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Version 1.3 Aim Sofie Measured Methane (Ch4): Validation And Seasonal Climatology, P. P. Rong, J. M. Russell Iii, B. T. Marshall, D. E. Siskind, M. E. Hervig, L. L. Gordley, P. F. Bernath, K. A. Walker Nov 2016

Version 1.3 Aim Sofie Measured Methane (Ch4): Validation And Seasonal Climatology, P. P. Rong, J. M. Russell Iii, B. T. Marshall, D. E. Siskind, M. E. Hervig, L. L. Gordley, P. F. Bernath, K. A. Walker

Chemistry & Biochemistry Faculty Publications

The V1.3 methane (CH4) measured by the Aeronomy of Ice in the Mesosphere (AIM) Solar Occultation for Ice Experiment (SOFIE) instrument is validated in the vertical range of ~25–70 km. The random error for SOFIE CH4 is ~0.1–1% up to ~50 km and degrades to ~9% at ∼ 70 km. The systematic error remains at ~4% throughout the stratosphere and lower mesosphere. Comparisons with CH4 data taken by the SCISAT Atmospheric Chemistry Experiment-Fourier Transform Spectrometer (ACE-FTS) and the Envisat Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) show an agreement within ~15% in the altitude range ~30–60 …


Preface-Jes Focus Issue On Electrolysis For Increased Renewable Energy Penetration, B. Pivovar, M. Carmo, K. Ayers, X. Zhang, J. O'Brien Oct 2016

Preface-Jes Focus Issue On Electrolysis For Increased Renewable Energy Penetration, B. Pivovar, M. Carmo, K. Ayers, X. Zhang, J. O'Brien

Mechanical & Aerospace Engineering Faculty Publications

(First paragraph) Today represents a particularly exciting time, as our planet’s energy system is undergoing major changes due to dramatically decreasing renewable energy prices and increasing societal concerns over greenhouse gas emissions, criteria pollutants (arsenic, mercury, NOx, particulate matter), and climate change. These factors are pushing society toward deep decarbonization of our energy system, perhaps the most challenging issue facing the planet today. Unfortunately, wind and solar energy, while both promising generation sources, come with intermittency challenges and have limitations in their abilities to impact industrial and transportation sector demands where fossil fuel energy carriers based on chemical bonds have …


Bioenergetics: Experimental Demonstration Of Excess Protons And Related Features, Haitham A. Saeed Oct 2016

Bioenergetics: Experimental Demonstration Of Excess Protons And Related Features, Haitham A. Saeed

Chemistry & Biochemistry Theses & Dissertations

Over the last 50 years, ever since the Nobel-prize work of Peter Mitchell’s Chemiosmotic theory, the question whether bioenergetics energy transduction occurs through localized or delocalized protons has been a controversial issue among scientists. Recently, a proton-electrostatics localization hypothesis was formulated which may provide a new and clear understanding of localized and delocalized proton-coupling energy transduction in many biological systems. The aim of this dissertation was to test this new hypothesis.

To demonstrate the fundamental behavior of localized protons in a pure water-membrane-water system in relation to the newly derived pmf equation, excess protons and excess hydroxyl anions were generated …


Possible Sources And Impacts Of Biochar Water Extractable Organic Compounds On Aquatic Microorganisms, Cameron Russell Smith Jul 2016

Possible Sources And Impacts Of Biochar Water Extractable Organic Compounds On Aquatic Microorganisms, Cameron Russell Smith

Chemistry & Biochemistry Theses & Dissertations

Smokeless biomass pyrolysis with application of biochar as a soil amendment could be a significant approach for carbon sequestration to possibly control climate change for energy and environmental sustainability. If biochar were to be utilized as a soil amendment and a carbon sequestration agent at Gt C scales, the release of potentially toxic compounds into soils and associated hydrological systems, through soil rainwater runoff and leaching, might have negative consequences, in both agro-ecosystems and aquatic environmental systems. Therefore, the main focus of this dissertation was to study the sources and chemical composition of biochar water extractable (soluble) organic compounds and …


Discoloration Of A Green Pigment In Tintoretto’S Allegorical Figure Of Spring And Analysis Of The Chemical Properties And Stability Of Copper Resinate, Sarah Wells Conner Horn Jul 2016

Discoloration Of A Green Pigment In Tintoretto’S Allegorical Figure Of Spring And Analysis Of The Chemical Properties And Stability Of Copper Resinate, Sarah Wells Conner Horn

Chemistry & Biochemistry Theses & Dissertations

The focus of this thesis is the discoloration of a common historical green pigment, copper resinate. In this research the discoloration was investigated in Jacopo Tintoretto’s painting, Allegorical Figure of Spring, painted c. 1555. This painting is believed to have been painted with copper resinate which has discolored to brown over the centuries. The state of repair of the painting was determined using visual analysis under visible and UV light and the use of copper green pigments was confirmed using energy-dispersive X-ray fluorescence, including copper resinate based upon supplementary historical evidence. Substantial evidence was found from visual inspection and …


Experimental Energy Levels And Partition Function Of The 12c2 Molecule, Tibor Furtenbacher, István Szabó, Attila G. Császár, Peter F. Bernath, Sergei N. Yurchenko, Jonathan Tennyson Jun 2016

Experimental Energy Levels And Partition Function Of The 12c2 Molecule, Tibor Furtenbacher, István Szabó, Attila G. Császár, Peter F. Bernath, Sergei N. Yurchenko, Jonathan Tennyson

Chemistry & Biochemistry Faculty Publications

The carbon dimer, the 12C2 molecule, is ubiquitous in astronomical environments. Experimental-quality rovibronic energy levels are reported for 12C2, based on rovibronic transitions measured for and among its singlet, triplet, and quintet electronic states, reported in 42 publications. The determination utilizes the Measured Active Rotational-Vibrational Energy Levels (MARVEL) technique. The 23,343 transitions measured experimentally and validated within this study determine 5699 rovibronic energy levels, 1325, 4309, and 65 levels for the singlet, triplet, and quintet states investigated, respectively. The MARVEL analysis provides rovibronic energies for six singlet, six triplet, and two quintet electronic states. For …


Section Abstracts: Chemistry Apr 2016

Section Abstracts: Chemistry

Virginia Journal of Science

Abstracts of the Chemistry Section for the 94th Annual Virginia Academy of Science Meeting, May 18-20, 2016, at University of Mary Washington, Fredericksburg, VA.


Low-Temperature Artificial Maturation Studies Of Type Ii And Type Iii Kerogens: Implications For Biogenic Gas Production, Albert Willy Nguena Kamga Apr 2016

Low-Temperature Artificial Maturation Studies Of Type Ii And Type Iii Kerogens: Implications For Biogenic Gas Production, Albert Willy Nguena Kamga

Chemistry & Biochemistry Theses & Dissertations

Ancient organic matter (OM) in shales and coals, known mainly as Type II and Type III OM are known to produce both biogenic, thermogenic gas and oil. In this dissertation, mild artificial maturation, via closed system pyrolysis, is employed to determine the thermal reactivity of Type II and Type III OM beyond diagenesis. We select three Type II kerogens: i) Type II kerogen isolated from recent cores (3.3 Ma, Ro = 0.28) recovered from an upwelling basin in Namibia, Africa referred to as ODP Sediment, ii) Type II-S isolated from sediments (150 Ma, Ro = 0.38) recovered from an outcrop …


Synthesis, Morphological Control, Dispersion Stabilization And In Situ Self-Assembly Of Noble Metal Nanostructures Using Multidentate Resorcinarene Surfactants, Sangbum Han Apr 2016

Synthesis, Morphological Control, Dispersion Stabilization And In Situ Self-Assembly Of Noble Metal Nanostructures Using Multidentate Resorcinarene Surfactants, Sangbum Han

Chemistry & Biochemistry Theses & Dissertations

In this dissertation, a detailed investigation on the influence of various macrocyclic resorcinarene surfactants in determining the morphology, stabilization and self-assembly of mono- and bi- metallic nanoparticles was undertaken. Chapter 2 describes the influence of resorcinarene surfactants functionalized with amine- and thiol- headgroups in determining the morphology of monometallic Pt nanoparticles synthesized via the Brust-Schiffrin reaction. We found that while resorcinarene benzylthiol can lead to the formation of highly branched Pt nanostructures, resorcinarene amine can lead to the formation of anisotropic crystalline Pt nanoparticles. Further, we have evaluated the influence of resorcinarene ligands in determining the catalytic activity of these …


Synthesis And Mechanistic Investigations Of Transition Metal Complexes And Ligands For Chemotherapeutic Applications, Jimmie Lee Bullock Jr. Apr 2016

Synthesis And Mechanistic Investigations Of Transition Metal Complexes And Ligands For Chemotherapeutic Applications, Jimmie Lee Bullock Jr.

Chemistry & Biochemistry Theses & Dissertations

Transition metal complexes have played a critical role in antitumor therapy with many complexes incorporating platinum, ruthenium, and lanthanum having been investigated in preclinical and clinical trials. The best known transition metal therapeutic is cisplatin, which is utilized in nearly 50% of all cancer therapies, despite its significant toxic side effects. The toxic side effects of current FDA approved platinum-based chemotherapeutics are often overlooked due to the “special status” granted to these drugs due to their ability to fight, what is often considered an incurable disease with life expectancies often measured in months. Oncology drug development has therefore now focused …


The Marine Cyanate Cycle, Brittany Widner Apr 2016

The Marine Cyanate Cycle, Brittany Widner

OES Theses and Dissertations

Cyanate (OCN-) is a reduced nitrogen compound with the potential to serve as a nitrogen and carbon source for marine microbes. Evidence from genomes and culture studies indicated that several marine cyanobacterial groups, including representatives of the globally important genera Synechococcus and Prochlorococcus, might be capable of cyanate assimilation. However, prior to this study, the distribution, bioavailability, and production pathways of cyanate were unknown in natural systems due to the absence of a sensitive cyanate assay; and the ability of organisms to assimilate cyanate on relevant timescales was unknown because we lacked a suitable tracer for measuring uptake. I developed …


Nitrous Oxide In The Atmosphere: First Measurements Of A Lower Thermospheric Source, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Peter F. Bernath, Bernd Funke Mar 2016

Nitrous Oxide In The Atmosphere: First Measurements Of A Lower Thermospheric Source, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Peter F. Bernath, Bernd Funke

Chemistry & Biochemistry Faculty Publications

Nitrous oxide (N2O) is an important anthropogenic greenhouse gas, as well as one of the most significant anthropogenic ozone-depleting substances in the stratosphere. The satellite-based instrument Atmospheric Chemistry Experiment-Fourier Transform Spectrometer has been observing the Earth's limb since 2004 and derives profiles of N2O volume mixing ratios in the upper troposphere to the lower thermosphere. The resulting climatology shows that N2O is continuously produced in the lower thermosphere via energetic particle precipitation and enhanced N2O is present at all latitudes, during all seasons. The results are consistent with an N2O …


Study Of Infrared Emission Spectroscopy For The B 1Δg- A 1Πu And B ′1Σg +- A 1Πu Systems Of C2, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang Feb 2016

Study Of Infrared Emission Spectroscopy For The B 1Δg- A 1Πu And B ′1Σg +- A 1Πu Systems Of C2, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang

Chemistry & Biochemistry Faculty Publications

Thirteen bands for the B1Δg-A1Πu system and eleven bands for the B′1Σg +-A1Πu system of C2 were identified in the Fourier transform infrared emission spectra of hydrocarbon discharges. The B′1Σg + v = 4 and the B1Δg v = 6, 7, and 8 vibrational levels involved in nine bands were studied for the first time. A direct global analysis with Dunham parameters was carried out satisfactorily for the B1Δg-A1Πu system except for a …


A Novel Copper (Ii) Complex Identified As A Potent Drug Against Colorectal And Breast Cancer Cells And As A Poison Inhibitor For Human Topoisomerase Iiᶐ, Shayna Sandhaus, Rosella Taylor, Tiffany Edwards, Alexis Huddleston, Stephen J. Beebe, Alvin A. Holder Jan 2016

A Novel Copper (Ii) Complex Identified As A Potent Drug Against Colorectal And Breast Cancer Cells And As A Poison Inhibitor For Human Topoisomerase Iiᶐ, Shayna Sandhaus, Rosella Taylor, Tiffany Edwards, Alexis Huddleston, Stephen J. Beebe, Alvin A. Holder

Bioelectrics Publications

A novel complex, [Cu(acetylethTSC)Cl]Cl · 0.25C2H5OH 1 (where acetylethTSC = (E)-N-ethyl-2-[1-(thiazol-2-yl)ethylidene]hydrazinecarbothioamide), was shown to have anti-proliferative activity against various colon and aggressive breast cancer cell lines. In vitro studies showed that complex 1 acted as a poison inhibitor of human topoisomerase IIᶐ which may account for the observed anti-cancer effects.


Validation Of Ace-Fts Version 3.5 Noy Species Profiles Using Correlative Satellite Measurements, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Chris A. Mclinden, Peter F. Bernath, Adam E. Bourassa, John P. Burrows, Doug A. Degenstein, Bernd Funke, Didier Fussen Jan 2016

Validation Of Ace-Fts Version 3.5 Noy Species Profiles Using Correlative Satellite Measurements, Patrick E. Sheese, Kaley A. Walker, Chris D. Boone, Chris A. Mclinden, Peter F. Bernath, Adam E. Bourassa, John P. Burrows, Doug A. Degenstein, Bernd Funke, Didier Fussen

Chemistry & Biochemistry Faculty Publications

The ACE-FTS (Atmospheric Chemistry Experiment - Fourier Transform Spectrometer) instrument on the Canadian SCISAT satellite, which has been in operation for over 12 years, has the capability of deriving stratospheric profiles of many of the NOy (N + NO + NO2 + NO3 + 2 x N2O5 + HNO3 + HNO4 + ClONO2 + BrONO2) species. Version 2.2 of ACE-FTS NO, NO2, HNO3, N2O5, and ClONO2 has previously been validated, and this study compares the most recent version (v3.5) of …


Plutonium Immobilization And Mobilization By Soil Organic Matter, Peter H. Santschi, Kathleen A. Schwehr, Chen Xu, Matthew Athon, Yi-Fang Ho, Patrick G. Hatcher, Nicole Didonato, Daniel I. Kaplan Jan 2016

Plutonium Immobilization And Mobilization By Soil Organic Matter, Peter H. Santschi, Kathleen A. Schwehr, Chen Xu, Matthew Athon, Yi-Fang Ho, Patrick G. Hatcher, Nicole Didonato, Daniel I. Kaplan

Chemistry & Biochemistry Faculty Publications

The human and environmental risks associated with Pu disposal, remediation, and nuclear accidents scenarios stems mainly from the very long half-lives of several of its isotopes. The SRS, holding one-third of the nation’s Pu inventory, has a long-term stewardship commitment to investigation of Pu behavior in the groundwater and downgradient vast wetlands. Pu is believed to be essentially immobile due to its low solubility and high particle reactivity to mineral phase or natural organic matter (NOM). For example, in sediments collected from a region of SRS, close to a wetland and a groundwater plume, 239,240Pu concentrations suggest immobilization by NOM …


Anticancer, Biophysical And Computational Investigations Of Half-Sandwich Ruthenium(Ii) Thiosemicarbazone Complexes: The Effect Of Arene Versus Thiacrown Face-Cap, Floyd A. Beckford, Alyssa Stott, P. Canisius Mbarushimana, Marc-Andre Leblanc, Kinsey Hall, Samantha Smith, Jimmie L. Bullock, Dennis J. Houghton, Alvin A. Holder, Nikolay Gerasimchuk, Antonio Gonzalez-Sarrías Jan 2016

Anticancer, Biophysical And Computational Investigations Of Half-Sandwich Ruthenium(Ii) Thiosemicarbazone Complexes: The Effect Of Arene Versus Thiacrown Face-Cap, Floyd A. Beckford, Alyssa Stott, P. Canisius Mbarushimana, Marc-Andre Leblanc, Kinsey Hall, Samantha Smith, Jimmie L. Bullock, Dennis J. Houghton, Alvin A. Holder, Nikolay Gerasimchuk, Antonio Gonzalez-Sarrías

Chemistry & Biochemistry Faculty Publications

A series of half-sandwich ruthenium complexes, two containing an arene face-cap and the other a thiacrown ether face-cap were synthesized to investigate the necessity of the arene for anticancer activity in this class of compounds. The complexes are formulated as [(h6-p-cymene)Ru(dmabTSC)Cl]PF6, [(h6-benzene)Ru(dmabTSC)Cl]PF6 (arene complexes), and [([9]aneS3(dmabTSC)Cl]PF6 (dmabTSC = dimethylaminobenzaldehye thiosemicarbazone). It was observed that none of the complexes showed good anticancer activity in vitro against HCT-116 and Caco-2 (colon adenocarcinoma) cells. All three complexes can bind strongly to calf-thymus DNA with binding constants on the order of 10 …


Global Stratospheric Measurements Of The Isotopologues Of Methane From The Atmospheric Chemistry Experiment Fourier Transform Spectrometer, Eric M. Buzan, Chris A. Beale, Chris. D. Boone, Peter F. Bernath Jan 2016

Global Stratospheric Measurements Of The Isotopologues Of Methane From The Atmospheric Chemistry Experiment Fourier Transform Spectrometer, Eric M. Buzan, Chris A. Beale, Chris. D. Boone, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

This paper presents an analysis of observations of methane and its two major isotopologues, CH3D and 13CH4, from the Atmospheric Chemistry Experiment (ACE) satellite between 2004 and 2013. Additionally, atmospheric methane chemistry is modeled using the Whole Atmospheric Community Climate Model (WACCM). ACE retrievals of methane extend from 6 km for all isotopologues to 75 km for 12CH4, 35 km for CH3D, and 50 km for 13CH4. While total methane concentrations retrieved from ACE agree well with the model, values of δD-CH4 and δ13C-CH …


Single Nanoparticle Plasmonic Spectroscopy For Study Of The Efflux Function Of Multidrug Abc Membrance Transporters Of Single Live Cells, Lauren M. Browning, Kerry J. Lee, Pavan K. Cherukuri, Prakash D. Nallathamby, Seth Warren, Jean-Michel Jault, Xiao-Hong Nancy Xu Jan 2016

Single Nanoparticle Plasmonic Spectroscopy For Study Of The Efflux Function Of Multidrug Abc Membrance Transporters Of Single Live Cells, Lauren M. Browning, Kerry J. Lee, Pavan K. Cherukuri, Prakash D. Nallathamby, Seth Warren, Jean-Michel Jault, Xiao-Hong Nancy Xu

Chemistry & Biochemistry Faculty Publications

ATP-binding cassette (ABC) membrane transporters exist in all living organisms and play key roles in a wide range of cellular and physiological functions. The ABC transporters can selectively extrude a wide variety of structurally and functionally unrelated substrates, leading to multidrug resistance. Despite extensive study, their efflux molecular mechanisms remain elusive. In this study, we synthesized and characterized purified silver nanoparticles (Ag NPs) (97 ± 13 nm in diameter), and used them as photostable optical imaging probes to study efflux kinetics of ABC membrane transporters (BmrA) of single live cells (B. subtilis). The NPs with concentrations up to …


Mipas Imk/Iaa Cfc-11 (Ccl3f) And Cfc-12 (Ccl2f2) Measurements: Accuracy, Precision And Long-Term Stability, E. Eckert, A. Laeng, S. Lossow, S. Kellmann, G. Stiller, T. Von Clarmann, N. Glatthor, M. Hopfner, M. Kiefer, H. Oelhaf, P. F. Bernath Jan 2016

Mipas Imk/Iaa Cfc-11 (Ccl3f) And Cfc-12 (Ccl2f2) Measurements: Accuracy, Precision And Long-Term Stability, E. Eckert, A. Laeng, S. Lossow, S. Kellmann, G. Stiller, T. Von Clarmann, N. Glatthor, M. Hopfner, M. Kiefer, H. Oelhaf, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

Profiles of CFC-11 (CCl3F) and CFC-12 (CCl2F2) of the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) aboard the European satellite Envisat have been retrieved from versions MIPAS/4.61 to MI-PAS/4.62 and MIPAS/5.02 to MIPAS/5.06 level-1b data using the scientific level-2 processor run by Karlsruhe Institute of Technology (KIT), Institute of Meteorology and Climate Research (IMK) and Consejo Superior de Investigaciones Cientificas (CSIC), Instituto de Astrofisica de Andalucia (IAA). These profiles have been compared to measurements taken by the balloon-borne cryosampler, Mark IV (MkIV) and MIPAS-Balloon (MIPAS-B), the airborne MIPAS-STRatospheric aircraft (MIPAS-STR), the satellite-borne Atmospheric Chemistry …


Rcd+: Fast Loop Modeling Server, José R. López-Blanco, Alejandro J. Canosa-Valis, Yaohang Li, Pablo Chacón Jan 2016

Rcd+: Fast Loop Modeling Server, José R. López-Blanco, Alejandro J. Canosa-Valis, Yaohang Li, Pablo Chacón

Computer Science Faculty Publications

Modeling loops is a critical and challenging step in protein modeling and prediction. We have developed a quick online service (http://rcd.chaconlab.org) for ab initio loop modeling combining a coarse-grained conformational search with a full-atom refinement. Our original Random Coordinate Descent (RCD) loop closure algorithm has been greatly improved to enrich the sampling distribution towards near-native conformations. These improvements include a new workflow optimization, MPI-parallelization and fast backbone angle sampling based on neighbor-dependent Ramachandran probability distributions. The server starts by efficiently searching the vast conformational space from only the loop sequence information and the environment atomic coordinates. The generated closed loop …


Uv Light-Induced Aggregation Of Titania Submicron Particles, Can Zhou, Yashar Bashirzadeh, Timothy A. Bernadowsky Jr., Xiaoyu Zhang Jan 2016

Uv Light-Induced Aggregation Of Titania Submicron Particles, Can Zhou, Yashar Bashirzadeh, Timothy A. Bernadowsky Jr., Xiaoyu Zhang

Mechanical & Aerospace Engineering Faculty Publications

In this study, aggregation of TiO2 (rutile and anatase) submicron particles in deionized (DI) water under ultra-violet (UV) light irradiation was investigated. While no aggregation was observed in the dark, rutile and anatase submicron particles started aggregating upon application of UV light and ceased aggregation in about 2 and 8.4 h, respectively. It has been demonstrated that UV light directly mitigated the particle mobility of TiO2, resulting in a neutralization effect of the Zeta potential. It was also observed that rutile particles aggregated much faster than anatase particles under UV radiation, indicating that the Zeta potential of …


Water Vapour Variability In The High-Latitude Upper Troposphere- Part 2: Impact Of Volcanic Eruptions, Christopher E. Sioris, Jason Zou, C. Thomas Mcelroy, Chris D. Boone, Patrick E. Sheese, Peter F. Bernath Jan 2016

Water Vapour Variability In The High-Latitude Upper Troposphere- Part 2: Impact Of Volcanic Eruptions, Christopher E. Sioris, Jason Zou, C. Thomas Mcelroy, Chris D. Boone, Patrick E. Sheese, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

The impact of volcanic eruptions on water vapour in the high-latitude upper troposphere is studied using deseasonalized time series based on observations by the Atmospheric Chemistry Experiment (ACE) water vapour sensors, namely MAESTRO (Measurements of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation) and the Fourier Transform Spectrometer (ACE-FTS). The two eruptions with the greatest impact on the high-latitude upper troposphere during the time frame of this satellitebased remote sensing mission are chosen. The Puyehue-Cordón Caulle volcanic eruption in June 2011 was the most explosive in the past 24 years and is shown to be able to account …


Detailed Source-Specific Molecular Composition Of Ambient Aerosol Organic Matter Using Ultrahigh Resolution Mass Spectrometry And H Nmr, Amanda S. Willoughby, Andrew S. Wozniak, Patrick G. Hatcher Jan 2016

Detailed Source-Specific Molecular Composition Of Ambient Aerosol Organic Matter Using Ultrahigh Resolution Mass Spectrometry And H Nmr, Amanda S. Willoughby, Andrew S. Wozniak, Patrick G. Hatcher

Chemistry & Biochemistry Faculty Publications

Organic aerosols (OA) are universally regarded as an important component of the atmosphere that have far-ranging impacts on climate forcing and human health. Many of these impacts are related to OA molecular characteristics. Despite the acknowledged importance, current uncertainties related to the source apportionment of molecular properties and environmental impacts make it difficult to confidently predict the net impacts of OA. Here we evaluate the specific molecular compounds as well as bulk structural properties of total suspended particulates in ambient OA collected from key emission sources (marine, biomass burning, and urban) using ultrahigh resolution mass spectrometry (UHR-MS) and proton nuclear …


Upper Tropospheric Water Vapour Variability At High Latitudes- Part 1: Influence Of The Annular Modes, Christopher E. Sioris, Jason Zou, David A. Plummer, Chris D. Boone, C. Thomas Mcelroy, Patrick E. Sheese, Omid Moeini, Peter F. Bernath Jan 2016

Upper Tropospheric Water Vapour Variability At High Latitudes- Part 1: Influence Of The Annular Modes, Christopher E. Sioris, Jason Zou, David A. Plummer, Chris D. Boone, C. Thomas Mcelroy, Patrick E. Sheese, Omid Moeini, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Seasonal and monthly zonal medians of water vapour in the upper troposphere and lower stratosphere (UTLS) are calculated for both Atmospheric Chemistry Experiment (ACE) instruments for the northern and southern high-latitude regions (60-90° N and 60-90°S). Chosen for the purpose of observing high-latitude processes, the ACE orbit provides sampling of both regions in 8 of 12 months of the year, with coverage in all seasons. The ACE water vapour sensors, namely MAESTRO (Measurements of Aerosol Extinction in the Stratosphere and Troposphere Retrieved by Occultation) and the Fourier Transform Spectrometer (ACE-FTS) are currently the only satellite instruments that can probe from …


Synthesis And Characterization Of Azo-Guanidine Based Alcoholic Media Naked Eye Dna Sensor, Ataf A. Altaf, Uzma Hashmat, Muhammad Yousaf, Bhajan Lal, Shafiq Ullah, Alvin A. Holder, Amin Badshah Jan 2016

Synthesis And Characterization Of Azo-Guanidine Based Alcoholic Media Naked Eye Dna Sensor, Ataf A. Altaf, Uzma Hashmat, Muhammad Yousaf, Bhajan Lal, Shafiq Ullah, Alvin A. Holder, Amin Badshah

Chemistry & Biochemistry Faculty Publications

DNA sensing always has an open meadow of curiosity for biotechnologists and other researchers. Recently, in this field, we have introduced an emerging class of molecules containing azo and guanidine functionalities. In this study, we have synthesized three new compounds (UA1, UA6 and UA7) for potential application in DNA sensing in alcoholic medium. The synthesized materials were characterized by elemental analysis, FTIR, UV-visible, 1H NMR and 13C NMR spectroscopies. Their DNA sensing potential were investigated by UV-visible spectroscopy. The insight of interaction with DNA was further investigated by electrochemical (cyclic voltammetry) and hydrodynamic (viscosity) studies. …


Vanadium Toxicological Potential Versus Its Pharmacological Activity: New Developments And Research, Agnieszka Ścibior, Juan Llopis, Alvin A. Holder, Mario Altamirano-Lozano Jan 2016

Vanadium Toxicological Potential Versus Its Pharmacological Activity: New Developments And Research, Agnieszka Ścibior, Juan Llopis, Alvin A. Holder, Mario Altamirano-Lozano

Chemistry & Biochemistry Faculty Publications

Scibior, A., Llopis, J., Holder, A. A., & Altamirano-Lozano, M. (2016). Vanadium toxicological potential versus its pharmacological activity: New developments and research. Oxidative Medicine and Cellular Longevity, 2016, 1-2. doi: 10.1155/2016/7612347


Intercomparison And Evaluation Of Satellite Peroxyacetyl Nitrate Observations In The Upper Troposphere-Lower Stratosphere, Richard J. Pope, Nigel A. D. Richards, Martyn P. Chipperfield, David P. Moore, Sarah A. Monks, Stephen R. Arnold, Norbert Glatthor, Michael Kiefer, Tom J. Breider, Jeremy J. Harrison, Peter F. Bernath Jan 2016

Intercomparison And Evaluation Of Satellite Peroxyacetyl Nitrate Observations In The Upper Troposphere-Lower Stratosphere, Richard J. Pope, Nigel A. D. Richards, Martyn P. Chipperfield, David P. Moore, Sarah A. Monks, Stephen R. Arnold, Norbert Glatthor, Michael Kiefer, Tom J. Breider, Jeremy J. Harrison, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

Peroxyacetyl nitrate (PAN) is an important chemical species in the troposphere as it aids the long-range transport of NOx and subsequent formation of O3 in relatively clean remote regions. Over the past few decades observations from aircraft campaigns and surface sites have been used to better understand the regional distribution of PAN. However, recent measurements made by satellites allow for a global assessment of PAN in the upper troposphere-lower stratosphere (UTLS). In this study, we investigate global PAN distributions from two independent retrieval methodologies, based on measurements from the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) instrument, on …


Satellite Observations Of Stratospheric Hydrogen Flouride And Comparisons With Slimcat Calculations, Jeremy J. Harrison, Martyn P. Chipperfield, Christopher D. Boone, Sandip S. Dhomse, Peter F. Bernath, Lucien Froidevaux Jan 2016

Satellite Observations Of Stratospheric Hydrogen Flouride And Comparisons With Slimcat Calculations, Jeremy J. Harrison, Martyn P. Chipperfield, Christopher D. Boone, Sandip S. Dhomse, Peter F. Bernath, Lucien Froidevaux

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). Many of these fluorine-containing species deplete stratospheric ozone and are regulated by the Montreal Protocol. Once in the atmosphere they slowly degrade, ultimately leading to the formation of hydrogen fluoride (HF), the dominant reservoir of stratospheric fluorine due to its extreme stability. Monitoring the growth of stratospheric HF is therefore an important marker for the success of the Montreal Protocol. We report the comparison of global distributions and trends of HF measured in the Earth's atmosphere by the satellite remote-sensing …


The Role Of Microbial Exopolymers In Determining The Fate Of Oil And Chemical Dispersants In The Ocean, Antonietta Quigg, Uta Passow, Wei-Chun Chin, Chen Xu, Shawn Doyle, Laura Bretherton, Manoj Kamalanathan, Alicia K. Williams, Jason B. Sylvan, Zoe V. Finkel, Anthony H. Knap, Kathleen A. Schwehr, Saijin Zhang, Luni Sun, Terry L. Wade, Wassim Obeid, Patrick G. Hatcher, Peter H. Santschi Jan 2016

The Role Of Microbial Exopolymers In Determining The Fate Of Oil And Chemical Dispersants In The Ocean, Antonietta Quigg, Uta Passow, Wei-Chun Chin, Chen Xu, Shawn Doyle, Laura Bretherton, Manoj Kamalanathan, Alicia K. Williams, Jason B. Sylvan, Zoe V. Finkel, Anthony H. Knap, Kathleen A. Schwehr, Saijin Zhang, Luni Sun, Terry L. Wade, Wassim Obeid, Patrick G. Hatcher, Peter H. Santschi

Chemistry & Biochemistry Faculty Publications

The production of extracellular polymeric substances (EPS) by planktonic microbes can influence the fate of oil and chemical dispersants in the ocean through emulsification, degradation, dispersion, aggregation, and/or sedimentation. In turn, microbial community structure and function, including the production and character of EPS, is influenced by the concentration and chemical composition of oil and chemical dispersants. For example, the production of marine oil snow and its sedimentation and flocculent accumulation to the seafloor were observed on an expansive scale after the Deepwater Horizon oil spill in the Northern Gulf of Mexico in 2010, but little is known about the underlying …