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Articles 1 - 30 of 38
Full-Text Articles in Physical Chemistry
Metals And Metal Complexes In Diseases With A Focus On Covid-19: Facts And Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis
Metals And Metal Complexes In Diseases With A Focus On Covid-19: Facts And Opinions, Agnieszka Ścibior, Manuel Aureliano, Alvin A. Holder, Juan Llopis
Chemistry & Biochemistry Faculty Publications
In the present Special Issue on “Metals and Metal Complexes in Diseases with a Focus on COVID-19: Facts and Opinions”, an attempt has been made to include reports updating our knowledge of elements considered to be potential candidates for therapeutic applications and certain metal-containing species, which are extensively being examined towards their potential biomedical use due to their specific physicochemical properties. The Special Issue compiles data on the role of metals in COVID-19 and focuses on other illnesses and biological processes that affect metal metabolism. It consists of eight manuscripts, including five review articles and three original research papers (Figure …
Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola
Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola
Chemistry & Biochemistry Faculty Publications
Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. Mechanochemistry’s implementation as a synthetic method is constantly increasing, although it remains far from being fully exploited, or understood on the basis of fundamental principles. This review starts by describing many remarkable advantages of mechanochemical reactions, simplifying and “greening” chemistry in solutions. This description is followed by an overview of the current main weaknesses to be addressed …
More On The Demons Of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee
More On The Demons Of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee
Chemistry & Biochemistry Faculty Publications
No abstract provided.
Infrared Spectra Of Small Radicals For Exoplanetary Spectroscopy: Oh, Nh, Cn, And Ch: The State Of Current Knowledge, Svatopluk Civiš, Adam Pastorek, Martin Ferus, Sergei N. Yurchenko, Noor-Ines Boudjema
Infrared Spectra Of Small Radicals For Exoplanetary Spectroscopy: Oh, Nh, Cn, And Ch: The State Of Current Knowledge, Svatopluk Civiš, Adam Pastorek, Martin Ferus, Sergei N. Yurchenko, Noor-Ines Boudjema
Chemistry & Biochemistry Faculty Publications
In this study, we present a current state-of-the-art review of middle-to-near IR emission spectra of four simple astrophysically relevant molecular radicals—OH, NH, CN and CH. The spectra of these radicals were measured by means of time-resolved Fourier transform infrared spectroscopy in the 700–7500 cm−1 spectral range and with 0.07–0.02 cm−1 spectral resolution. The radicals were generated in a glow discharge of gaseous mixtures in a specially designed discharge cell. The spectra of short-lived radicals published here are of great importance, especially for the detailed knowledge and study of the composition of exoplanetary atmospheres in selected new planets. Today, …
Telp Theory: Elucidating The Major Observations Of Rieger Et Al. 2021 In Mitochondria, James Weifu Lee
Telp Theory: Elucidating The Major Observations Of Rieger Et Al. 2021 In Mitochondria, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
The transmembrane-electrostatically localized protons (TELP) theory may represent a complementary development to Mitchell's chemiosmotic theory. The combination of the two together can now excellently explain the energetics in mitochondria. Our calculated transmembrane-attractive force between an excess proton and an excess hydroxide explains how TELP may stay within a 1-nm thin layer at the liquid-membrane interface. Consequently, any pH sensor (sEcGFP) located at least 2–3 nm away from the membrane surface will not be able to see TELP. This feature as predicted from the TELP model was observed exactly in the experiment of Rieger et al., 2021. In contrast to their …
S-Type Stars: Line List For The A²Π-X²Σ⁺ Band System Of Lao, P. F. Bernath, R. Dodangodage, J. Liévin
S-Type Stars: Line List For The A²Π-X²Σ⁺ Band System Of Lao, P. F. Bernath, R. Dodangodage, J. Liévin
Chemistry & Biochemistry Faculty Publications
LaO bands are found in the spectra of cool S-type stars. The bands of the A2Π–X2Σ+ transition with v' ⩽ 3 and v'' ≤ 4 are rotationally analyzed, providing spectroscopic constants for the A2Π state. Line strengths are calculated using an ab initio transition dipole moment function, and radiative lifetimes for the A2Π state have also been computed. A line list for the A2Π–X2Σ+ transition of LaO is provided and can be used to determine LaO stellar abundances.
Visible Opacity Of M Dwarfs And Hot Jupiters: The Tio B³Π-X³Δ Band System, W. Doug Cameron, Peter Bernath
Visible Opacity Of M Dwarfs And Hot Jupiters: The Tio B³Π-X³Δ Band System, W. Doug Cameron, Peter Bernath
Chemistry & Biochemistry Faculty Publications
The TiO B3Π−X3Δ electronic transition (𝛾' system) is an important opacity source in the atmospheres of M dwarfs and hot Jupiter exoplanets. The 0–0, 1–0, and 2–1 bands of the B3Π−X3Δ band system have been analyzed using a TiO emission spectrum recorded at the McMath-Pierce Solar Telescope, operated by the National Solar Observatory at Kitt Peak, Arizona. Improved spectroscopic and equilibrium constants were determined. Line strengths were calculated from an ab initio transition-dipole moment function scaled using an experimental lifetime. A new line list for v' = 0–2 and v′′ = 0–4 …
S-Type Stars: Lao Line List For The B²Σ⁺-X²Σ⁺ Band System, P. F. Bernath, Randika Dodangodage, J. Liévin
S-Type Stars: Lao Line List For The B²Σ⁺-X²Σ⁺ Band System, P. F. Bernath, Randika Dodangodage, J. Liévin
Chemistry & Biochemistry Faculty Publications
LaO bands are a characteristic feature in the spectrum of cool S-type stars. La is made primarily by the s-process during the asymptotic giant branch phase of stellar evolution. The B2Σ+–X2Σ+ and A2Π–X2Σ+ band systems can be used to determine the La abundances in cool S stars. The bands of the B2Σ+–X2Σ+ with v' and v" ⩽ 5 have been rotationally analyzed from an emission spectrum from a carbon furnace. Line strengths are calculated using an ab initio transition dipole …
Nrlmsis 2.1: An Empirical Model Of Nitric Oxide Incorporated Into Msis, J. T. Emmert, M. Jones Jr., D. E. Siskind, D. P. Drob, J. M. Picone, M. H. Stevens, S. M. Bailey, S. Bender, P. F. Bernath, B. Funke, M. E. Hervig, K. Pérot
Nrlmsis 2.1: An Empirical Model Of Nitric Oxide Incorporated Into Msis, J. T. Emmert, M. Jones Jr., D. E. Siskind, D. P. Drob, J. M. Picone, M. H. Stevens, S. M. Bailey, S. Bender, P. F. Bernath, B. Funke, M. E. Hervig, K. Pérot
Chemistry & Biochemistry Faculty Publications
We have developed an empirical model of nitric oxide (NO) number density at altitudes from ∼73 km to the exobase, as a function of altitude, latitude, day of year, solar zenith angle, solar activity, and geomagnetic activity. The model is part of the NRLMSIS® 2.1 empirical model of atmospheric temperature and species densities; this upgrade to NRLMSIS 2.0 consists solely of the addition of NO. MSIS 2.1 assimilates observations from six space-based instruments: UARS/HALOE, SNOE, Envisat/MIPAS, ACE/FTS, Odin/SMR, and AIM/SOFIE. We additionally evaluated the new model against independent extant NO data sets. In this paper, we describe the formulation and …
Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee
Energy Renewal: Isothermal Utilization Of Environmental Heat Energy With Asymmetric Structures, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
Through the research presented herein, it is quite clear that there are two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type A, such as glycolysis and the tricarboxylic acid cycle, apparently follows the second law well; Type B, as exemplified by the thermotrophic function with transmembrane electrostatically localized protons presented here, does not necessarily have to be constrained by the second law, owing to its special asymmetric function. This study now, for the first time, numerically shows that transmembrane electrostatic proton localization (Type-B process) represents a negative entropy event with a local protonic entropy …
Mitochondrial Energetics With Transmembrane Electrostatically Localized Protons: Do We Have A Thermotrophic Feature?, James Weifu Lee
Mitochondrial Energetics With Transmembrane Electrostatically Localized Protons: Do We Have A Thermotrophic Feature?, James Weifu Lee
Chemistry & Biochemistry Faculty Publications
Transmembrane electrostatically localized protons (TELP) theory has been recently recognized as an important addition over the classic Mitchell’s chemiosmosis; thus, the proton motive force (pmf) is largely contributed from TELP near the membrane. As an extension to this theory, a novel phenomenon of mitochondrial thermotrophic function is now characterized by biophysical analyses of pmf in relation to the TELP concentrations at the liquid-membrane interface. This leads to the conclusion that the oxidative phosphorylation also utilizes environmental heat energy associated with the thermal kinetic energy (kBT) of TELP in mitochondria. The local pmf is now calculated to be in …
Stimuli-Responsive Gelators From Carbamoyl Sugar Derivatives And Their Responses To Metal Ions And Tetrabutylammonium Salts, Dan Wang, Anji Chen, Joedian Morris, Guijun Wang
Stimuli-Responsive Gelators From Carbamoyl Sugar Derivatives And Their Responses To Metal Ions And Tetrabutylammonium Salts, Dan Wang, Anji Chen, Joedian Morris, Guijun Wang
Chemistry & Biochemistry Faculty Publications
Carbohydrate-based low molecular weight gelators (LMWGs) are interesting compounds with a variety of applications. In this research, a library of nineteen carbamate derivatives of N-acetyl-D-glucosamine were synthesized and characterized, and several derivatives were found to be effective LMWGs. They formed gels in pump oils as well as mixtures of water with ethanol or water with DMSO. The structures of the carbamoyl chains played an important role in the gelation properties, short chain aliphatic derivatives and phenyl carbamates formed gels in more solvents than certain aromatic and dimeric carbamates. The phenyl carbamate gelator was also selected for the encapsulation of …
Atlas Of Experimental And Theoretical High Temperature Methane Cross Sections From T = 295 To 1000k In The Near-Infrared, Andy Wong, Peter F. Bernath, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev
Atlas Of Experimental And Theoretical High Temperature Methane Cross Sections From T = 295 To 1000k In The Near-Infrared, Andy Wong, Peter F. Bernath, Michael Rey, Andrei V. Nikitin, Vladimir G. Tyuterev
Chemistry & Biochemistry Faculty Publications
Spectra of hot methane were recorded using a tube furnace and a high-resolution Fourier transform spectrometer. We obtained experimental absorption spectra in the 1.85-1.11 μm near-infrared region at eight temperatures ranging from 295 K up to 1000 K. We have converted these into an atlas of absorption cross sections at each temperature for the methane tetradecad, icosad and triacontad polyads, excluding some spectral intervals either strongly contaminated by water or due to baseline fringes. On the theoretical side, the spectra were simulated from the ab initio-based Reims-Tomsk TheoReTS line list for the same experimental conditions. This line list has been …
Recent Trends In Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng
Recent Trends In Stratospheric Chlorine From Very Short‐Lived Substances, Ryan Hossaini, Elliot Atlas, Sandip S. Dhomse, Martyn P. Chipperfield, Peter F. Bernath, Anton M. Fernando, Jens Mühle, Amber A. Leeson, Stephen A. Montzka, Wuhu Feng
Chemistry & Biochemistry Faculty Publications
Very short‐lived substances (VSLS), including dichloromethane (CH2Cl2), chloroform (CHCl3), perchloroethylene (C2Cl4), and 1,2‐dichloroethane (C2H4Cl2), are a stratospheric chlorine source and therefore contribute to ozone depletion. We quantify stratospheric chlorine trends from these VSLS (VSLCltot) using a chemical transport model and atmospheric measurements, including novel high‐altitude aircraft data from the NASA VIRGAS (2015) and POSIDON (2016) missions. We estimate VSLCltot increased from 69 (±14) parts per trillion (ppt) Cl in 2000 to 111 (±22) ppt Cl in 2017, with >80% delivered to …
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Exomol Line List - Xxxiv. A Rovibrational Line List For Phosphinidene (Ph) In Its X³Σ¯ And A¹Δ Electronic States, Jonathan Langleben, Jonathan Tennyson, Sergei N. Yurchenko, Peter Bernath
Chemistry & Biochemistry Faculty Publications
A rovibronic line list for the ground (X3Σ−) and first excited (a1Δ) states of phosphinidene, 31PH, is computed. The line list is designed for studies of exoplanetary and cool stellar atmospheres with temperatures up to 4000 K. A combination of empirical and ab initio data is used to produce the line list: potential energy curves (PECs) are fitted using experimental transition frequencies; these transitions are reproduced with a root mean square error of 0.01 cm−1. The nuclear Schrödinger equation is solved using these PECs plus Born–Oppenheimer and spin splitting correction terms. …
Enhancement Of The Physicochemical Properties Of Pt(Dien)(Nucleobase) (2+) For Hivncp7 Targeting, S. D. Tsotsoros, P. B. Lutz, A. G. Daniel, E. J. Peterson, R. E. F. De Paiva, E. Rivera, Y. Qu, C. A. Bayse, N. P. Farrell
Enhancement Of The Physicochemical Properties Of Pt(Dien)(Nucleobase) (2+) For Hivncp7 Targeting, S. D. Tsotsoros, P. B. Lutz, A. G. Daniel, E. J. Peterson, R. E. F. De Paiva, E. Rivera, Y. Qu, C. A. Bayse, N. P. Farrell
Chemistry & Biochemistry Faculty Publications
Physicochemical properties of coordination compounds can be exploited for molecular recognition of biomolecules. The inherent π-π stacking properties of [Pt(chelate)(N-donor)]2+([PtN4]) complexes were modulated by systematic variation of the chelate (diethylenetriamine and substituted derivatives) and N-donor (nucleobase or nucleoside) in the formally substitution-inert PtN4 coordination sphere. Approaches to target the HIV nucleocapsid protein HIVNCp7 are summarized building on (i) assessment of stacking interactions with simple tryptophan or tryptophan derivatives to (ii) the tryptophan-containing C-terminal zinc finger and (iii) to the full two-zinc finger peptide and its interactions with RNA and DNA. The xanthosine nucleoside was identified …
Improving Cavity Enhanced Spectroscopy Of Molecular Ions In The Mid-Infrared With Up-Conversion Detection And Brewster-Plate Spoilers, Charles R. Markus, Adam J. Perry, James N. Hodges, Benjamin J. Mccall
Improving Cavity Enhanced Spectroscopy Of Molecular Ions In The Mid-Infrared With Up-Conversion Detection And Brewster-Plate Spoilers, Charles R. Markus, Adam J. Perry, James N. Hodges, Benjamin J. Mccall
Chemistry & Biochemistry Faculty Publications
The performance of sensitive spectroscopic methods in the mid-IR is often limited by fringing due to parasitic etalons and the background noise in mid-infrared detectors. In particular, the technique Noise Immune Cavity Enhanced Optical Heterodyne Velocity Modulation Spectroscopy (NICE-OHVMS), which is capable of determining the frequencies of strong rovibrational transitions of molecular ions with sub-MHz uncertainty, needs improved sensitivity in order to probe weaker transitions. In this work, we have implemented up-conversion detection with NICE-OHVMS in the 3.2 - 3.9 μm region to enable the use of faster and more sensitive detectors which cover visible wavelengths. The higher bandwidth enabled …
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
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 …
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
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 …
Validation Of The Global Distribution Of Co2 Volume Mixing Ratio In The Mesosphere And Lower Thermosphere From Saber, L. Rezac, Y. Jian, J. Yue, J. M. Russell Iii, A. Kutepov, R. Garcia, K. Walker, P. Bernath
Validation Of The Global Distribution Of Co2 Volume Mixing Ratio In The Mesosphere And Lower Thermosphere From Saber, L. Rezac, Y. Jian, J. Yue, J. M. Russell Iii, A. Kutepov, R. Garcia, K. Walker, P. Bernath
Chemistry & Biochemistry Faculty Publications
The Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument on board the Thermosphere Ionosphere Mesosphere Energetics and Dynamics satellite has been measuring the limb radiance in 10 broadband infrared channels over the altitude range from ~ 400 km to the Earth's surface since 2002. The kinetic temperatures and CO2 volume mixing ratios (VMRs) in the mesosphere and lower thermosphere have been simultaneously retrieved using SABER limb radiances at 15 and 4.3 μm under nonlocal thermodynamic equilibrium (non-LTE) conditions. This paper presents results of a validation study of the SABER CO2 VMRs obtained with a two-channel, self-consistent …
Simulation Of Energetic Particle Precipitation Effects During The 2003-2004 Arctic Winter, C. E. Randall, V. L. Harvey, L. A. Holt, D. R. Marsh, D. Kinnison, B. Funke, P. F. Bernath
Simulation Of Energetic Particle Precipitation Effects During The 2003-2004 Arctic Winter, C. E. Randall, V. L. Harvey, L. A. Holt, D. R. Marsh, D. Kinnison, B. Funke, P. F. Bernath
Chemistry & Biochemistry Faculty Publications
Energetic particle precipitation (EPP) during the 2003-2004 Arctic winter led to the production and subsequent transport of reactive odd nitrogen (NOx=NO+NO2) from the mesosphere and lower thermosphere (MLT) into the stratosphere. This caused NOx enhancements in the polar upper stratosphere in April 2004 that were unprecedented in the satellite record. Simulations of the 2003-2004 Arctic winter with the Whole Atmosphere Community Climate Model using Specified Dynamics (SD-WACCM) are compared to satellite measurements to assess our understanding of the observed NOx enhancements. The comparisons show that SD-WACCM clearly displays the descent of NOx produced …
Growth In Stratospheric Chlorine From Short-Lived Chemicals Not Controlled By The Montreal Protocol, R. Hossaoni, M. P. Chipperfield, A. Saiz-Lopez, J. J. Harrison, R. Von Glasow, R. Sommariva, E. Atlas, M. Navarro, S. A. Montzka, W. Feng, P. F. Bernath
Growth In Stratospheric Chlorine From Short-Lived Chemicals Not Controlled By The Montreal Protocol, R. Hossaoni, M. P. Chipperfield, A. Saiz-Lopez, J. J. Harrison, R. Von Glasow, R. Sommariva, E. Atlas, M. Navarro, S. A. Montzka, W. Feng, P. F. Bernath
Chemistry & Biochemistry Faculty Publications
We have developed a chemical mechanism describing the tropospheric degradation of chlorine containing very short-lived substances (VSLS). The scheme was included in a global atmospheric model and used to quantify the stratospheric injection of chlorine from anthropogenic VSLS (ClyVSLS) between 2005 and 2013. By constraining the model with surface measurements of chloroform (CHCl3), dichloromethane (CH2Cl2), tetrachloroethene (C2Cl4), trichloroethene (C2HCl3), and 1,2-dichloroethane (CH2ClCH2Cl), we infer a 2013 ClyVSLS mixing ratio of 123 parts per trillion (ppt). Stratospheric injection …
Simultaneous Analysis Of The Ballik-Ramsay And Phillips Systems Of C2 And Observation Of Forbidden Transitions Between Singlet And Triplet States, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang
Simultaneous Analysis Of The Ballik-Ramsay And Phillips Systems Of C2 And Observation Of Forbidden Transitions Between Singlet And Triplet States, Wang Chen, Kentarou Kawaguchi, Peter F. Bernath, Jian Tang
Chemistry & Biochemistry Faculty Publications
6229 lines of the Ballik-Ramsay system (b3Σg--a3Πu) and the Phillips system (A1Πu-X1Σg+) of C2 up to v = 8 and J = 76, which were taken from the literature or assigned in the present work, were analyzed simultaneously by least-squares fitting with 82 Dunham-like molecular parameters and spin-orbit interaction constants between the b3Σg- and X1Σg+ states with a standard deviation of 0.0037 cm-1 for the whole data set. As a …
Note: Improved Line Strengths Of Rovibrational And Rotational Transitions Within The X3Σ⁻ Ground State Of Nh, James S.A. Brooke, Peter F. Bernath, Colin M. Western
Note: Improved Line Strengths Of Rovibrational And Rotational Transitions Within The X3Σ⁻ Ground State Of Nh, James S.A. Brooke, Peter F. Bernath, Colin M. Western
Chemistry & Biochemistry Faculty Publications
Recently, a line list including positions and transition strengths was published for the NH X3Σ− rovibrational and rotational transitions. The calculation of the transition strengths requires a conversion of transition matrix elements from Hund’s case (b) to (a). The method of this conversion has recently been improved during other work on the OH X2Π rovibrational transitions, by removing an approximation that was present previously. The adjusted method has been applied to the NH line list, resulting in more accurate transition strengths. An updated line list is presented that contains all possible transitions with v′ and …
Comparison Of Upper Tropospheric Carbon Monoxide From Mopitt, Ace-Fts, And Hippo-Qcls, Sara Martínez-Alonzo, Merritt N. Deeter, Helen M. Worden, John C. Gille, Louisa K. Emmons, Laura L. Pan, Mijeong Park, Gloria L. Manney, Peter F. Bernath, Chris D. Boone
Comparison Of Upper Tropospheric Carbon Monoxide From Mopitt, Ace-Fts, And Hippo-Qcls, Sara Martínez-Alonzo, Merritt N. Deeter, Helen M. Worden, John C. Gille, Louisa K. Emmons, Laura L. Pan, Mijeong Park, Gloria L. Manney, Peter F. Bernath, Chris D. Boone
Chemistry & Biochemistry Faculty Publications
Products from the Measurements Of Pollution In The Troposphere (MOPITT) instrument are regularly validated using in situ airborne measurements. However, few of these measurements reach into the upper troposphere, thus hindering MOPITT validation in that region. Here we evaluate upper tropospheric (~500 hPa to the tropopause) MOPITT CO profiles by comparing them to satellite Atmospheric Chemistry Experiment Fourier Transform Spectrometer (ACE-FTS) retrievals and to measurements from the High-performance Instrumented Airborne Platform for Environmental Research Pole to Pole Observations (HIPPO) Quantum Cascade Laser Spectrometer (QCLS). Direct comparison of colocated v5 MOPITT thermal infrared-only retrievals, v3.0 ACE-FTS retrievals, and HIPPO-QCLS measurements shows …
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
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 …
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
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 …
Satellite Observations Of Stratospheric Carbonyl Fluoride, J. J. Harrison, M. P. Chipperfield, A. Dudhia, S. Cai, S. Dhomse, C. D. Boone, Peter F. Bernath
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 …
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
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 …
Ultrasensitive Analysis Of Binding Affinity Of Hiv Receptor And Neutralizing Antibodies Using Solution-Phase Electrochemiluminescence Assay, Xiao-Hong Nancy Xu, Zhaoyang Wen, William J. Brownlow
Ultrasensitive Analysis Of Binding Affinity Of Hiv Receptor And Neutralizing Antibodies Using Solution-Phase Electrochemiluminescence Assay, Xiao-Hong Nancy Xu, Zhaoyang Wen, William J. Brownlow
Chemistry & Biochemistry Faculty Publications
Binding of a few ligand molecules with its receptors on cell surface can initiate cellular signaling transduction pathways, and trigger viral infection of host cells. HIV-1 infects host T-cells by binding its viral envelope protein (gp120) with its receptor (a glycoprotein, CD4) on T cells. Primary strategies to prevent and treat HIV infection is to develop therapies (e.g., neutralizing antibodies) that can block specific binding of CD4 with gp120. The infection often leads to the lower counts of CD4 cells, which makes it an effective biomarker to monitor the AIDS progression and treatment. Despite research over decades, quantitative assays for …