peroxide In Seawater, David J. Kieber, Gary W. Miller, Patrick J. Neale, Kenneth Mopper

Chemistry & Biochemistry Faculty Publications

Wavelength and temperature-dependent apparent quantum yields (AQYs) were determined for the photochemical production of hydrogen peroxide using seawater obtained from coastal and oligotrophic stations in Antarctica, the Pacific Ocean at Station ALOHA, the Gulf of Mexico, and at several sites along the East Coast of the United States. For all samples, AQYs decreased exponentially with increasing wavelength at 25 °C, ranging from 4.6 × 10−4 to 10.4 × 10−4 at 290 nm to 0.17 × 10−4 to 0.97 × 10−4 at 400 nm. AQYs for different seawater samples were remarkably similar irrespective of expected differences in the composition and concentrations …


Synthesis And Characterization Of Ph Responsive D-Glucosamine Based Molecular Gelators, Navneet Goyal, Hari P.R. Mangunuru, Bargav Parikh, Sonu Shrestha, Guijun Wang Jan 2014

Synthesis And Characterization Of Ph Responsive D-Glucosamine Based Molecular Gelators, Navneet Goyal, Hari P.R. Mangunuru, Bargav Parikh, Sonu Shrestha, Guijun Wang

Chemistry & Biochemistry Faculty Publications

Small molecular gelators are a class of compounds with potential applications for soft biomaterials. Low molecular weight hydrogelators are especially useful for exploring biomedical applications. Previously, we found that 4,6-O-benzylidene acetal protected D-glucose and D-glucosamine are well-suited as building blocks for the construction of low molecular weight gelators. To better understand the scope of D-glucosamine derivatives as gelators, we synthesized and screened a novel class of N-acetylglucosamine derivatives with a p-methoxybenzylidene acetal protective group. This modification did not exert a negative influence on the gelation. On the contrary, it actually enhanced the gelation tendency for many derivatives. The …


Retrieval Of Carbon Dioxide Vertical Profiles From Solar Occultation Observations And Associated Error Budgets For Ace-Fts And Cass-Fts, C. E. Sioris, C. D. Boone, R. Nassar, K. J. Sutton, I. E. Gordon, K. A. Walker, P. F. Bernath Jan 2014

Retrieval Of Carbon Dioxide Vertical Profiles From Solar Occultation Observations And Associated Error Budgets For Ace-Fts And Cass-Fts, C. E. Sioris, C. D. Boone, R. Nassar, K. J. Sutton, I. E. Gordon, K. A. Walker, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

An algorithm is developed to retrieve the vertical profile of carbon dioxide in the 5 to 25 km altitude range using mid-infrared solar occultation spectra from the main instrument of the ACE (Atmospheric Chemistry Experiment) mission, namely the Fourier transform spectrometer (FTS). The main challenge is to find an atmospheric phenomenon which can be used for accurate tangent height determination in the lower atmosphere, where the tangent heights (THs) calculated from geometric and timing information are not of sufficient accuracy. Error budgets for the retrieval of CO2 from ACE-FTS and the FTS on a potential follow-on mission named CASS …


Validation Of Mipas Imk/Iaa V5r_O3_224 Ozone Profiles, A. Laeng, U. Grabowski, T. Von Clarmann, G. Stiller, N. Glatthor, M. Höpfner, S. Kellmann, M. Kiefer, A. Linden, S. Lossow, P. F. Bernath Jan 2014

Validation Of Mipas Imk/Iaa V5r_O3_224 Ozone Profiles, A. Laeng, U. Grabowski, T. Von Clarmann, G. Stiller, N. Glatthor, M. Höpfner, S. Kellmann, M. Kiefer, A. Linden, S. Lossow, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present the results of an extensive validation program of the most recent version of ozone vertical profiles retrieved with the IMK/IAA (Institute for Meteorology and Climate Research/Instituto de Astrofisica de Andalucia) MIPAS (Michelson Interferometer for Passive Atmospheric Sounding) research level 2 processor from version 5 spectral level 1 data. The time period covered corresponds to the reduced spectral resolution period of the MIPAS instrument, i.e., January 2005-April 2012. The comparison with satellite instruments includes all post-2005 satellite limb and occultation sensors that have measured the vertical profiles of tropospheric and stratospheric ozone: ACE-FTS, GOMOS, HALOE, HIRDLS, MLS, OSIRIS, POAM, …


Technical Note: Swift - A Fast Semi-Empirical Model For Polar Stratospheric Ozone Loss, M. Rex, S. Kremser, P. Huck, G. Bodeker, I. Wohltmann, M. L. Santee, P. F. Bernath Jan 2014

Technical Note: Swift - A Fast Semi-Empirical Model For Polar Stratospheric Ozone Loss, M. Rex, S. Kremser, P. Huck, G. Bodeker, I. Wohltmann, M. L. Santee, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

An extremely fast model to estimate the degree of stratospheric ozone depletion during polar winters is described. It is based on a set of coupled differential equations that simulate the seasonal evolution of vortex-averaged hydrogen chloride (HCl), nitric acid (HNO3), chlorine nitrate (ClONO2), active forms of chlorine (ClOx = Cl+ClO+2ClOOCl) and ozone (O3) on isentropic levels within the polar vortices. Terms in these equations account for the chemical and physical processes driving the time rate of change of these species. Eight empirical fit coefficients associated with these terms are derived by iteratively fitting the equations …


Derivation Of Tropospheric Methane From Tccon Ch4 And Hf Total Column Observations, K. M. Saad, D. Wunch, P. Bernath, C. Boone, B. Connor, N. M. Deutscher, D.W.T. Griffith, R. Kivi, J. Notholt, C. Roehl, M. Schneider, V. Sherlock, P. O. Wennberg Jan 2014

Derivation Of Tropospheric Methane From Tccon Ch4 And Hf Total Column Observations, K. M. Saad, D. Wunch, P. Bernath, C. Boone, B. Connor, N. M. Deutscher, D.W.T. Griffith, R. Kivi, J. Notholt, C. Roehl, M. Schneider, V. Sherlock, P. O. Wennberg

Chemistry & Biochemistry Faculty Publications

The Total Carbon Column Observing Network (TCCON) is a global ground-based network of Fourier transform spectrometers that produce precise measurements of column-averaged dry-air mole fractions of atmospheric methane (CH4). Temporal variability in the total column of CH4 due to stratospheric dynamics obscures fluctuations and trends driven by tropospheric transport and local surface fluxes that are critical for understanding CH4 sources and sinks. We reduce the contribution of stratospheric variability from the total column average by subtracting an estimate of the stratospheric CH4 derived from simultaneous measurements of hydrogen fluoride (HF). HF provides a proxy for …


Drift Corrected Trends And Periodic Variations In Mipas Imk/Iaa Ozone Measurements, E. Eckert, T. Von Clarmann, M. Kiefer, G. P. Stiller, S. Lossow, N. Glatthor, D. A. Degenstein, L. Froidevaux, S. Godin-Beekmann, T. Leblanc, S. Mcdermid, M. Pastel, W. Steinbrcht, D.P.J. Swart, K. A. Walker, P. F. Bernath Jan 2014

Drift Corrected Trends And Periodic Variations In Mipas Imk/Iaa Ozone Measurements, E. Eckert, T. Von Clarmann, M. Kiefer, G. P. Stiller, S. Lossow, N. Glatthor, D. A. Degenstein, L. Froidevaux, S. Godin-Beekmann, T. Leblanc, S. Mcdermid, M. Pastel, W. Steinbrcht, D.P.J. Swart, K. A. Walker, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Drifts, trends and periodic variations were calculated from monthly zonally averaged ozone profiles. The ozone profiles were derived from level-1b data of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) by means of the scientific level-2 processor run by the Karlsruhe Institute of Technology (KIT), Institute for Meteorology and Climate Research (IMK). All trend and drift analyses were performed using a multilinear parametric trend model which includes a linear term, several harmonics with period lengths from 3 to 24 months and the quasi-biennial oscillation (QBO). Drifts at 2-sigma significance level were mainly negative for ozone relative to Aura MLS and …


Fourier Transform Infrared Emission Spectra Of Mgf₂, Peter Bernath, Daniel Frohman, Jacek Koput Jan 2014

Fourier Transform Infrared Emission Spectra Of Mgf₂, Peter Bernath, Daniel Frohman, Jacek Koput

Chemistry & Biochemistry Faculty Publications

High resolution infrared emission spectra of hot MgF2 in the 700 to 1300 cm-1 region have been recorded. The molecules were generated by heating solid MgF2 to 1675 °C. Four vibrational bands were rotationally analyzed yielding band origins and rotational constants. Observed bands are: 001-000 (Σu+ - Σg+), 0111 - 0110 (Πg - Πu), 0221 (f parity) - 0220 (f parity) (Δu - Δg), and 0331 - 0330 (Φg - Φu). High level ab initio calculations were essential in making assignments and in helping to fit …


Satellite Observations Of Stratospheric Carbonyl Fluoride, J. J. Harrison, M. P. Chipperfield, A. Dudhia, S. Cai, S. Dhomse, C. D. Boone, Peter F. Bernath Jan 2014

Satellite Observations Of Stratospheric Carbonyl Fluoride, J. J. Harrison, M. P. Chipperfield, A. Dudhia, S. Cai, S. Dhomse, C. D. Boone, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

The vast majority of emissions of fluorine-containing molecules are anthropogenic in nature, e.g. chlorofluorocarbons (CFCs), hydrochlorofluorocarbons (HCFCs), and hydrofluorocarbons (HFCs). These molecules slowly degrade in the atmosphere, leading to the formation of HF, COF2, and COClF, which are the main fluorine-containing species in the stratosphere. Ultimately both COF2 and COClF further degrade to form HF, an almost permanent reservoir of stratospheric fluorine due to its extreme stability. Carbonyl fluoride (COF2) is the second-most abundant stratospheric "inorganic" fluorine reservoir, with main sources being the atmospheric degradation of CFC-12 (CCl2F2), HCFC-22 (CHF2Cl), and CFC-113 (CF2ClCFCl2).

This work reports the first global distributions …


Middle Atmospheric Changes Caused By The January And March 2012 Solar Proton Events, C. H. Jackman, C. E. Randall, V. L. Harvey, S. Wang, E. L. Fleming, M. López-Puertas, B. Funke, P. F. Bernath Jan 2014

Middle Atmospheric Changes Caused By The January And March 2012 Solar Proton Events, C. H. Jackman, C. E. Randall, V. L. Harvey, S. Wang, E. L. Fleming, M. López-Puertas, B. Funke, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

The recent 23-30 January and 7-11 March 2012 solar proton event (SPE) periods were substantial and caused significant impacts on the middle atmosphere. These were the two largest SPE periods of solar cycle 24 so far. The highly energetic solar protons produced considerable ionization of the neutral atmosphere as well as HOx (H, OH, HO2) and NOx (N, NO, NO2). We compute a NOx production of 1.9 and 2.1 Gigamoles due to these SPE periods in January and March 2012, respectively, which places these SPE periods among the 12 largest in the past 50 yr. Aura Microwave Limb Sounder (MLS) …


A Database Of Water Transitions From Experiment And Theory (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Linda R. Brown, Alain Campargue, Attila G. Császár, Ludovic Daumont Jan 2014

A Database Of Water Transitions From Experiment And Theory (Iupac Technical Report), Jonathan Tennyson, Peter F. Bernath, Linda R. Brown, Alain Campargue, Attila G. Császár, Ludovic Daumont

Chemistry & Biochemistry Faculty Publications

The report and results of an IUPAC Task Group (TG) formed in 2004 on "A Database of Water Transitions from Experiment and Theory" (Project No. 2004-035-1-100) are presented. Energy levels and recommended labels involving exact and approximate quantum numbers for the main isotopologues of water in the gas phase, H216O, H2180, H217O, HD16O, HD18O, HD17O, D216O, D218O, and D217O, are determined from measured transition frequencies. The transition frequencies and energy levels are validated using first-principles nuclear …


Estimating Hydroxyl Radical Photochemical Formation Rates In Natural Waters During Long-Term Laboratory Irradiation Experiments, Luni Sun, Hongmei Chen, Hussain A. Abdulla, Kenneth Mopper Jan 2014

Estimating Hydroxyl Radical Photochemical Formation Rates In Natural Waters During Long-Term Laboratory Irradiation Experiments, Luni Sun, Hongmei Chen, Hussain A. Abdulla, Kenneth Mopper

Chemistry & Biochemistry Faculty Publications

In this study it was observed that, during long-term irradiations (>1 day) of natural waters, the methods for measuring hydroxyl radical (˙OH) formation rates based upon sequentially determined cumulative concentrations of photoproducts from probes significantly underestimate actual ˙OH formation rates. Performing a correction using the photodegradation rates of the probe products improves the ˙OH estimation for short term irradiations (<1 day), but not long term irradiations. Only the ‘instantaneous’ formation rates, which were obtained by adding probes to aliquots at each time point and irradiating these sub-samples for a short time (≤2 h), were found appropriate for accurately estimating ˙OH photochemical formation rates during long-term laboratory irradiation experiments. Our results also showed that in iron- and dissolved organic matter (DOM)-rich water samples, ˙OH appears to be mainly produced from the Fenton reaction initially, but subsequently from other sources possibly from DOM photoreactions. Pathways of ˙OH formation in long-term irradiations in relation to H2O2 and iron concentrations are discussed.


A Molecular-Level Approach For Characterizing Water-Insoluble Components Of Ambient Organic Aerosol Particulates Using Ultrahigh-Resolution Mass Spectrometry, A. S. Willoughby, A. S. Wozniak, Patrick G. Hatcher Jan 2014

A Molecular-Level Approach For Characterizing Water-Insoluble Components Of Ambient Organic Aerosol Particulates Using Ultrahigh-Resolution Mass Spectrometry, A. S. Willoughby, A. S. Wozniak, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

The chemical composition of organic aerosols in the atmosphere is strongly influenced by human emissions. The effect these have on the environment, human health, and climate change is determined by the molecular nature of these chemical species. The complexity of organic aerosol samples limits the ability to study the chemical composition, and therefore the associated properties and the impacts they have. Many studies have addressed the watersoluble fraction of organic aerosols and have had much success in identifying specific molecular formulas for thousands of compounds present. However, little attention is given to the water-insoluble portion, which can contain most of …


Retrievals Of Carbonyl Fluoride (Cof₂) From Ace-Fts And Mipas Spectra And Their Comparison With Slimcat Ctm Calculations, Jeremy Harrison, Shaomin Cai, Anu Dudhia, Martyn Chipperfield, Chris Boone, Peter Bernath Jan 2014

Retrievals Of Carbonyl Fluoride (Cof₂) From Ace-Fts And Mipas Spectra And Their Comparison With Slimcat Ctm Calculations, Jeremy Harrison, Shaomin Cai, Anu Dudhia, Martyn Chipperfield, Chris Boone, Peter Bernath

Chemistry & Biochemistry Faculty Publications

The majority of fluorine in the atmosphere has resulted from the anthropogenic emission of chlorofluorocarbons (CFCs), hydrochlorofluorocarbons (HCFCs), and hydrofluorocarbons (HFCs). Most tropospheric fluorine is present in its emitted 'organic' form due to the molecules having long lifetimes. At the top of the stratosphere most of the fluorine is present as the 'inorganic' product HF, which, due to its extreme stability, is an almost permanent reservoir of stratospheric fluorine. The second most abundant stratospheric 'inorganic' fluorine reservoir is carbonyl fluoride (COF₂). The major sources of COF₂ are from the atmospheric degradation of CFC-12 (CCl₂F₂), which is now banned under the …


The Magnesium Isotopologues Of Mgh In The A2Π-X 2Σ+ System, Kenneth H. Hinkle, Lloyd Wallace, Ram S. Ram, Peter F. Bernath, Christopher Sneden, Sara Lucatello Aug 2013

The Magnesium Isotopologues Of Mgh In The A2Π-X 2Σ+ System, Kenneth H. Hinkle, Lloyd Wallace, Ram S. Ram, Peter F. Bernath, Christopher Sneden, Sara Lucatello

Chemistry & Biochemistry Faculty Publications

Using laboratory hollow cathode spectra we have identified lines of the less common magnesium isotopologues of MgH, 25MgH and 26MgH, in the A2Π-X2Σ+ system. Based on the previous analysis of 24MgH, molecular lines have been measured and molecular constants derived for 25MgH and 26MgH. Term values and linelists, in both wavenumber and wavelength units, are presented. The A2Π-X2Σ+ system of MgH is important for measuring the magnesium isotope ratios in stars. Examples of analysis using the new linelists to derive the Mg isotope ratio in …


Integrating Art And Science In Undergraduate Education, Daniel Gurnon Feb 2013

Integrating Art And Science In Undergraduate Education, Daniel Gurnon

Chemistry & Biochemistry Faculty Publications

The prevailing vision for undergraduate science education includes increased collaboration among teachers of science, technology, engineering and math (STEM) and an overhaul of introductory courses [1][4]. But by staying within the borders of STEM, are we overlooking connections between the arts and innovative science? Likewise, are we missing an important opportunity to inspire and inform nonscientists? Here we explore how weaving the visual arts into a science curriculum can both help develop scientific imagination and engage nonscientists. As an example, we describe a recent collaboration between artists and scientists to create a series of science-inspired sculptures.


Membrane Surface Charges Attracted Protons Are Not Relevant To Proton Motive Force, James Weifu Lee Jan 2013

Membrane Surface Charges Attracted Protons Are Not Relevant To Proton Motive Force, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

[First Paragraph] Only a half-century ago, British scientist Peter Mitchell proposed the conceptual scheme known as "chemiosmotic theory" that identified the role of proton coupling in the formation of ATP in cells [1,2]. Mitchell's delocalized proton-coupling chemiosmotic theory was initially quite controversial. But it would win for him the Nobel Prize in Chemistry in 1978. However, questions about Mitchell's chemiosmotic hypothesis have never gone away and a number of credible studies indicated the full extent of Mitchell's idea didn't always hold up to experience.


Hci And Cio Profiles Inside The Antarctic Vortex As Observed By Smiles In November 2009: Comparisons With Mls And Ace-Fts Instruments, T. Sugita, Y. Kasai, Y. Terao, S. Hayashida, G. L. Manney, W. H. Daffer, H. Sagawa, M. Suzuki, M. Shiotani, K. A. Walker, C. D. Boone, P. F. Bernath Jan 2013

Hci And Cio Profiles Inside The Antarctic Vortex As Observed By Smiles In November 2009: Comparisons With Mls And Ace-Fts Instruments, T. Sugita, Y. Kasai, Y. Terao, S. Hayashida, G. L. Manney, W. H. Daffer, H. Sagawa, M. Suzuki, M. Shiotani, K. A. Walker, C. D. Boone, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present vertical profiles of hydrogen chloride (HCl) and chlorine monoxide (ClO) as observed by the Superconducting Submillimeter-Wave Limb-Emission Sounder (SMILES) on the International Space Station (ISS) inside the Antarctic vortex on 19-24 November 2009. The SMILES HCl value reveals 2.8-3.1 ppbv between 450K and 500K levels in potential temperature (PT). The high value of HCl is highlighted since it is suggested that HCl is a main component of the total inorganic chlorine Cly, defined as Cly similar or equal to HCl + ClO + chlorine nitrate ClONO2, inside the Antarctic vortex in spring, owing …


Stratospheric Loss And Atmospheric Lifetimes Of Cfc-11 And Cfc-12 Derived From Satellite Observations, K. Minschwaner, L. Hoffmann, A. Brown, M. Riese, R. Müller, P. F. Bernath Jan 2013

Stratospheric Loss And Atmospheric Lifetimes Of Cfc-11 And Cfc-12 Derived From Satellite Observations, K. Minschwaner, L. Hoffmann, A. Brown, M. Riese, R. Müller, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

The lifetimes of CFC-11 and CFC-12 have been evaluated using global observations of their stratospheric distributions from satellite-based instruments over the time period from 1992 to 2010. The chlorofluorocarbon (CFC) datasets are from the Cryogen Limb Array Etalon Spectrometer (CLAES), the Cryogenic Infrared Spectrometers and Telescopes for the Atmosphere (CRISTA-1 and CRISTA-2), the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS), and the Atmospheric Chemistry Experiment (ACE). Stratospheric loss rates were calculated using an ultraviolet radiative transfer code with updated cross section and solar irradiance data. Mean steady-state lifetimes based on these observations are 44.7 (36-58) yr for CFC-11 and 106.6 …


Observations Of Peroxyacetyl Nitrate (Pan) In The Upper Troposphere By The Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (Ace-Fts), K. A. Tereszchuk, D. P. Moore, J. J. Harrison, C. D. Boone, M. Park, J. J. Remedios, W. J. Randel, P. F. Bernath Jan 2013

Observations Of Peroxyacetyl Nitrate (Pan) In The Upper Troposphere By The Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (Ace-Fts), K. A. Tereszchuk, D. P. Moore, J. J. Harrison, C. D. Boone, M. Park, J. J. Remedios, W. J. Randel, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Peroxyacetyl nitrate (CH3CO·O2NO2, abbreviated as PAN) is a trace molecular species present in the troposphere and lower stratosphere due primarily to pollution from fuel combustion and the pyrogenic outflows from biomass burning. In the lower troposphere, PAN has a relatively short lifetime and is principally destroyed within a few hours through thermolysis, but it can act as a reservoir and carrier of NOx in the colder temperatures of the upper troposphere, where UV photolysis becomes the dominant loss mechanism. Pyroconvective updrafts from large biomass burning events can inject PAN into the upper troposphere …


Investigation Of Co, C2h6 And Aerosols In A Boreal Fire Plume Over Eastern Canada During Bortas 2011 Using Ground- And Satellite-Based Observations And Model Simulations, D. Griffin, K. A. Walker, J. E. Franklin, M. Parrington, C. Whaley, J. Hopper, J. R. Drummond, P. I. Palmer, K. Strong, T. J. Duck, P. F. Bernath Jan 2013

Investigation Of Co, C2h6 And Aerosols In A Boreal Fire Plume Over Eastern Canada During Bortas 2011 Using Ground- And Satellite-Based Observations And Model Simulations, D. Griffin, K. A. Walker, J. E. Franklin, M. Parrington, C. Whaley, J. Hopper, J. R. Drummond, P. I. Palmer, K. Strong, T. J. Duck, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

We present the results of total column measurements of CO, C2H6 and fine-mode aerosol optical depth (AOD) during the "Quantifying the impact of BOReal forest fires on Tropospheric oxidants over the Atlantic using Aircraft and Satellites" (BORTAS-B) campaign over eastern Canada. Ground-based observations, using Fourier transform spectrometers (FTSs) and sun photometers, were carried out in July and August 2011. These measurements were taken in Halifax, Nova Scotia, which is an ideal location to monitor the outflow of boreal fires from North America, and also in Toronto, Ontario. Measurements of fine-mode AOD enhancements were …