Sample records for halogens exceeded flag

  1. Removal of Intermediate Aromatic Halogenated DBPs by Activated Carbon Adsorption: A New Approach to Controlling Halogenated DBPs in Chlorinated Drinking Water.

    PubMed

    Jiang, Jingyi; Zhang, Xiangru; Zhu, Xiaohu; Li, Yu

    2017-03-21

    During chlorine disinfection of drinking water, chlorine may react with natural organic matter (NOM) and bromide ion in raw water to generate halogenated disinfection byproducts (DBPs). To mitigate adverse effects from DBP exposure, granular activated carbon (GAC) adsorption has been considered as one of the best available technologies for removing NOM (DBP precursor) in drinking water treatment. Recently, we have found that many aromatic halogenated DBPs form in chlorination, and they act as intermediate DBPs to decompose and form commonly known DBPs including trihalomethanes and haloacetic acids. In this work, we proposed a new approach to controlling drinking water halogenated DBPs by GAC adsorption of intermediate aromatic halogenated DBPs during chlorination, rather than by GAC adsorption of NOM prior to chlorination (i.e., traditional approach). Rapid small-scale column tests were used to simulate GAC adsorption in the new and traditional approaches. Significant reductions of aromatic halogenated DBPs were observed in the effluents with the new approach; the removals of total organic halogen, trihalomethanes, and haloacetic acids by the new approach always exceeded those by the traditional approach; and the effluents with the new approach were considerably less developmentally toxic than those with the traditional approach. Our findings indicate that the new approach is substantially more effective in controlling halogenated DBPs than the traditional approach.

  2. 40 CFR 65.154 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 15 2011-07-01 2011-07-01 false Halogen scrubbers and other halogen... Routing to a Fuel Gas System or a Process § 65.154 Halogen scrubbers and other halogen reduction devices. (a) Halogen scrubber and other halogen reduction device equipment and operating requirements. (1) An...

  3. 40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

  4. 40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

  5. 40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

  6. 40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

  7. 40 CFR 63.994 - Halogen scrubbers and other halogen reduction devices.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... halogen scrubber or other halogen reduction technique used to reduce the vent stream halogen atom mass... subpart shall determine the halogen atom mass emission rate prior to the combustion device according to...

  8. FLIP for FLAG model visualization

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wooten, Hasani Omar

    A graphical user interface has been developed for FLAG users. FLIP (FLAG Input deck Parser) provides users with an organized view of FLAG models and a means for efficiently and easily navigating and editing nodes, parameters, and variables.

  9. VAB Flag Painting

    NASA Image and Video Library

    2002-01-01

    On platforms suspended from the top of the 525-foot-high VAB, workers use rollers and brushes to repaint the U.S. flag on the southwest side of the Vehicle Assembly Building. The flag spans an area 209 feet by 110 feet, or about 23, 437 square feet. Each stripe is 9 feet wide and each star is 6 feet in diameter. The logo is also being painted. Known as the "meatball," the logo measures 110 feet by 132 feet, or about 12,300 square feet. The flag and logo were last painted in 1998, honoring NASA's 40th anniversary.

  10. VAB Flag Painting

    NASA Image and Video Library

    2002-01-01

    On platforms suspended from the top of the 525-foot-high VAB, workers use rollers and brushes to repaint the NASA logo on the southeast side of the Vehicle Assembly Building. Known as the "meatball," the logo measures 110 feet by 132 feet, or about 12,300 square feet. The U.S. flag is also being repainted. The flag spans an area 209 feet by 110 feet, or about 23, 437 square feet. Each stripe is 9 feet wide and each star is 6 feet in diameter. The flag and logo were last painted in 1998, honoring NASA's 40th anniversary.

  11. 75 FR 34309 - Flag Day and National Flag Week, 2010

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-16

    ... Nation to confront tyranny and oppression still flies today as an unequivocal emblem of freedom and... gatherings to private memorials, we gathered to salute our flag, and in doing so, renewed the eternal promise... recognize the American flag as a symbol of hope and inspiration to people at home and around the world--as a...

  12. On national flags and language tags: Effects of flag-language congruency in bilingual word recognition.

    PubMed

    Grainger, Jonathan; Declerck, Mathieu; Marzouki, Yousri

    2017-07-01

    French-English bilinguals performed a generalized lexical decision experiment with mixed lists of French and English words and pseudo-words. In Experiment 1, each word/pseudo-word was superimposed on the picture of the French or UK flag, and flag-word congruency was manipulated. The flag was not informative with respect to either the lexical decision response or the language of the word. Nevertheless, lexical decisions to word stimuli were faster following the congruent flag compared with the incongruent flag, but only for French (L1) words. Experiment 2 replicated this flag-language congruency effect in a priming paradigm, where the word and pseudo-word targets followed the brief presentation of the flag prime, and this time effects were seen in both languages. We take these findings as evidence for a mechanism that automatically processes linguistic and non-linguistic information concerning the presence or not of a given language. Language membership information can then modulate lexical processing, in line with the architecture of the BIA model, but not the BIA+ model. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Where no flag has gone before: Political and technical aspects of placing a flag on the Moon

    NASA Technical Reports Server (NTRS)

    Platoff, Anne M.

    1993-01-01

    The flag on the Moon represents an important event in vexillological history. The political and technical aspects of placing a flag on the Moon, focusing on the first Moon landing, is examined. During their historic extravehicular activity, the Apollo 11 crew planted the flag of the United States on the lunar surface. This flag-raising was strictly a symbolic activity, as the United Nations Treaty on Outer Space precluded any territorial claim. Nevertheless, there were domestic and international debates over the appropriateness of the event. Congress amended the agency's appropriations bill to prevent the National Aeronautics and Space Administration (NASA) from placing flags of other nations, or those of international associations, on the Moon during missions funded solely by the United States. Like any activity in space exploration, the Apollo flag-raising also provided NASA engineers with an interesting technical challenge. They designed a flagpole with a horizontal bar allowing the flag to 'fly' without the benefit of wind to overcome the effects of the Moon's lack of an atmosphere. Other factors considered in the design were weight, heat resistance, and ease of assembly by astronauts whose space suits restricted their range of movement and ability to grasp items. As NASA plans a return to the Moon and an expedition to Mars, we will likely see flags continue to go 'where no flag has gone before'.

  14. FLAG - APOLLO XI - ASTRONAUTS - MOON

    NASA Image and Video Library

    1969-07-14

    S69-39333 (July 1969) --- This is a photographic illustration of how the flag of the United States will be implanted on the moon by the Apollo 11 astronauts. The flag is three by five feet, and is made of nylon. It will be erected on an eight-foot aluminum staff, and tubing along its top edge will unfurl it in the airless environment of the moon. The implanting of the flag is symbolic of the first time man has landed on another celestial body, and does not constitute a territorial claim by the United States. The photograph on the right shows the flag in a furled condition. Apollo 11 astronauts Neil A. Armstrong, commander; and Edwin E. Aldrin Jr., lunar module pilot, will implant the flag after their Lunar Module (LM) sets down on the moon. Astronaut Michael Collins, command module pilot, will remain with the Command and Service Modules (CSM) in lunar orbit while Armstrong and Aldrin explore the lunar surface.

  15. Halogen lamp experiment, HALEX

    NASA Technical Reports Server (NTRS)

    Schmitt, G.; Stapelmann, J.

    1986-01-01

    The main purpose of the Halogen Lamp Experiment (HALEX) was to investigate the operation of a halogen lamp during an extended period in a microgravity environment and to prove its behavior in space. The Mirror Heating Facilities for Crystal Growth and Material Science Experiments in space relies on one or two halogen lamps as a furnace to melt the specimens. The HALEX aim is to verify: full power operation of a halogen lamp for a period of about 60 hours; achievement of about 10% of its terrestrial life span; and operation of the halogen lamp under conditions similar to furnace operation.

  16. 10 CFR 1002.21 - Description of distinguishing flag.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Description of distinguishing flag. 1002.21 Section 1002.21 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG Distinguishing Flag § 1002.21 Description of distinguishing flag. (a) The base or field of the flag shall be...

  17. The Halogen Bond

    PubMed Central

    2016-01-01

    The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design. PMID:26812185

  18. 46 CFR 282.11 - Ranking of flags.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Ranking of flags. 282.11 Section 282.11 Shipping... COMMERCE OF THE UNITED STATES Foreign-Flag Competition § 282.11 Ranking of flags. The operators under each... priority of costs which are representative of the flag. For liner cargo vessels, the ranking of operators...

  19. 10 CFR 1002.22 - Use of distinguishing flag.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Use of distinguishing flag. 1002.22 Section 1002.22 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG Distinguishing Flag § 1002.22 Use of distinguishing flag. (a) DOE distinguishing flags may be used only: (1) In the offices of the...

  20. VLA Hosts "Flag Across America"

    NASA Astrophysics Data System (ADS)

    2001-11-01

    The National Radio Astronomy Observatory (NRAO) hosted the runners and support personnel of the "Americans United Flag Across America" run as the transcontinental memorial and fundraising effort came through New Mexico. The flag run arrived at NRAO's Very Large Array (VLA) radio telescope west of Socorro, NM, early in the post-Midnight morning of Monday, November 5, and departed after sunrise that morning en route to the Arizona border. Drivers, runners and support personnel stayed overnight at the VLA. During the night, a "VLA Night Owl Run" kept the flag moving around the VLA area until the westward trek resumed after dawn. The run began Oct. 11, one month after the terrorist attacks on New York and Washington. Organized by employees of American and United Airlines to honor the flight crews lost in those attacks, to show support for U.S. troops and to raise funds to help the victims' families, the run will take an American flag from Boston Logan Airport to Los Angeles International Airport. The Boston-to-Los Angeles trip represents the intended journey of American Flight 11 and United Flight 175, both of which were crashed by terrorists into the World Trade Center. "Our observatory was proud to host this group and honored that they brought this flag through our facility," said Miller Goss, NRAO's director of VLA operations. The runners carried a flag that flew in a U.S. F-16 over Iraq in support of Operation Southern Watch on Oct. 2, and has visited Ground Zero in Manhattan. The flag is scheduled to arrive in Los Angeles on Veterans Day, Nov. 11. The National Radio Astronomy Observatory is a facility of the National Science Foundation, operated under cooperative agreement by Associated Universities, Inc.

  1. Halogenation of microcapsule walls

    NASA Technical Reports Server (NTRS)

    Davis, T. R.; Schaab, C. K.; Scott, J. C.

    1972-01-01

    Procedure for halogenation of confining walls of both gelatin and gelatin-phenolic resin capsules is similar to that used for microencapsulation. Ten percent halogen content renders capsule wall nonburning; any higher content enhances flame-retardant properties of selected internal phase material. Halogenation decreases permeability of wall material to encapsulated materials.

  2. Is halogen content the most important factor in the removal of halogenated trace organics by MBR treatment?

    PubMed

    Hai, Faisal I; Tadkaew, Nichanan; McDonald, James A; Khan, Stuart J; Nghiem, Long D

    2011-05-01

    This study investigated the relationship between physicochemical properties (namely halogen content and hydrophobicity) of halogenated trace organics and their removal efficiencies by a laboratory scale membrane bioreactor (MBR) under stable operating conditions. The reported results demonstrated a combined effect of halogen content and hydrophobicity on the removal. Compounds with high halogen content (>0.3) were well removed (>85%) when they possessed high hydrophobicity (Log D>3.2), while those with lower Log D values were also well removed if they had low halogen content (<0.1). General indices such as the BIOWIN index (which is based on only biodegradation) or a more specific index such as the halogen content (which captures a chemical aspect) appeared insufficient to predict the removal efficiency of halogenated compounds in MBR. Experimental data confirmed that the ratio of halogen content and Log D, which incorporates two important physico-chemical properties, is comparatively more suitable. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. American Colleges Raise the Flag in Vietnam

    ERIC Educational Resources Information Center

    Overland, Martha Ann

    2009-01-01

    More than 30 years after the U.S. ambassador was airlifted from the embassy rooftop in Saigon with the flag tucked under his arm, a new American flag is going up in the city. This one won't be flying over the embassy. The Stars and Stripes, as well as the Texas state flag, are going up at the Saigon Institute of Technology, the only Vietnamese…

  4. 49 CFR 393.87 - Warning flags on projecting loads.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 5 2012-10-01 2012-10-01 false Warning flags on projecting loads. 393.87 Section... ACCESSORIES NECESSARY FOR SAFE OPERATION Miscellaneous Parts and Accessories § 393.87 Warning flags on... load marked with red or orange fluorescent warning flags. Each warning flag must be at least 457 mm (18...

  5. 49 CFR 393.87 - Warning flags on projecting loads.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 5 2011-10-01 2011-10-01 false Warning flags on projecting loads. 393.87 Section... ACCESSORIES NECESSARY FOR SAFE OPERATION Miscellaneous Parts and Accessories § 393.87 Warning flags on... load marked with red or orange fluorescent warning flags. Each warning flag must be at least 457 mm (18...

  6. 49 CFR 393.87 - Warning flags on projecting loads.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 5 2013-10-01 2013-10-01 false Warning flags on projecting loads. 393.87 Section... ACCESSORIES NECESSARY FOR SAFE OPERATION Miscellaneous Parts and Accessories § 393.87 Warning flags on... load marked with red or orange fluorescent warning flags. Each warning flag must be at least 457 mm (18...

  7. 49 CFR 393.87 - Warning flags on projecting loads.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 5 2010-10-01 2010-10-01 false Warning flags on projecting loads. 393.87 Section... ACCESSORIES NECESSARY FOR SAFE OPERATION Miscellaneous Parts and Accessories § 393.87 Warning flags on... load marked with red or orange fluorescent warning flags. Each warning flag must be at least 457 mm (18...

  8. 49 CFR 393.87 - Warning flags on projecting loads.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 5 2014-10-01 2014-10-01 false Warning flags on projecting loads. 393.87 Section... ACCESSORIES NECESSARY FOR SAFE OPERATION Miscellaneous Parts and Accessories § 393.87 Warning flags on... load marked with red or orange fluorescent warning flags. Each warning flag must be at least 457 mm (18...

  9. RFI flagging implications for short-duration transients

    NASA Astrophysics Data System (ADS)

    Cendes, Y.; Prasad, P.; Rowlinson, A.; Wijers, R. A. M. J.; Swinbank, J. D.; Law, C. J.; van der Horst, A. J.; Carbone, D.; Broderick, J. W.; Staley, T. D.; Stewart, A. J.; Huizinga, F.; Molenaar, G.; Alexov, A.; Bell, M. E.; Coenen, T.; Corbel, S.; Eislöffel, J.; Fender, R.; Grießmeier, J.-M.; Jonker, P.; Kramer, M.; Kuniyoshi, M.; Pietka, M.; Stappers, B.; Wise, M.; Zarka, P.

    2018-04-01

    With their wide fields of view and often relatively long coverage of any position in the sky in imaging survey mode, modern radio telescopes provide a data stream that is naturally suited to searching for rare transients. However, Radio Frequency Interference (RFI) can show up in the data stream in similar ways to such transients, and thus the normal pre-treatment of filtering RFI (flagging) may also remove astrophysical transients from the data stream before imaging. In this paper we investigate how standard flagging affects the detectability of such transients by examining the case of transient detection in an observing mode used for Low Frequency Array (LOFAR; van Haarlem et al., 2013) surveys. We quantify the fluence range of transients that would be detected, and the reduction of their SNR due to partial flagging. We find that transients with a duration close to the integration sampling time, as well as bright transients with durations on the order of tens of seconds, are completely flagged. For longer transients on the order of several tens of seconds to minutes, the flagging effects are not as severe, although part of the signal is lost. For these transients, we present a modified flagging strategy which mitigates the effect of flagging on transient signals. We also present a script which uses the differences between the two strategies, and known differences between transient RFI and astrophysical transients, to notify the observer when a potential transient is in the data stream.

  10. Dissociative Photoionization of 1-Halogenated Silacyclohexanes: Silicon Traps the Halogen.

    PubMed

    Bodi, Andras; Sigurdardottir, Katrin Lilja; Kvaran, Ágúst; Bjornsson, Ragnar; Arnason, Ingvar

    2016-11-23

    The threshold photoelectron spectra and threshold photoionization mass spectra of 1-halogenated-1-silacyclohexanes, for the halogens X = F, Cl, Br, and I, have been obtained using synchrotron vacuum ultraviolet radiation and photoelectron photoion coincidence spectroscopy. As confirmed by a similar ionization onset and density functional theory molecular orbitals, the ionization to the ground state is dominated by electron removal from the silacyclohexane ring for X = F, Cl, and Br, and from the halogen lone pair for X = I. The breakdown diagrams show that the dissociative photoionization mechanism is also different for X = I. Whereas the parent ions decay by ethylene loss for X = F to Br in the low-energy regime, the iodine atom is lost for X = I. The first step is followed by a sequential ethylene loss at higher internal energies in each of the compounds. It is argued that the tendency of silicon to lower bond angles stabilizes the complex cation in which C 2 H 4 is η 2 -coordinated to it, and which precedes ethylene loss. Together with the relatively strong silicon-halogen bonds and the increased inductive effect of the silacyclohexane ring in stabilizing the cation, this explains the main differences observed in the fragmentation of the halogenated silacyclohexane and halogenated cyclohexane ions. The breakdown diagrams have been modeled taking into account slow dissociations at threshold and the resulting kinetic shift. The 0 K appearance energies have been obtained to within 0.08 eV for the ethylene loss for X = F to Br (10.56, 10.51, and 10.51 eV, respectively), the iodine atom loss for X = I (10.11 eV), the sequential ethylene loss for X = F to I (12.29, 12.01, 11.94, and 11.86 eV, respectively), and the minor channels of H loss for X = F (10.56 eV) and propylene loss in X = Cl (also at 10.56 eV). The appearance energies for the major channels likely correspond to the dissociative photoionization reaction energy.

  11. Boiling points of halogenated ethanes: an explanatory model implicating weak intermolecular hydrogen-halogen bonding.

    PubMed

    Beauchamp, Guy

    2008-10-23

    This study explores via structural clues the influence of weak intermolecular hydrogen-halogen bonds on the boiling point of halogenated ethanes. The plot of boiling points of 86 halogenated ethanes versus the molar refraction (linked to polarizability) reveals a series of straight lines, each corresponding to one of nine possible arrangements of hydrogen and halogen atoms on the two-carbon skeleton. A multiple linear regression model of the boiling points could be designed based on molar refraction and subgroup structure as independent variables (R(2) = 0.995, standard error of boiling point 4.2 degrees C). The model is discussed in view of the fact that molar refraction can account for approximately 83.0% of the observed variation in boiling point, while 16.5% could be ascribed to weak C-X...H-C intermolecular interactions. The difference in the observed boiling point of molecules having similar molar refraction values but differing in hydrogen-halogen intermolecular bonds can reach as much as 90 degrees C.

  12. Halogen Chemistry in the CMAQ Model

    EPA Science Inventory

    Halogens (iodine and bromine) emitted from oceans alter atmospheric chemistry and influence atmospheric ozone mixing ratio. We previously incorporated a representation of detailed halogen chemistry and emissions of organic and inorganic halogen species into the hemispheric Commun...

  13. 3 CFR 8391 - Proclamation 8391 of June 11, 2009. Flag Day and National Flag Week, 2009

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... America A Proclamation In the midst of a war for our Nation's independence, on June 14, 1777, the Second... America's promise and guides us toward a brighter tomorrow. To commemorate the adoption of our flag, the... toward equality and justice for all. Our flag's journey has been long. It has seen our Nation through war...

  14. 3 CFR 8689 - Proclamation 8689 of June 10, 2011. Flag Day and National Flag Week, 2011

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... America A Proclamation On June 14, 1777, the Second Constitutional Congress adopted a flag with thirteen... were set upon a blue field, in the words of the Congress’s resolution, “representing a new... American flag has been ever present. It has flown on our ships and military bases around the world as we...

  15. 49 CFR 218.37 - Flag protection.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Flag protection. 218.37 Section 218.37..., DEPARTMENT OF TRANSPORTATION RAILROAD OPERATING PRACTICES Protection of Trains and Locomotives § 218.37 Flag protection. (a) After August 1, 1977, each railroad must have in effect an operating rule which complies with...

  16. Evidence for Interfacial Halogen Bonding.

    PubMed

    Swords, Wesley B; Simon, Sarah J C; Parlane, Fraser G L; Dean, Rebecca K; Kellett, Cameron W; Hu, Ke; Meyer, Gerald J; Berlinguette, Curtis P

    2016-05-10

    A homologous series of donor-π-acceptor dyes was synthesized, differing only in the identity of the halogen substituents about the triphenylamine (TPA; donor) portion of each molecule. Each Dye-X (X=F, Cl, Br, and I) was immobilized on a TiO2 surface to investigate how the halogen substituents affect the reaction between the light-induced charge-separated state, TiO2 (e(-) )/Dye-X(+) , with iodide in solution. Transient absorption spectroscopy showed progressively faster reactivity towards nucleophilic iodide with more polarizable halogen substituents: Dye-F < Dye-Cl < Dye-Br < Dye-I. Given that all other structural and electronic properties for the series are held at parity, with the exception of an increasingly larger electropositive σ-hole on the heavier halogens, the differences in dye regeneration kinetics for Dye-Cl, Dye-Br, and Dye-I are ascribed to the extent of halogen bonding with the nucleophilic solution species. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Tropospheric Halogen Chemistry

    NASA Astrophysics Data System (ADS)

    von Glasow, R.; Crutzen, P. J.

    2003-12-01

    Halogens are very reactive chemicals that are known to play an important role in anthropogenic stratospheric ozone depletion chemistry, first recognized by Molina and Rowland (1974). However, they also affect the chemistry of the troposphere. They are of special interest because they are involved in many reaction cycles that can affect the oxidation power of the atmosphere indirectly by influencing the main oxidants O3 and its photolysis product OH and directly, e.g., by reactions of the Cl radical with hydrocarbons (e.g., CH4).Already by the middle of the nineteenth century, Marchand (1852) reported the presence of bromine and iodine in rain and other natural waters. He also mentions the benefits of iodine in drinking water through the prevention of goitres and cretinism. In a prophetic monograph "Air and Rain: The Beginnings of a Chemical Climatology," Smith (1872) describes measurements of chloride in rain water, which he states to originate partly from the oceans by a process that he compares with the bursting of "soap bubbles" which produces "small vehicles" that transfer small spray droplets of seawater to the air. From deviations of the sulfate-to-chloride ratio in coastal rain compared to seawater, Smith concluded that chemical processes occur once the particles are airborne.For almost a century thereafter, however, atmospheric halogens received little attention. One exception was the work by Cauer (1939), who reported that iodine pollution has been significant in Western and Central Europe due to the inefficient burning of seaweed, causing mean gas phase atmospheric concentrations as high as or greater than 0.5 μg m-3. In his classical textbook Air Chemistry and Radioactivity, Junge (1963) devoted less than three pages to halogen gas phase chemistry, discussing chlorine and iodine. As reviewed by Eriksson (1959a, b), the main atmospheric source of halogens is sea salt, derived from the bursting of bubbles of air which are produced by ocean waves and other

  18. Halogenated solvent remediation

    DOEpatents

    Sorenson, Jr., Kent S.

    2008-11-11

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. An illustrative method includes adding an electron donor for microbe-mediated anaerobic reductive dehalogenation of the halogenated solvents, which electron donor enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative electron donors include C.sub.2-C.sub.4 carboxylic acids and hydroxy acids, salts thereof, esters of C.sub.2-C.sub.4 carboxylic acids and hydroxy acids, and mixtures thereof, of which lactic acid, salts of lactic acid--such as sodium lactate, lactate esters, and mixtures thereof are particularly illustrative. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the electron donor.

  19. Vertical Feature Mask Feature Classification Flag Extraction

    Atmospheric Science Data Center

    2013-03-28

      Vertical Feature Mask Feature Classification Flag Extraction This routine demonstrates extraction of the ... in a CALIPSO Lidar Level 2 Vertical Feature Mask feature classification flag value. It is written in Interactive Data Language (IDL) ...

  20. Halogenated boron-dipyrromethenes: synthesis, properties and applications.

    PubMed

    Lakshmi, Vellanki; Rao, Malakalapalli Rajeswara; Ravikanth, Mangalampalli

    2015-03-07

    Boron-dipyrromethene dyes (BODIPYs) containing halogens at pyrrole carbons are very useful synthons for the synthesis of a variety of BOIDPYs for a wide range of applications. Among the functional groups, halogens are the functional groups which can be regiospecifically introduced at any desired pyrrole carbon of the BODIPY framework by adopting appropriate synthetic strategies. The halogenated BODIPYs can undergo facile nucleophilic substitution reactions to prepare several interesting BODIPY based compounds. This review describes the synthesis, properties and potential applications of halogenated BODIPYs containing one to six halogens at the pyrrole carbons of the BODIPY core as well as properties and applications of some of the substituted BODIPYs derived from halogenated BODIPYs.

  1. Aerosol-halogen interaction: Change of physico-chemical properties of SOA by naturally released halogen species

    NASA Astrophysics Data System (ADS)

    Ofner, J.; Balzer, N.; Buxmann, J.; Grothe, H.; Krüger, H.; Platt, U.; Schmitt-Kopplin, P.; Zetzsch, C.

    2011-12-01

    Reactive halogen species are released by various sources like photo-activated sea-salt aerosol or salt pans and salt lakes. These heterogeneous release mechanisms have been overlooked so far, although their potential of interaction with organic aerosols like Secondary Organic Aerosol (SOA), Biomass Burning Organic Aerosol (BBOA) or Atmospheric Humic LIke Substances (HULIS) is completely unknown. Such reactions can constitute sources of gaseous organo-halogen compounds or halogenated organic particles in the atmospheric boundary layer. To study the interaction of organic aerosols with reactive halogen species (RHS), SOA was produced from α-pinene, catechol and guaiacol using an aerosol smog-chamber. The model SOAs were characterized in detail using a variety of physico-chemical methods (Ofner et al., 2011). Those aerosols were exposed to molecular halogens in the presence of UV/VIS irradiation and to halogens, released from simulated natural halogen sources like salt pans, in order to study the complex aerosol-halogen interaction. The heterogeneous reaction of RHS with those model aerosols leads to different gaseous species like CO2, CO and small reactive/toxic molecules like phosgene (COCl2). Hydrogen containing groups on the aerosol particles are destroyed to form HCl or HBr, and a significant formation of C-Br bonds could be verified in the particle phase. Carbonyl containing functional groups of the aerosol are strongly affected by the halogenation process. While changes of functional groups and gaseous species were visible using FTIR spectroscopy, optical properties were studied using Diffuse Reflectance UV/VIS spectroscopy. Overall, the optical properties of the processed organic aerosols are significantly changed. While chlorine causes a "bleaching" of the aerosol particles, bromine shifts the maximum of UV/VIS absorption to the red end of the UV/VIS spectrum. Further physico-chemical changes were recognized according to the aerosol size-distributions or the

  2. Halogen bond: a long overlooked interaction.

    PubMed

    Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo

    2015-01-01

    Because of their high electronegativity, halogen atoms are typically considered, in most of their derivatives, as sites of high electron density and it is commonly accepted that they can form attractive interactions by functioning as the electron donor site (nucleophilic site). This is the case when they work as hydrogen bond acceptor sites. However, the electron density in covalently bound halogens is anisotropically distributed. There is a region of higher electron density, accounting for the ability of halogens to function as electron donor sites in attractive interactions, and a region of lower electron density where the electrostatic potential is frequently positive (mainly in the heavier halogens). This latter region is responsible for the ability of halogen atoms to function as the electron-acceptor site (electrophilic site) in attractive interactions formed with a variety of lone pair-possessing atoms, anions, and π-systems. This ability is quite general and is shown by a wide diversity of halogenated compounds (e.g., organohalogen derivatives and dihalogens). According to the definition proposed by the International Union of Pure and Applied Chemistry, any attractive interactions wherein the halogen atom is the electrophile is named halogen bond (XB). In this chapter, it is discussed how the practice and the concept of XB developed and a brief history of the interaction is presented. Papers (either from the primary or secondary literature) which have reported major experimental findings in the field or which have given important theoretical contributions for the development of the concept are recollected in order to trace how a unifying and comprehensive categorization emerged encompassing all interactions wherein halogen atoms function as the electrophilic site.

  3. Halogen bonding in solution: thermodynamics and applications.

    PubMed

    Beale, Thomas M; Chudzinski, Michael G; Sarwar, Mohammed G; Taylor, Mark S

    2013-02-21

    Halogen bonds are noncovalent interactions in which covalently bound halogens act as electrophilic species. The utility of halogen bonding for controlling self-assembly in the solid state is evident from a broad spectrum of applications in crystal engineering and materials science. Until recently, it has been less clear whether, and to what extent, halogen bonding could be employed to influence conformation, binding or reactivity in the solution phase. This tutorial review summarizes and interprets solution-phase thermodynamic data for halogen bonding interactions obtained over the past six decades and highlights emerging applications in molecular recognition, medicinal chemistry and catalysis.

  4. Adsorption of halogens on metal surfaces

    NASA Astrophysics Data System (ADS)

    Andryushechkin, B. V.; Pavlova, T. V.; Eltsov, K. N.

    2018-06-01

    This paper presents a review of the experimental and theoretical investigations of halogen interaction with metal surfaces. The emphasis was placed on the recent measurements performed with a scanning tunneling microscope in combination with density functional theory calculations. The surface structures formed on metal surface after halogen interaction are classified into three groups: chemisorbed monolayer, surface halide, bulk-like halide. Formation of monolayer structures is described in terms of surface phase transitions. Surface halide phases are considered to be intermediates between chemisorbed halogen and bulk halide. The modern theoretical approaches in studying the dynamics of metal halogenation reactions are also presented.

  5. Halogenated solvent remediation

    DOEpatents

    Sorenson, Kent S.

    2004-08-31

    Methods for enhancing bioremediation of ground water contaminated with nonaqueous halogenated solvents are disclosed. A preferred method includes adding a composition to the ground water wherein the composition is an electron donor for microbe-mediated reductive dehalogenation of the halogenated solvents and enhances mass transfer of the halogenated solvents from residual source areas into the aqueous phase of the ground water. Illustrative compositions effective in these methods include surfactants such as C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, salts thereof, esters of C.sub.2 -C.sub.4 carboxylic acids and hydroxy acids, and mixtures thereof. Especially preferred compositions for use in these methods include lactic acid, salts of lactic acid, such as sodium lactate, lactate esters, and mixtures thereof. The microbes are either indigenous to the ground water, or such microbes can be added to the ground water in addition to the composition.

  6. What’s New in Enzymatic Halogenations

    PubMed Central

    Fujimori, Danica Galoniæ; Walsh, Christopher T.

    2007-01-01

    Summary The halogenation of thousands of natural products occurs during biosynthesis and often confers important functional properties. While haloperoxidases had been the default paradigm for enzymatic incorporation of halogens, via X+ equivalents into organic scaffolds, a combination of microbial genome sequencing, enzymatic studies and structural biology have provided deep new insights into enzymatic transfer of halide equivalents in three oxidation states. These are: (1) the halide ions (X−) abundant in nature, (2) halogen atoms (X•), and (3) the X+ equivalents. The mechanism of halogen incorporation is tailored to the electronic demands of specific substrates and involves enzymes with distinct redox coenzyme requirements. PMID:17881282

  7. 10 CFR 1002.31 - Unauthorized uses of the seal and flag.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Unauthorized uses of the seal and flag. 1002.31 Section 1002.31 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG Unauthorized Uses § 1002.31 Unauthorized uses of the seal and flag. The official seal and distinguishing flag...

  8. 10 CFR 1002.31 - Unauthorized uses of the seal and flag.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Unauthorized uses of the seal and flag. 1002.31 Section 1002.31 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG Unauthorized Uses § 1002.31 Unauthorized uses of the seal and flag. The official seal and distinguishing flag...

  9. Halogenated arsenenes as Dirac materials

    NASA Astrophysics Data System (ADS)

    Tang, Wencheng; Sun, Minglei; Ren, Qingqiang; Wang, Sake; Yu, Jin

    2016-07-01

    Arsenene is the graphene-like arsenic nanosheet, which has been predicted very recently [S. Zhang, Z. Yan, Y. Li, Z. Chen, and H. Zeng, Angewandte Chemie, 127 (2015) 3155-3158]. Using first-principles calculations, we systematically investigate the structures and electronic properties of fully-halogenated arsenenes. Formation energy analysis reveals that all the fully-halogenated arsenenes except iodinated arsenene are energetically favorable and could be synthesized. We have revealed the presence of Dirac cone in fully-halogenated arsenene compounds. They may have great potential applications in next generation of high-performance devices.

  10. Metal halogen battery construction with improved technique for producing halogen hydrate

    DOEpatents

    Fong, Walter L.; Catherino, Henry A.; Kotch, Richard J.

    1983-01-01

    An improved electrical energy storage system comprising, at least one cell having a positive electrode and a negative electrode separated by aqueous electrolyte, a store means wherein halogen hydrate is formed and stored as part of an aqueous material having a liquid level near the upper part of the store, means for circulating electrolyte through the cell, conduit means for transmitting halogen gas formed in the cell to a hydrate forming apparatus associated with the store, said hydrate forming apparatus including, a pump to which there is introduced quantities of the halogen gas and chilled water, said pump being located in the store and an outlet conduit leading from the pump and being substantially straight and generally vertically disposed and having an exit discharge into the gas space above the liquid level in the store, and wherein said hydrate forming apparatus is highly efficient and very resistant to plugging or jamming. The disclosure also relates to an improved method for producing chlorine hydrate in zinc chlorine batteries.

  11. 77 FR 35807 - Flag Day and National Flag Week, 2012

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-15

    .... Generations of service members have raised our country's colors over military bases and at sea, and... Day and National Flag Week, 2012 By the President of the United States of America A Proclamation... Woodrow Wilson asked us to ``stand with united hearts for an America which no man can corrupt, no...

  12. Halogenated compounds from marine algae.

    PubMed

    Cabrita, Maria Teresa; Vale, Carlos; Rauter, Amélia Pilar

    2010-08-09

    Marine algae produce a cocktail of halogenated metabolites with potential commercial value. Structures exhibited by these compounds go from acyclic entities with a linear chain to complex polycyclic molecules. Their medical and pharmaceutical application has been investigated for a few decades, however other properties, such as antifouling, are not to be discarded. Many compounds were discovered in the last years, although the need for new drugs keeps this field open as many algal species are poorly screened. The ecological role of marine algal halogenated metabolites has somehow been overlooked. This new research field will provide valuable and novel insight into the marine ecosystem dynamics as well as a new approach to comprehending biodiversity. Furthermore, understanding interactions between halogenated compound production by algae and the environment, including anthropogenic or global climate changes, is a challenging target for the coming years. Research of halogenated metabolites has been more focused on macroalgae than on phytoplankton. However, phytoplankton could be a very promising material since it is the base of the marine food chain with quick adaptation to environmental changes, which undoubtedly has consequences on secondary metabolism. This paper reviews recent progress on this field and presents trends on the role of marine algae as producers of halogenated compounds.

  13. Halogenated Compounds from Marine Algae

    PubMed Central

    Cabrita, Maria Teresa; Vale, Carlos; Rauter, Amélia Pilar

    2010-01-01

    Marine algae produce a cocktail of halogenated metabolites with potential commercial value. Structures exhibited by these compounds go from acyclic entities with a linear chain to complex polycyclic molecules. Their medical and pharmaceutical application has been investigated for a few decades, however other properties, such as antifouling, are not to be discarded. Many compounds were discovered in the last years, although the need for new drugs keeps this field open as many algal species are poorly screened. The ecological role of marine algal halogenated metabolites has somehow been overlooked. This new research field will provide valuable and novel insight into the marine ecosystem dynamics as well as a new approach to comprehending biodiversity. Furthermore, understanding interactions between halogenated compound production by algae and the environment, including anthropogenic or global climate changes, is a challenging target for the coming years. Research of halogenated metabolites has been more focused on macroalgae than on phytoplankton. However, phytoplankton could be a very promising material since it is the base of the marine food chain with quick adaptation to environmental changes, which undoubtedly has consequences on secondary metabolism. This paper reviews recent progress on this field and presents trends on the role of marine algae as producers of halogenated compounds. PMID:20948909

  14. Structural Perspective on Enzymatic Halogenation

    PubMed Central

    2008-01-01

    Simple halogen substituents frequently afford key structural features that account for the potency and selectivity of natural products, including antibiotics and hormones. For example, when a single chlorine atom on the antibiotic vancomycin is replaced by hydrogen, the resulting antibacterial activity decreases by up to 70% (HarrisC. M.; KannanR.; KopeckaH.; HarrisT. M.J. Am. Chem. Soc.1985, 107, 6652−6658). This Account analyzes how structure underlies mechanism in halogenases, the molecular machines designed by nature to incorporate halogens into diverse substrates. Traditional synthetic methods of integrating halogens into complex molecules are often complicated by a lack of specificity and regioselectivity. Nature, however, has developed a variety of elegant mechanisms for halogenating specific substrates with both regio- and stereoselectivity. An improved understanding of the biological routes toward halogenation could lead to the development of novel synthetic methods for the creation of new compounds with enhanced functions. Already, researchers have co-opted a fluorinase from the microorganism Streptomyces cattleya to produce 18F-labeled molecules for use in positron emission tomography (PET) (DengH.; CobbS. L.; GeeA. D.; LockhartA.; MartarelloL.; McGlincheyR. P.; O’HaganD.; OnegaM.Chem. Commun.2006, 652−654). Therefore, the discovery and characterization of naturally occurring enzymatic halogenation mechanisms has become an active area of research. The catalogue of known halogenating enzymes has expanded from the familiar haloperoxidases to include oxygen-dependent enzymes and fluorinases. Recently, the discovery of a nucleophilic halogenase that catalyzes chlorinations has expanded the repertoire of biological halogenation chemistry (DongC.; HuangF.; DengH.; SchaffrathC.; SpencerJ. B.; O’HaganD.; NaismithJ. H.Nature2004, 427, 561−56514765200). Structural characterization has provided a basis toward a mechanistic understanding of the specificity

  15. Independent Evolution of Six Families of Halogenating Enzymes.

    PubMed

    Xu, Gangming; Wang, Bin-Gui

    2016-01-01

    Halogenated natural products are widespread in the environment, and the halogen atoms are typically vital to their bioactivities. Thus far, six families of halogenating enzymes have been identified: cofactor-free haloperoxidases (HPO), vanadium-dependent haloperoxidases (V-HPO), heme iron-dependent haloperoxidases (HI-HPO), non-heme iron-dependent halogenases (NI-HG), flavin-dependent halogenases (F-HG), and S-adenosyl-L-methionine (SAM)-dependent halogenases (S-HG). However, these halogenating enzymes with similar biological functions but distinct structures might have evolved independently. Phylogenetic and structural analyses suggest that the HPO, V-HPO, HI-HPO, NI-HG, F-HG, and S-HG enzyme families may have evolutionary relationships to the α/β hydrolases, acid phosphatases, peroxidases, chemotaxis phosphatases, oxidoreductases, and SAM hydroxide adenosyltransferases, respectively. These halogenating enzymes have established sequence homology, structural conservation, and mechanistic features within each family. Understanding the distinct evolutionary history of these halogenating enzymes will provide further insights into the study of their catalytic mechanisms and halogenation specificity.

  16. Independent Evolution of Six Families of Halogenating Enzymes

    PubMed Central

    Xu, Gangming; Wang, Bin-Gui

    2016-01-01

    Halogenated natural products are widespread in the environment, and the halogen atoms are typically vital to their bioactivities. Thus far, six families of halogenating enzymes have been identified: cofactor-free haloperoxidases (HPO), vanadium-dependent haloperoxidases (V-HPO), heme iron-dependent haloperoxidases (HI-HPO), non-heme iron-dependent halogenases (NI-HG), flavin-dependent halogenases (F-HG), and S-adenosyl-L-methionine (SAM)-dependent halogenases (S-HG). However, these halogenating enzymes with similar biological functions but distinct structures might have evolved independently. Phylogenetic and structural analyses suggest that the HPO, V-HPO, HI-HPO, NI-HG, F-HG, and S-HG enzyme families may have evolutionary relationships to the α/β hydrolases, acid phosphatases, peroxidases, chemotaxis phosphatases, oxidoreductases, and SAM hydroxide adenosyltransferases, respectively. These halogenating enzymes have established sequence homology, structural conservation, and mechanistic features within each family. Understanding the distinct evolutionary history of these halogenating enzymes will provide further insights into the study of their catalytic mechanisms and halogenation specificity. PMID:27153321

  17. 76 FR 35087 - Flag Day and National Flag Week, 2011

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-06-15

    ... United States of America A Proclamation On June 14, 1777, the Second Constitutional Congress adopted a... founding colonies. The stars were set upon a blue field, in the words of the Congress's resolution... faced, the American flag has been ever present. It has flown on our ships and military bases around the...

  18. Halogen-bonding-triggered supramolecular gel formation

    NASA Astrophysics Data System (ADS)

    Meazza, Lorenzo; Foster, Jonathan A.; Fucke, Katharina; Metrangolo, Pierangelo; Resnati, Giuseppe; Steed, Jonathan W.

    2013-01-01

    Supramolecular gels are topical soft materials involving the reversible formation of fibrous aggregates using non-covalent interactions. There is significant interest in controlling the properties of such materials by the formation of multicomponent systems, which exhibit non-additive properties emerging from interaction of the components. The use of hydrogen bonding to assemble supramolecular gels in organic solvents is well established. In contrast, the use of halogen bonding to trigger supramolecular gel formation in a two-component gel (‘co-gel’) is essentially unexplored, and forms the basis for this study. Here, we show that halogen bonding between a pyridyl substituent in a bis(pyridyl urea) and 1,4-diiodotetrafluorobenzene brings about gelation, even in polar media such as aqueous methanol and aqueous dimethylsulfoxide. This demonstrates that halogen bonding is sufficiently strong to interfere with competing gel-inhibitory interactions and create a ‘tipping point’ in gel assembly. Using this concept, we have prepared a halogen bond donor bis(urea) gelator that forms co-gels with halogen bond acceptors.

  19. Regulated and unregulated halogenated disinfection byproduct formation from chlorination of saline groundwater.

    PubMed

    Szczuka, Aleksandra; Parker, Kimberly M; Harvey, Cassandra; Hayes, Erin; Vengosh, Avner; Mitch, William A

    2017-10-01

    Coastal utilities exploiting mildly saline groundwater (<150 mg/L chloride) may be challenged by disinfection byproduct (DBP) formation, a concern likely to increase with sea-level rise. Groundwater from North Carolina coastal aquifers is characterized by large variations in concentrations of halides (bromide up to 10,600 μg/L) and dissolved organic carbon (up to 5.7 mg-C/L). Formation of 33 regulated and unregulated halogenated DBPs, including trihalomethanes (THMs), haloacetic acids (HAAs), haloacetonitriles, haloacetamides, and haloacetaldehydes, was measured after simulated chlorination of 24 coastal North Carolina groundwater samples under typical chlorination conditions. Results of chlorination simulation show that THM levels exceeded the Primary Maximum Contaminant Levels in half of the chlorinated samples. Addition of halides to a low salinity groundwater (110 mg/L chloride) indicated that elevated bromide triggered DBP formation, but chloride was not a critical factor for their formation. DBP speciation, but not overall molar formation, was strongly correlated with bromide variations in the groundwater. THMs and HAAs dominated the measured halogenated DBPs on a mass concentration basis. When measured concentrations were weighted by metrics of toxic potency, haloacetonitriles, and to a lesser degree, haloacetaldehydes and HAAs, were the predominant contributors to calculated DBP-associated toxicity. For some samples exhibiting elevated ammonia concentrations, the addition of chlorine to form chloramines in situ significantly reduced halogenated DBP concentrations and calculated toxicity. HAAs dominated the calculated toxicity of chloraminated waters. Reverse osmosis treatment of saline groundwater (chloride >250 mg/L) can reduce DBP formation by removing halides and organic precursors. However, we show that in a case where reverse osmosis permeate is blended with a separate raw groundwater, the residual bromide level in the permeate could still exceed

  20. QTL mapping of flag leaf-related traits in wheat (Triticum aestivum L.).

    PubMed

    Liu, Kaiye; Xu, Hao; Liu, Gang; Guan, Panfeng; Zhou, Xueyao; Peng, Huiru; Yao, Yingyin; Ni, Zhongfu; Sun, Qixin; Du, Jinkun

    2018-04-01

    QTL controlling flag leaf length, flag leaf width, flag leaf area and flag leaf angle were mapped in wheat. This study aimed to advance our understanding of the genetic mechanisms underlying morphological traits of the flag leaves of wheat (Triticum aestivum L.). A recombinant inbred line (RIL) population derived from ND3331 and the Tibetan semi-wild wheat Zang1817 was used to identify quantitative trait loci (QTLs) controlling flag leaf length (FLL), flag leaf width (FLW), flag leaf area (FLA), and flag leaf angle (FLANG). Using an available simple sequence repeat genetic linkage map, 23 putative QTLs for FLL, FLW, FLA, and FLANG were detected on chromosomes 1B, 2B, 3A, 3D, 4B, 5A, 6B, 7B, and 7D. Individual QTL explained 4.3-68.52% of the phenotypic variance in different environments. Four QTLs for FLL, two for FLW, four for FLA, and five for FLANG were detected in at least two environments. Positive alleles of 17 QTLs for flag leaf-related traits originated from ND3331 and 6 originated from Zang1817. QTLs with pleiotropic effects or multiple linked QTL were also identified on chromosomes 1B, 4B, and 5A; these are potential target regions for fine-mapping and marker-assisted selection in wheat breeding programs.

  1. Treatment System for Removing Halogenated Compounds from Contaminated Sources

    NASA Technical Reports Server (NTRS)

    Clausen, Christian A. (Inventor); Yestrebsky, Cherie L. (Inventor); Quinn, Jacqueline W. (Inventor)

    2015-01-01

    A treatment system and a method for removal of at least one halogenated compound, such as PCBs, found in contaminated systems are provided. The treatment system includes a polymer blanket for receiving at least one non-polar solvent. The halogenated compound permeates into or through a wall of the polymer blanket where it is solubilized with at least one non-polar solvent received by said polymer blanket forming a halogenated solvent mixture. This treatment system and method provides for the in situ removal of halogenated compounds from the contaminated system. In one embodiment, the halogenated solvent mixture is subjected to subsequent processes which destroy and/or degrade the halogenated compound.

  2. Passivation of quartz for halogen-containing light sources

    DOEpatents

    Falkenstein, Zoran

    1999-01-01

    Lifetime of halogen containing VUV, UV, visible or IR light sources can be extended by passivating the quartz or glass gas containers with halogens prior to filling the quartz with the halogen and rare gas mixtures used to produce the light.

  3. METHOD FOR PRODUCING ISOTOPIC METHANES AND PARTIALLY HALOGENATED DERIVATIVES THEROF

    DOEpatents

    Frazer, J.W.

    1959-08-18

    A method is given for producing isotopic methanes and/ or partially halogenated derivatives. Lithium hydride, deuteride, or tritide is reacted with a halogenated methane or with a halogenated methane in combination with free halogen. The process is conveniently carried out by passing a halogenated methane preferably at low pressures or in an admixture with an inert gas through a fixed bed of finely divided lithium hydride heated initially to temperatures of 100 to 200 deg C depending upon the halogenated methane used.

  4. 78 FR 36311 - Flag Recognition Benefit for Fallen Federal Civilian Employees

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-17

    ... Recognition Benefit for Fallen Federal Civilian Employees; Submission for Review: Application for U.S. Flag... PERSONNEL MANAGEMENT 5 CFR Part 550 RIN 3206-AM58 Flag Recognition Benefit for Fallen Federal Civilian... United States flag recognition benefit for fallen Federal civilian employees, and describe the...

  5. Experimental and computational evidence of halogen bonds involving astatine

    NASA Astrophysics Data System (ADS)

    Guo, Ning; Maurice, Rémi; Teze, David; Graton, Jérôme; Champion, Julie; Montavon, Gilles; Galland, Nicolas

    2018-03-01

    The importance of halogen bonds—highly directional interactions between an electron-deficient σ-hole moiety in a halogenated compound and an acceptor such as a Lewis base—is being increasingly recognized in a wide variety of fields from biomedicinal chemistry to materials science. The heaviest halogens are known to form stronger halogen bonds, implying that if this trend continues down the periodic table, astatine should exhibit the highest halogen-bond donating ability. This may be mitigated, however, by the relativistic effects undergone by heavy elements, as illustrated by the metallic character of astatine. Here, the occurrence of halogen-bonding interactions involving astatine is experimentally evidenced. The complexation constants of astatine monoiodide with a series of organic ligands in cyclohexane solution were derived from distribution coefficient measurements and supported by relativistic quantum mechanical calculations. Taken together, the results show that astatine indeed behaves as a halogen-bond donor—a stronger one than iodine—owing to its much more electrophilic σ-hole.

  6. Transition from metal-ligand bonding to halogen bonding involving a metal as halogen acceptor a study of Cu, Ag, Au, Pt, and Hg complexes

    NASA Astrophysics Data System (ADS)

    Oliveira, Vytor; Cremer, Dieter

    2017-08-01

    Utilizing all-electron Dirac-exact relativistic calculations with the Normalized Elimination of the Small Component (NESC) method and the local vibrational mode approach, the transition from metal-halide to metal halogen bonding is determined for Au-complexes interacting with halogen-donors. The local stretching force constants of the metal-halogen interactions reveal a smooth transition from weak non-covalent halogen bonding to non-classical 3-center-4-electron bonding and finally covalent metal-halide bonding. The strongest halogen bonds are found for dialkylaurates interacting with Cl2 or FCl. Differing trends in the intrinsic halogen-metal bond strength, the binding energy, and the electrostatic potential are explained.

  7. 10 CFR 1002.3 - Custody of official seal and distinguishing flags.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 10 Energy 4 2011-01-01 2011-01-01 false Custody of official seal and distinguishing flags. 1002.3 Section 1002.3 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG General § 1002.3 Custody of official seal and distinguishing flags. The Secretary or his designee shall...

  8. 10 CFR 1002.3 - Custody of official seal and distinguishing flags.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 4 2010-01-01 2010-01-01 false Custody of official seal and distinguishing flags. 1002.3 Section 1002.3 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS) OFFICIAL SEAL AND DISTINGUISHING FLAG General § 1002.3 Custody of official seal and distinguishing flags. The Secretary or his designee shall...

  9. 10 CFR 1.55 - Establishment of official NRC flag.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 10 Energy 1 2010-01-01 2010-01-01 false Establishment of official NRC flag. 1.55 Section 1.55 Energy NUCLEAR REGULATORY COMMISSION STATEMENT OF ORGANIZATION AND GENERAL INFORMATION NRC Seal and Flag... dark blue field with a gold fringe. ...

  10. FIRE! A Red Flag Tap in Reclaiming Intervention

    ERIC Educational Resources Information Center

    Bodnar, Brian

    2007-01-01

    "Red Flag Interventions" address problems which are imported from elsewhere and acted out towards persons who are in effect innocent bystanders. This is commonly seen as students "carry in" problems from the home or street to school, or they "carry over" conflicts from one class to the next. A third variation of Red Flag intervention is when a…

  11. The halogen bond: Nature and applications

    NASA Astrophysics Data System (ADS)

    Costa, Paulo J.

    2017-10-01

    The halogen bond, corresponding to an attractive interaction between an electrophilic region in a halogen (X) and a nucleophile (B) yielding a R-X⋯B contact, found applications in many fields such as supramolecular chemistry, crystal engineering, medicinal chemistry, and chemical biology. Their large range of applications also led to an increased interest in their study using computational methods aiming not only at understanding the phenomena at a fundamental level, but also to help in the interpretation of results and guide the experimental work. Herein, a succinct overview of the recent theoretical and experimental developments is given starting by discussing the nature of the halogen bond and the latest theoretical insights on this topic. Then, the effects of the surrounding environment on halogen bonds are presented followed by a presentation of the available method benchmarks. Finally, recent experimental applications where the contribution of computational chemistry was fundamental are discussed, thus highlighting the synergy between the lab and modeling techniques.

  12. Magnesium Bisamide-Mediated Halogen Dance of Bromothiophenes.

    PubMed

    Yamane, Yoshiki; Sunahara, Kazuhiro; Okano, Kentaro; Mori, Atsunori

    2018-03-16

    A magnesium bisamide-mediated halogen dance of bromothiophenes is described. The thienylmagnesium species generated in situ is more stable than the corresponding thienyllithium species, which was applied to trap the transient anion species with several electrophiles, such as allyl iodide, phenyl isocyanate, and tributylstannyl chloride. The utility of the magnesium bisamide-mediated halogen dance is useful in the concise synthesis of a medicinally advantageous compound via a one-pot, ester-directed halogen dance/Negishi cross coupling.

  13. Experimental investigation of flow field around the elastic flag flapping in periodic state

    NASA Astrophysics Data System (ADS)

    Jia, Yongxia; Jia, Lichao; Su, Zhuang; Yuan, Huijing

    2018-05-01

    The flapping of a flag in the wind is a classical fluid-structure problem that concerns the interaction of elastic bodies with ambient fluid. We focus on the desirable experimental results of the flow around the flapping flag. By immersing the elastic yet self-supporting heavy flag into water flow, we use particle image velocimetry (PIV) techniques to obtain the whole flow field around the midspan of the flag interacting with a fluid in periodic state. A unique PIV image processing method is used to measure near-wall flow velocities around a moving elastic flag. There exists a thin flow circulation region on the suction side of the flag in periodic state. This observation suggests that viscous flow models may be needed to improve the theoretical predictions of the flapping flag in periodic state, especially in a large amplitude.

  14. Hydrogen bond and halogen bond inside the carbon nanotube

    NASA Astrophysics Data System (ADS)

    Wang, Weizhou; Wang, Donglai; Zhang, Yu; Ji, Baoming; Tian, Anmin

    2011-02-01

    The hydrogen bond and halogen bond inside the open-ended single-walled carbon nanotubes have been investigated theoretically employing the newly developed density functional M06 with the suitable basis set and the natural bond orbital analysis. Comparing with the hydrogen or halogen bond in the gas phase, we find that the strength of the hydrogen or halogen bond inside the carbon nanotube will become weaker if there is a larger intramolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom donor to the antibonding orbital of the X-H or X-Hal bond involved in the formation of the hydrogen or halogen bond and will become stronger if there is a larger intermolecular electron-density transfer from the electron-rich region of the hydrogen or halogen atom acceptor to the antibonding orbital of the X-H or X-Hal bond. According to the analysis of the molecular electrostatic potential of the carbon nanotube, the driving force for the electron-density transfer is found to be the negative electric field formed in the carbon nanotube inner phase. Our results also show that the X-H bond involved in the formation of the hydrogen bond and the X-Hal bond involved in the formation of the halogen bond are all elongated when encapsulating the hydrogen bond and halogen bond within the carbon nanotube, so the carbon nanotube confinement may change the blue-shifting hydrogen bond and the blue-shifting halogen bond into the red-shifting hydrogen bond and the red-shifting halogen bond. The possibility to replace the all electron nanotube-confined calculation by the simple polarizable continuum model is also evaluated.

  15. The American flag on the VAB is being repainted

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Painters are suspended on platforms from the top of the 525-foot- high Vehicle Assembly Building (VAB) at KSC during repainting of the American flag. The flag spans an area 209 feet by 110 feet and will require 510 gallons of red, white and blue paint. Each stripe of the flag is 9 feet wide and each star is 6 feet in diameter. The platforms are operated by two electric motors and travel 35 feet per minute. Work is being done with rollers, with brushes being used for details. The paint was donated by ICI Devoe of Louisville, Ky. In addition to the flag, the Bicentennial Emblem on the other side of the VAB doors is being replaced by the NASA logo, honoring NASA's 40th anniversary (in October). The logo covers an area 110 feet by 132 feet. Work is expected to be completed in mid-September.

  16. Enzymatic Halogenation and Dehalogenation Reactions: Pervasive and Mechanistically Diverse.

    PubMed

    Agarwal, Vinayak; Miles, Zachary D; Winter, Jaclyn M; Eustáquio, Alessandra S; El Gamal, Abrahim A; Moore, Bradley S

    2017-04-26

    Naturally produced halogenated compounds are ubiquitous across all domains of life where they perform a multitude of biological functions and adopt a diversity of chemical structures. Accordingly, a diverse collection of enzyme catalysts to install and remove halogens from organic scaffolds has evolved in nature. Accounting for the different chemical properties of the four halogen atoms (fluorine, chlorine, bromine, and iodine) and the diversity and chemical reactivity of their organic substrates, enzymes performing biosynthetic and degradative halogenation chemistry utilize numerous mechanistic strategies involving oxidation, reduction, and substitution. Biosynthetic halogenation reactions range from simple aromatic substitutions to stereoselective C-H functionalizations on remote carbon centers and can initiate the formation of simple to complex ring structures. Dehalogenating enzymes, on the other hand, are best known for removing halogen atoms from man-made organohalogens, yet also function naturally, albeit rarely, in metabolic pathways. This review details the scope and mechanism of nature's halogenation and dehalogenation enzymatic strategies, highlights gaps in our understanding, and posits where new advances in the field might arise in the near future.

  17. Halogens in chondritic meteorites and terrestrial accretion

    NASA Astrophysics Data System (ADS)

    Clay, Patricia L.; Burgess, Ray; Busemann, Henner; Ruzié-Hamilton, Lorraine; Joachim, Bastian; Day, James M. D.; Ballentine, Christopher J.

    2017-11-01

    Volatile element delivery and retention played a fundamental part in Earth’s formation and subsequent chemical differentiation. The heavy halogens—chlorine (Cl), bromine (Br) and iodine (I)—are key tracers of accretionary processes owing to their high volatility and incompatibility, but have low abundances in most geological and planetary materials. However, noble gas proxy isotopes produced during neutron irradiation provide a high-sensitivity tool for the determination of heavy halogen abundances. Using such isotopes, here we show that Cl, Br and I abundances in carbonaceous, enstatite, Rumuruti and primitive ordinary chondrites are about 6 times, 9 times and 15-37 times lower, respectively, than previously reported and usually accepted estimates. This is independent of the oxidation state or petrological type of the chondrites. The ratios Br/Cl and I/Cl in all studied chondrites show a limited range, indistinguishable from bulk silicate Earth estimates. Our results demonstrate that the halogen depletion of bulk silicate Earth relative to primitive meteorites is consistent with the depletion of lithophile elements of similar volatility. These results for carbonaceous chondrites reveal that late accretion, constrained to a maximum of 0.5 ± 0.2 per cent of Earth’s silicate mass, cannot solely account for present-day terrestrial halogen inventories. It is estimated that 80-90 per cent of heavy halogens are concentrated in Earth’s surface reservoirs and have not undergone the extreme early loss observed in atmosphere-forming elements. Therefore, in addition to late-stage terrestrial accretion of halogens and mantle degassing, which has removed less than half of Earth’s dissolved mantle gases, the efficient extraction of halogen-rich fluids from the solid Earth during the earliest stages of terrestrial differentiation is also required to explain the presence of these heavy halogens at the surface. The hydropilic nature of halogens, whereby they track

  18. Legacy and alternative halogenated flame retardants in human milk in Europe: Implications for children's health.

    PubMed

    Čechová, Eliška; Vojta, Šimon; Kukučka, Petr; Kočan, Anton; Trnovec, Tomáš; Murínová, Ľubica Palkovičová; de Cock, Marijke; van de Bor, Margot; Askevold, Joakim; Eggesbø, Merete; Scheringer, Martin

    2017-11-01

    In this study, 10 polybrominated diphenyl ethers (PBDEs) and 19 alternative halogenated flame retardants (AFRs) were determined in >450 human milk samples across three European countries, representing northern, western and eastern Europe. This study provides first insights into the occurrence of selected AFRs in mother milk samples and compares them among three European countries. Sums of median concentrations of the most frequently detected PBDEs were 2.16, 0.88 and 0.45ngg -1 lipid weight (lw) in Norway, the Netherlands and Slovakia, respectively. The sum of the concentrations of AFRs ranged from 0.14 to 0.25ngg -1 lw in all countries, which was 2 to 15 times less compared to Σ 7 PBDEs. The Penta-BDE replacement, bis(2-ethylhexyl) tetrabromophthalate, BEH-TEBP, was present at the greatest concentrations of any of the AFRs and in some samples exceeded concentrations of BDE 47 and BDE 153. Four AFRs including bromobenzenes (hexabromobenzene, pentabromobenzene, pentabromotoluene) and another Penta-BDE replacement (2-ethylhexyl-2,3,4,5-tetrabromobenzoate, EH-TBB) were detected in >42% of all human milk samples. Because of the potential developmental neurotoxicity of the halogenated flame retardants, infant dietary intakes via breastfeeding were estimated; in four cases the intakes of BDE 47 exceeded the reference dose indicating that the present concentrations may pose a risk for children. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Process for removal of hydrogen halides or halogens from incinerator gas

    DOEpatents

    Huang, Hann S.; Sather, Norman F.

    1988-01-01

    A process for reducing the amount of halogens and halogen acids in high temperature combustion gases and through their removal, the formation of halogenated organics at lower temperatures, with the reduction being carried out electrochemically by contacting the combustion gas with the negative electrode of an electrochemical cell and with the halogen and/or halogen acid being recovered at the positive electrode.

  20. Process for removal of hydrogen halides or halogens from incinerator gas

    DOEpatents

    Huang, H.S.; Sather, N.F.

    1987-08-21

    A process for reducing the amount of halogens and halogen acids in high temperature combustion gas and through their removal, the formation of halogenated organics at lower temperatures, with the reduction being carried out electrochemically by contacting the combustion gas with the negative electrode of an electrochemical cell and with the halogen and/or halogen acid being recovered at the positive electrode.

  1. 36 CFR 504.9 - Placards, signs, banners and flags.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Placards, signs, banners and flags. 504.9 Section 504.9 Parks, Forests, and Public Property SMITHSONIAN INSTITUTION RULES AND REGULATIONS GOVERNING SMITHSONIAN INSTITUTION BUILDINGS AND GROUNDS § 504.9 Placards, signs, banners and flags...

  2. Rolling Band Artifact Flagging in the Kepler Data Pipeline

    NASA Astrophysics Data System (ADS)

    Clarke, Bruce; Kolodziejczak, Jeffery J; Caldwell, Douglas A.

    2014-06-01

    Instrument-induced artifacts in the raw Kepler pixel data include time-varying crosstalk from the fine guidance sensor (FGS) clock signals, manifestations of drifting moiré pattern as locally correlated nonstationary noise and rolling bands in the images. These systematics find their way into the calibrated pixel time series and ultimately into the target flux time series. The Kepler pipeline module Dynablack models the FGS crosstalk artifacts using a combination of raw science pixel data, full frame images, reverse-clocked pixel data and ancillary temperature data. The calibration module (CAL) uses the fitted Dynablack models to remove FGS crosstalk artifacts in the calibrated pixels by adjusting the black level correction per cadence. Dynablack also detects and flags spatial regions and time intervals of strong time-varying black-level. These rolling band artifact (RBA) flags are produced on a per row per cadence basis by searching for transit signatures in the Dynablack fit residuals. The Photometric Analysis module (PA) generates per target per cadence data quality flags based on the Dynablack RBA flags. Proposed future work includes using the target data quality flags as a basis for de-weighting in the Presearch Data Conditioning (PDC), Transiting Planet Search (TPS) and Data Validation (DV) pipeline modules. We discuss the effectiveness of RBA flagging for downstream users and illustrate with some affected light curves. We also discuss the implementation of Dynablack in the Kepler data pipeline and present results regarding the improvement in calibrated pixels and the expected improvement in cotrending performance as a result of including FGS corrections in the calibration. Funding for the Kepler Mission has been provided by the NASA Science Mission Directorate.

  3. 36 CFR 520.10 - Placards, signs, banners, and flags.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false Placards, signs, banners, and flags. 520.10 Section 520.10 Parks, Forests, and Public Property SMITHSONIAN INSTITUTION RULES AND... § 520.10 Placards, signs, banners, and flags. The displaying or carrying of placards, signs, banners, or...

  4. The Ultimate Flag Games.

    ERIC Educational Resources Information Center

    Angel, Kenny; Sutton, Nancy

    This paper describes six Ultimate Flag Games which offer a change from traditional games and sports that are usually geared toward athletically inclined students. These new games, aimed at middle school through college students, allow for success from the least-skilled through the most athletically talented students. Players are ability grouped…

  5. Fraction Flags: Learning from Children to Help Children Learn.

    ERIC Educational Resources Information Center

    Kieren, Tom; And Others

    1996-01-01

    Describes "fraction flags", an activity through which fraction concepts can be explored. The activity was invented by 2 12-year-old students and this article is presented with emphasis on the students' viewpoint. It begins with an overview of the fractions unit and presents vignettes of students exploring the fraction flags. (AIM)

  6. APOLLO 17 - FLAG DEDICATION - JSC

    NASA Image and Video Library

    1974-01-15

    S74-15520 --- Left to right Gene Kranz, Gene Cernan, Karla Garnuch, Harrison Schmitt, George Abbey, and Sigurd A. Sjoberg watching the dedication of the Apollo 17 flag to the Mission Control Center. Photo credit: NASA

  7. Method and apparatus for low temperature destruction of halogenated hydrocarbons

    DOEpatents

    Reagen, William Kevin; Janikowski, Stuart Kevin

    1999-01-01

    A method and apparatus for decomposing halogenated hydrocarbons are provided. The halogenated hydrocarbon is mixed with solvating agents and maintained in a predetermined atmosphere and at a predetermined temperature. The mixture is contacted with recyclable reactive material for chemically reacting with the recyclable material to create dehalogenated hydrocarbons and halogenated inorganic compounds. A feature of the invention is that the process enables low temperature destruction of halogenated hydrocarbons.

  8. Halogen Chemistry at North American Coastal Sites

    NASA Astrophysics Data System (ADS)

    Stutz, J.; Pikelnaya, O.; Laskin, A.; Sumner, A.; Jobson, B. T.; Finley, B.; Lawler, M.; Saltzman, E. S.; Pszenny, A. A.; Deegan, B.

    2007-12-01

    In recent years observational evidence has emerged that reactive halogen species (RHS), such as chlorine atoms, and bromine and iodine oxides, are present in coastal areas. Their chemistry can be significant as they catalytically destroy O3; oxidize hydrocarbons, dimethylsulfide, and S(IV); and modify NOx and HOx cycling. Despite their potential importance our observational database on RHS is still very limited. Most observations of RHS thus far have been made in clean areas and very few observations along the North American coast have been made. Here we will review our current understanding of RHS chemistry in both clean and polluted environments. Recent observations at coastal areas around the world will be discussed. We will also give an overview of an experiment performed by our group in Malibu, CA in October 2006 and present initial results. A suite of trace gases and environmental parameters, including halogen molecules, halogen oxides, Cl + VOC reaction products, aerosol composition, O3, NOx, CO, VOCs, meteorology, and radiation, were measured during a three week period. In addition, Cl + VOC reaction products were measured at two locations in urban Los Angeles. Clear evidence for the presence of various halogen species on the California coast was found. Observations during periods with relatively clean marine air and during times where our site was in the outflow of Los Angeles show the impact of pollution on coastal atmospheric chemistry. Our observations will be compared to earlier studies of halogen chemistry at coastal areas to further advance our understanding of halogen chemistry.

  9. 78 FR 17931 - Information Collection; Open Government Citizen Engagement Ratings, Rankings, and Flagging

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-25

    ...] Information Collection; Open Government Citizen Engagement Ratings, Rankings, and Flagging AGENCY: Office of... regarding open government citizen engagement ratings, rankings, and flagging. DATES: Comments must be...- 0288, Open Government Citizen Engagement Ratings, Rankings, and Flagging, by any of the following...

  10. A new class of halogen bonds that avoids the σ-hole

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Ma, Ning; Wang, Weizhou

    2012-04-01

    A new class of halogen bonds of the type X = Hal⋯Y has been investigated by using the density functional theory calculations. The strength of this new class of halogen bonds is in the range of 90-120 kcal/mol, which is greatly larger than that of the conventional halogen bond of the type X-Hal⋯Y. The geometry of this new class of halogen bonds is not determined by the halogen's positive σ-hole. Natural bond orbital analysis shows it is the n → π∗ interaction that determines the geometry of this new class of halogen bonds. Experimental results are in good agreement with the theoretical predictions.

  11. 77 FR 20098 - Inventory of U.S.-Flag Launch Barges

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-03

    ... DEPARTMENT OF TRANSPORTATION Maritime Administration [Docket No. MARAD-2012 0034] Inventory of U.S.-Flag Launch Barges AGENCY: Maritime Administration, Department of Transportation. ACTION: Inventory of U.S.-Flag Launch Barges. SUMMARY: The Maritime Administration is updating its inventory of U.S...

  12. 75 FR 13645 - Inventory of U.S.-Flag Launch Barges

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-03-22

    ... DEPARTMENT OF TRANSPORTATION Maritime Administration [Docket No. MARAD-2010 0023] Inventory of U.S.-Flag Launch Barges AGENCY: Maritime Administration, Department of Transportation. ACTION: Inventory of U.S.-Flag Launch Barges. SUMMARY: The Maritime Administration is updating its inventory of U.S...

  13. Halogen-Mediated Conversion of Hydrocarbons to Commodities.

    PubMed

    Lin, Ronghe; Amrute, Amol P; Pérez-Ramírez, Javier

    2017-03-08

    Halogen chemistry plays a central role in the industrial manufacture of various important chemicals, pharmaceuticals, and polymers. It involves the reaction of halogens or halides with hydrocarbons, leading to intermediate compounds which are readily converted to valuable commodities. These transformations, predominantly mediated by heterogeneous catalysts, have long been successfully applied in the production of polymers. Recent discoveries of abundant conventional and unconventional natural gas reserves have revitalized strong interest in these processes as the most cost-effective gas-to-liquid technologies. This review provides an in-depth analysis of the fundamental understanding and applied relevance of halogen chemistry in polymer industries (polyvinyl chloride, polyurethanes, and polycarbonates) and in the activation of light hydrocarbons. The reactions of particular interest include halogenation and oxyhalogenation of alkanes and alkenes, dehydrogenation of alkanes, conversion of alkyl halides, and oxidation of hydrogen halides, with emphasis on the catalyst, reactor, and process design. Perspectives on the challenges and directions for future development in this exciting field are provided.

  14. Treatment of halogen-containing waste and other waste materials

    DOEpatents

    Forsberg, Charles W.; Beahm, Edward C.; Parker, George W.

    1997-01-01

    A process for treating a halogen-containing waste material. The process provides a bath of molten glass containing a sacrificial metal oxide capable of reacting with a halogen in the waste material. The sacrificial metal oxide is present in the molten glass in at least a stoichiometric amount with respect to the halogen in the waste material. The waste material is introduced into the bath of molten glass to cause a reaction between the halogen in the waste material and the sacrificial metal oxide to yield a metal halide. The metal halide is a gas at the temperature of the molten glass. The gaseous metal halide is separated from the molten glass and contacted with an aqueous scrubber solution of an alkali metal hydroxide to yield a metal hydroxide or metal oxide-containing precipitate and a soluble alkali metal halide. The precipitate is then separated from the aqueous scrubber solution. The molten glass containing the treated waste material is removed from the bath as a waste glass. The process of the invention can be used to treat all types of waste material including radioactive wastes. The process is particularly suited for separating halogens from halogen-containing wastes.

  15. 3 CFR 8993 - Proclamation 8993 of June 7, 2013. Flag Day and National Flag Week, 2013

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... States to display the flag during that week. NOW, THEREFORE, I, BARACK OBAMA, President of the United... of the Independence of the United States of America the two hundred and thirty-seventh.BARACK OBAMA ...

  16. Utilising flags to reduce drag around a short finite circular cylinder

    NASA Astrophysics Data System (ADS)

    Javadi, Kh.; Kiani, F.; Tahaye Abadi, M.

    2018-03-01

    This paper utilises flags to decrease the drag around a short finite circular cylinder. Wall-adapted large eddy simulation and two-way fluid-structure interaction methods were applied to resolve unsteady turbulent flow structure. The far-field Reynolds number of the current configuration based on the cylinder diameter was chosen to be 20,000. In addition, the length-to-diameter ratio of the cylinder was assumed to be L/D = 2 whereas the flexible flag had a width-to-diameter ratio of W/D = 1.5. The results were compared with the regular short finite circular cylinder and the rigid flagged cylinder in our previous work. The results indicate that utilising flags inside the near-wake region of the cylinder reduces the pressure drag. The physical mechanism of this drag reduction is presented.

  17. Exposure to the American flag polarizes democratic-republican ideologies.

    PubMed

    Chan, Eugene Y

    2017-12-01

    Some prior research has suggested that exposure to the American flag tilts Americans towards Republicanism, while others have proffered that it brings outs a common 'together' perspective instead. We explore a third possibility - that it may actually polarize Americans' political ideology. It is generally accepted that exposure to an environmental cue can shift attitudes and behaviours, at least partly or temporarily, in a manner that is consistent with that cue. Yet, the same cue can mean different things to different people. In the same vein, given how national identity and political ideology are intertwined in the United States, we hypothesize that the American flag should heighten different political beliefs depending on individuals' political ideology. To Democrats, being American is to support Democratic values, but to Republicans, being American is to support Republican values. The American flag thus should heighten Democrats of their Democratic identity, and it should heighten Republicans of their Republican one. The results of an experiment with 752 American respondents who were representative of the US population supported this polarizing effect of the American flag. The theoretical and policy implications of the findings are offered. © 2017 The British Psychological Society.

  18. Halogen-free boron based electrolyte solution for rechargeable magnesium batteries

    NASA Astrophysics Data System (ADS)

    Zhu, Jinjie; Guo, Yongsheng; Yang, Jun; Nuli, Yanna; Zhang, Fan; Wang, Jiulin; Hirano, Shin-ichi

    2014-02-01

    All halogen containing electrolytes for Mg battery are apt to corrode conventional metal current collectors. In this paper, a new type of halogen-free boron based electrolyte (Mg[Mes3BPh]2/THF) is designed and prepared. Electrochemical tests show that this electrolyte system possesses high ion conductivity (1.5 × 10-3 S cm-1) and good Mg deposition-dissolution reversibility. More importantly, the same electrochemical window (2.6 V vs. Mg RE) of the electrolyte on Pt and stainless steel electrodes indicates that halogen-free electrolyte indeed lessens the corrosion to conventional metal current collectors. The surface morphologies of stainless steel, aluminum and copper are further observed after their anodic potentiostatic polarization in 0.25 mol L-1 Mg[Mes3BPh]2/THF electrolyte solution for 2 days. A comparison with halogen containing electrolytes proves that the presence of halogen in electrolyte is the reason for corrosion. This work provides a stepping stone for developing new halogen-free electrolyte systems for rechargeable Mg batteries.

  19. Investigating Planetary Volatile Accretion Mechanisms Using the Halogens

    NASA Astrophysics Data System (ADS)

    Ballentine, C. J.; Clay, P. L.; Burgess, R.; Busemann, H.; Ruzié, L.; Joachim, B.; Day, J. M.

    2014-12-01

    Depletion of the volatile elements in the Earth relative to the CI chondrites is roughly correlated with volatility, or decreasing condensation temperature. For the heavy halogen group elements (Cl, Br and I), volatility alone does not account for their apparent depletion, which early data has suggested is far greater than predicted [1-2]. Such depletion has been used to argue for the preferential loss of halogens by, amongst other processes, impact-driven erosive loss from Earth's surface [2]. Little consensus exists as to why the halogens should exhibit such preferential behavior during accretionary processes. Early efforts to constrain halogen abundance and understand their behavior in both Earth and planetary materials [3-6] have been hampered by their typically low abundance (ppb level) in most geologic materials. We present the results of halogen analysis of 23 chondrite samples, selected to represent diverse groups and petrologic type. Halogen abundances were measured by neutron irradiation noble gas mass spectrometry (NI-NGMS). Significant concentration heterogeneity is observed within some samples. However, a single Br/Cl and I/Cl ratio of 1.9 ± 0.2 (x 10-3) and 335 ± 10 (x 10-6) can be defined for carbonaceous chondrites with a good correlation between Br and Cl (R2 = 0.97) and between I and Cl (R2 = 0.84). Ratios of I/Cl overlap with terrestrial estimates of Bulk Silicate Earth and Mid Ocean Ridge Basalts. Similarly, good correlations are derived for enstatite (E) chondrites and a sulfide- and halogen- rich subset of E-chondrites. Chlorine abundances of CI (Orgueil) in this study are lower by factor of ~ 3 than the value of ~ 700 ppm Cl (compilation in [1]). Our results are similar to early discarded low values for Ivuna and Orgueil from [5,6] and agree more closely with values for CM chondrites. Halogens may not be as depleted in Earth as previously suggested, or a high degree of heterogeneity in the abundance of these volatile elements in

  20. Association between community socioeconomic characteristics and access to youth flag football.

    PubMed

    Kroshus, Emily; Sonnen, Aly J; Chrisman, Sara Pd; Rivara, Frederick P

    2018-01-12

    The American Academy of Pediatrics has recommended that opportunities for non-tackling American football (e.g., flag football) be expanded, given concerns about the risks of brain trauma from tackle football. This study tested the hypothesis that flag football would be more accessible in communities characterised by higher socioeconomic status residents. In July 2017, the locations of community-based organisations offering youth flag and tackle football for youth between the ages of 6 and 13 in two US states (Georgia and Washington) were aggregated (n=440). Organisations were coded in terms of the availability of tackle and/or flag football teams for youth at each year of age between 6 and 13. Multivariate logistic regression analyses were used to assess the odds of a community-based football organisation offering flag football, by community socioeconomic and demographic characteristics. In both states, communities with more educated residents were more likely to offer flag football for youth aged 6-12. For example, among 6 year-olds every 10% increase in the number of adult residents with a college education was associated with 1.51 times the odds of flag football availability (95% CI 1.22 to 1.86, P<0.001). These results suggest that youth living in communities characterised by low educational attainment are less likely than other youth to have the option of a lower contact alternative to tackle football. Relying on voluntary community-level adoption of lower contact alternatives to tackle football may result in inequitable access to such sport options. This may contribute to an inequitable burden of brain trauma from youth sport. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  1. Guidelines for the specification of blue safety flags in railroad operations

    DOT National Transportation Integrated Search

    2010-12-01

    Blue flag protection in the railroad industry provides safety to workers from the inadvertent movement of equipment on which they : are working. Current Federal regulations provide minimum specifications for the devices that can be used as blue flags...

  2. 14 CFR 121.621 - Alternate airport for destination: Flag operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 3 2013-01-01 2013-01-01 false Alternate airport for destination: Flag... § 121.621 Alternate airport for destination: Flag operations. (a) No person may dispatch an airplane under IFR or over-the-top unless he lists at least one alternate airport for each destination airport in...

  3. 14 CFR 121.621 - Alternate airport for destination: Flag operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Alternate airport for destination: Flag... § 121.621 Alternate airport for destination: Flag operations. (a) No person may dispatch an airplane under IFR or over-the-top unless he lists at least one alternate airport for each destination airport in...

  4. 14 CFR 121.621 - Alternate airport for destination: Flag operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 3 2012-01-01 2012-01-01 false Alternate airport for destination: Flag... § 121.621 Alternate airport for destination: Flag operations. (a) No person may dispatch an airplane under IFR or over-the-top unless he lists at least one alternate airport for each destination airport in...

  5. 14 CFR 121.621 - Alternate airport for destination: Flag operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Alternate airport for destination: Flag... § 121.621 Alternate airport for destination: Flag operations. (a) No person may dispatch an airplane under IFR or over-the-top unless he lists at least one alternate airport for each destination airport in...

  6. 14 CFR 121.621 - Alternate airport for destination: Flag operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 3 2014-01-01 2014-01-01 false Alternate airport for destination: Flag... § 121.621 Alternate airport for destination: Flag operations. (a) No person may dispatch an airplane under IFR or over-the-top unless he lists at least one alternate airport for each destination airport in...

  7. Crew Photo in front of flag

    NASA Image and Video Library

    2010-07-04

    ISS024-E-007376 (3 July 2010) --- NASA astronauts Shannon Walker and Doug Wheelock, both Expedition 24 flight engineers, pose for a photo with an American flag while aboard the International Space Station.

  8. Treatment of halogen-containing waste and other waste materials

    DOEpatents

    Forsberg, C.W.; Beahm, E.C.; Parker, G.W.

    1997-03-18

    A process is described for treating a halogen-containing waste material. The process provides a bath of molten glass containing a sacrificial metal oxide capable of reacting with a halogen in the waste material. The sacrificial metal oxide is present in the molten glass in at least a stoichiometric amount with respect to the halogen in the waste material. The waste material is introduced into the bath of molten glass to cause a reaction between the halogen in the waste material and the sacrificial metal oxide to yield a metal halide. The metal halide is a gas at the temperature of the molten glass. The gaseous metal halide is separated from the molten glass and contacted with an aqueous scrubber solution of an alkali metal hydroxide to yield a metal hydroxide or metal oxide-containing precipitate and a soluble alkali metal halide. The precipitate is then separated from the aqueous scrubber solution. The molten glass containing the treated waste material is removed from the bath as a waste glass. The process of the invention can be used to treat all types of waste material including radioactive wastes. The process is particularly suited for separating halogens from halogen-containing wastes. 3 figs.

  9. 22 CFR 201.15 - U.S. flag vessel shipping requirements.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... and tankers shall be achieved for each quantitative unit of cargo. A quantitative unit of cargo is the... determined that at least 50% of the quantitative unit will move on U.S. flag vessels, to the extent that such... used for achieving compliance for the quantitative unit. (c) Nonavailability of U.S. flag vessels. Upon...

  10. 22 CFR 201.15 - U.S. flag vessel shipping requirements.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... and tankers shall be achieved for each quantitative unit of cargo. A quantitative unit of cargo is the... determined that at least 50% of the quantitative unit will move on U.S. flag vessels, to the extent that such... used for achieving compliance for the quantitative unit. (c) Nonavailability of U.S. flag vessels. Upon...

  11. 22 CFR 201.15 - U.S. flag vessel shipping requirements.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... and tankers shall be achieved for each quantitative unit of cargo. A quantitative unit of cargo is the... determined that at least 50% of the quantitative unit will move on U.S. flag vessels, to the extent that such... used for achieving compliance for the quantitative unit. (c) Nonavailability of U.S. flag vessels. Upon...

  12. 22 CFR 201.15 - U.S. flag vessel shipping requirements.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... and tankers shall be achieved for each quantitative unit of cargo. A quantitative unit of cargo is the... determined that at least 50% of the quantitative unit will move on U.S. flag vessels, to the extent that such... used for achieving compliance for the quantitative unit. (c) Nonavailability of U.S. flag vessels. Upon...

  13. 22 CFR 201.15 - U.S. flag vessel shipping requirements.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... and tankers shall be achieved for each quantitative unit of cargo. A quantitative unit of cargo is the... determined that at least 50% of the quantitative unit will move on U.S. flag vessels, to the extent that such... used for achieving compliance for the quantitative unit. (c) Nonavailability of U.S. flag vessels. Upon...

  14. Method for halogenating or radiohalogenating a chemical compound

    DOEpatents

    Kabalka, George W.

    2006-05-09

    A method for obtaining a halogenated organic compound, whereby an organotrifluoroborate compound is reacted with a halide ion in the presence of an oxidizing agent to produce the corresponding halogenated organic compound. The method may be used for producing radiohalogenated organic compounds.

  15. 76 FR 39885 - Risk-Based Targeting of Foreign Flagged Mobile Offshore Drilling Units (MODUs)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-07

    ... Foreign Flagged Mobile Offshore Drilling Units (MODUs) AGENCY: Coast Guard, DHS. ACTION: Notice of... 11-06, Risk-Based Targeting of Foreign Flagged Mobile Offshore Drilling Units (MODUs). This policy... applicable regulations, every foreign-flagged mobile offshore drilling unit (MODU) must undergo a Coast Guard...

  16. The Halogen Bond in the Design of Functional Supramolecular Materials: Recent Advances

    PubMed Central

    2013-01-01

    Halogen bonding is an emerging noncovalent interaction for constructing supramolecular assemblies. Though similar to the more familiar hydrogen bonding, four primary differences between these two interactions make halogen bonding a unique tool for molecular recognition and the design of functional materials. First, halogen bonds tend to be much more directional than (single) hydrogen bonds. Second, the interaction strength scales with the polarizability of the bond-donor atom, a feature that researchers can tune through single-atom mutation. In addition, halogen bonds are hydrophobic whereas hydrogen bonds are hydrophilic. Lastly, the size of the bond-donor atom (halogen) is significantly larger than hydrogen. As a result, halogen bonding provides supramolecular chemists with design tools that cannot be easily met with other types of noncovalent interactions and opens up unprecedented possibilities in the design of smart functional materials. This Account highlights the recent advances in the design of halogen-bond-based functional materials. Each of the unique features of halogen bonding, directionality, tunable interaction strength, hydrophobicity, and large donor atom size, makes a difference. Taking advantage of the hydrophobicity, researchers have designed small-size ion transporters. The large halogen atom size provided a platform for constructing all-organic light-emitting crystals that efficiently generate triplet electrons and have a high phosphorescence quantum yield. The tunable interaction strengths provide tools for understanding light-induced macroscopic motions in photoresponsive azobenzene-containing polymers, and the directionality renders halogen bonding useful in the design on functional supramolecular liquid crystals and gel-phase materials. Although halogen bond based functional materials design is still in its infancy, we foresee a bright future for this field. We expect that materials designed based on halogen bonding could lead to

  17. Scientific conferences: A big hello to halogen bonding

    NASA Astrophysics Data System (ADS)

    Erdelyi, Mate

    2014-09-01

    Halogen bonding connects a wide range of subjects -- from materials science to structural biology, from computation to crystal engineering, and from synthesis to spectroscopy. The 1st International Symposium on Halogen Bonding explored the state of the art in this fast-growing field of research.

  18. Freestanding Flag-Type Triboelectric Nanogenerator for Harvesting High-Altitude Wind Energy from Arbitrary Directions.

    PubMed

    Zhao, Zhenfu; Pu, Xiong; Du, Chunhua; Li, Linxuan; Jiang, Chunyan; Hu, Weiguo; Wang, Zhong Lin

    2016-02-23

    Wind energy at a high altitude is far more stable and stronger than that near the ground, but it is out of reach of the wind turbine. Herein, we develop an innovative freestanding woven triboelectric nanogenerator flag (WTENG-flag) that can harvest high-altitude wind energy from arbitrary directions. The wind-driven fluttering of the woven unit leads to the current generation by a coupled effect of contact electrification and electrostatic induction. Systematic study is conducted to optimize the structure/material parameters of the WTENG-flag to improve the power output. This 2D WTENG-flag can also be stacked in parallel connections in many layers for a linearly increased output. Finally, a self-powered high-altitude platform with temperature/humidity sensing/telecommunicating capability is demonstrated with the WTENG-flag as a power source. Due to the light weight, low cost, and easy scale-up, this WTENG-flag has great potential for applications in weather/environmental sensing/monitoring systems.

  19. The Important Role of Halogen Bond in Substrate Selectivity of Enzymatic Catalysis

    NASA Astrophysics Data System (ADS)

    Jiang, Shuiqin; Zhang, Lujia; Cui, Dongbin; Yao, Zhiqiang; Gao, Bei; Lin, Jinping; Wei, Dongzhi

    2016-10-01

    The use of halogen bond is widespread in drug discovery, design, and clinical trials, but is overlooked in drug biosynthesis. Here, the role of halogen bond in the nitrilase-catalyzed synthesis of ortho-, meta-, and para-chlorophenylacetic acid was investigated. Different distributions of halogen bond induced changes of substrate binding conformation and affected substrate selectivity. By engineering the halogen interaction, the substrate selectivity of the enzyme changed, with the implication that halogen bond plays an important role in biosynthesis and should be used as an efficient and reliable tool in enzymatic drug synthesis.

  20. Tropospheric impacts of volcanic halogen emissions: first simulations of reactive halogen chemistry in the Eyjafjallajökull eruption plume

    NASA Astrophysics Data System (ADS)

    Roberts, Tjarda

    2013-04-01

    Volcanic plumes are regions of high chemical reactivity. Instrumented research aircraft that probed the 2010 Icelandic Eyjafjallajökull eruption plume identified in-plume ozone depletion and reactive halogens (Cl, BrO), the latter also detected by satellite. These measurements add to growing evidence that volcanic plumes support rapid reactive halogen chemistry, with predicted impacts including depletion of atmospheric oxidants and mercury deposition. However, attempts to simulate volcanic plume halogen chemistry and predict impacts are subject to considerable uncertainties. e.g. in rate constants for HOBr reactive uptake (see this session: EGU2013-6076), or in the high-temperature initialisation. Model studies attempting to replicate volcanic plume halogen chemistry are restricted by a paucity of field data that is required both for model tuning and verification, hence reported model 'solutions' are not necessarily unique. To this end, the aircraft, ground-based and satellite studies of the Eyjafjallajökull eruption provide a valuable combination of datasets for improving our understanding of plume chemistry and impacts. Here, PlumeChem simulations of Eyjafjallajökull plume reactive halogen chemistry and impacts are presented and verified by observations for the first time. Observed ozone loss, a function of plume strength and age, is quantitatively reproduced by the model. Magnitudinal agreement to reported downwind BrO and Cl is also shown. The model predicts multi-day impacts, with reactive bromine mainly as BrO, HOBr and BrONO2 during daytime, and Br2 and BrCl at night. BrO/SO2 is reduced in more dispersed plumes due to enhanced partitioning to HOBr, of potential interest to satellite studies of BrO downwind of volcanoes. Additional predicted impacts of Eyjafjallajökull volcanic plume halogen chemistry include BrO-mediated depletion of HOx that reduces the rate of SO2 oxidation to H2SO4, hence the formation of sulphate aerosol. The model predicts NOx is

  1. Halogen bonding based recognition processes: a world parallel to hydrogen bonding.

    PubMed

    Metrangolo, Pierangelo; Neukirch, Hannes; Pilati, Tullio; Resnati, Giuseppe

    2005-05-01

    Halogen bonding is the noncovalent interaction between halogen atoms (Lewis acids) and neutral or anionic Lewis bases. The main features of the interaction are given, and the close similarity with the hydrogen bonding will become apparent. Some heuristic principles are presented to develop a rational crystal engineering based on halogen bonding. The focus is on halogen-bonded supramolecular architectures given by halocarbons. The potential of the interaction is shown by useful applications in the field of synthetic chemistry, material science, and bioorganic chemistry.

  2. Degradation of halogenated aliphatic compounds by Xanthobacter autotrophicus GJ10.

    PubMed Central

    Janssen, D B; Scheper, A; Dijkhuizen, L; Witholt, B

    1985-01-01

    A bacterium that is able to utilize a number of halogenated short-chain hydrocarbons and halogenated carboxylic acids as sole carbon source for growth was identified as a strain of Xanthobacter autotrophicus. The organism constitutively produces two different dehalogenases. One enzyme is specific for halogenated alkanes, whereas the other, which is more heat stable and has a higher pH optimum, is specific for halogenated carboxylic acids. Haloalkanes were hydrolyzed in cell extracts to produce alcohols and halide ions, and a route for the metabolism of 1,2-dichlorethane is proposed. Both dehalogenases show a broad substrate specificity, allowing the degradation of bromine- and chlorine-substituted organic compounds. The results show that X. autotrophicus may play a role in the degradation of organochlorine compounds and that hydrolytic dehalogenases may be involved in the microbial metabolism of short-chain halogenated hydrocarbons in microorganisms. Images PMID:3994371

  3. Electroreduction of Halogenated Organic Compounds

    NASA Astrophysics Data System (ADS)

    Rondinini, Sandra; Vertova, Alberto

    The electroreductive cleavage of the carbon-halogen bond in halogenated organic compounds has been extensively studied for more than 70 years, since it is prodromal to a large variety of synthetic applications in organic electrochemistry. Over the years the research interest have progressively included the environmental applications, since several organic halocompounds are known to have (or have had) a serious environmental impact because of their (present or past) wide use as cleaning agents, herbicides, cryogenic fluids, reagents (e.g. allyl and vinyl monomers) for large production materials, etc. Recent studies have also demonstrated the wide spread out- and in-door-presence of volatile organic halides, although at low level, in connexion with residential and non-residential (e.g. stores, restaurants and transportation) activities. In this context, the detoxification of emissions to air, water and land by the selective removal of the halogen group represents a valid treatment route, which, although not leading to the complete mineralization of the pollutants, produces less harmful streams to be easily treated by electrochemical or conventional techniques. The electroreduction process is analysed and discussed in terms of electrode material, reaction medium, cell design and operation, and of substrate classification.

  4. Structures and electronic states of halogen-terminated graphene nano-flakes

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto; Iyama, Tetsuji

    2015-12-01

    Halogen-functionalized graphenes are utilized as electronic devices and energy materials. In the present paper, the effects of halogen-termination of graphene edge on the structures and electronic states of graphene flakes have been investigated by means of density functional theory (DFT) method. It was found that the ionization potential (Ip) and electron affinity of graphene (EA) are blue-shifted by the halogen termination, while the excitation energy is red-shifted. The drastic change showed a possibility as electronic devices such as field-effect transistors. The change of electronic states caused by the halogen termination of graphene edge was discussed on the basis of the theoretical results.

  5. The American flag on the VAB is being repainted

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Painters are suspended on platforms from the top of the 525-foot- high Vehicle Assembly Building (VAB) at KSC during repainting of the American flag and NASA logo. The flag spans an area 209 feet by 110 feet and will require 510 gallons of red, white and blue paint. Each stripe of the flag is 9 feet wide and each star is 6 feet in diameter. The previous Bicentennial Emblem on the other side of the VAB doors is being replaced by the NASA logo, honoring NASA's 40th anniversary (in October). The logo covers an area 110 feet by 132 feet. The painting platforms are operated by two electric motors and travel 35 feet per minute. Work is being done with rollers, with brushes being used for details. The paint was donated by ICI Devoe of Louisville, Ky. Work is expected to be completed in mid-September.

  6. 40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...

  7. 40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Alkali metal salt of halogenated... Specific Chemical Substances § 721.5452 Alkali metal salt of halogenated organoborate (generic). (a... generically as alkali metal salt of halogenated organoborate (PMN P-00-0638) is subject to reporting under...

  8. FlagHouse Forum: You Say "Tomato"... and I Use a Communicator

    ERIC Educational Resources Information Center

    Exceptional Parent, 2011

    2011-01-01

    This month's "FlagHouse Forum" focuses on how to choose the communicator best-suited to a child's special need. FlagHouse--a premier global supplier of resources for special needs, education, physical activity and recreation--is pleased to partner with "Exceptional Parent" to bring its readers this informational forum. Humans communicate with each…

  9. Flag-based detection of weak gas signatures in long-wave infrared hyperspectral image sequences

    NASA Astrophysics Data System (ADS)

    Marrinan, Timothy; Beveridge, J. Ross; Draper, Bruce; Kirby, Michael; Peterson, Chris

    2016-05-01

    We present a flag manifold based method for detecting chemical plumes in long-wave infrared hyperspectral movies. The method encodes temporal and spatial information related to a hyperspectral pixel into a flag, or nested sequence of linear subspaces. The technique used to create the flags pushes information about the background clutter, ambient conditions, and potential chemical agents into the leading elements of the flags. Exploiting this temporal information allows for a detection algorithm that is sensitive to the presence of weak signals. This method is compared to existing techniques qualitatively on real data and quantitatively on synthetic data to show that the flag-based algorithm consistently performs better on data when the SINRdB is low, and beats the ACE and MF algorithms in probability of detection for low probabilities of false alarm even when the SINRdB is high.

  10. Anomalous Hydrodynamic Drafting of Interacting Flapping Flags

    NASA Astrophysics Data System (ADS)

    Ristroph, Leif; Zhang, Jun

    2008-11-01

    In aggregates of objects moving through a fluid, bodies downstream of a leader generally experience reduced drag force. This conventional drafting holds for objects of fixed shape, but interactions of deformable bodies in a flow are poorly understood, as in schools of fish. In our experiments on “schooling” flapping flags, we find that it is the leader of a group who enjoys a significant drag reduction (of up to 50%), while the downstream flag suffers a drag increase. This counterintuitive inverted drag relationship is rationalized by dissecting the mutual influence of shape and flow in determining drag. Inverted drafting has never been observed with rigid bodies, apparently due to the inability to deform in response to the altered flow field of neighbors.

  11. Metal halogen battery system with multiple outlet nozzle for hydrate

    DOEpatents

    Bjorkman, Jr., Harry K.

    1983-06-21

    A metal halogen battery system, including at least one cell having a positive electrode and a negative electrode contacted by aqueous electrolyte containing the material of said metal and halogen, store means whereby halogen hydrate is formed and stored as part of an aqueous material, means for circulating electrolyte through the cell and to the store means, and conduit means for transmitting halogen gas formed in the cell to a hydrate former whereby the hydrate is formed in association with the store means, said store means being constructed in the form of a container which includes a filter means, said filter means being inoperative to separate the hydrate formed from the electrolyte, said system having, a hydrate former pump means associated with the store means and being operative to intermix halogen gas with aqueous electrolyte to form halogen hydrate, said hydrate former means including, multiple outlet nozzle means connected with the outlet side of said pump means and being operative to minimize plugging, said nozzle means being comprised of at least one divider means which is generally perpendicular to the rotational axes of gears within the pump means, said divider means acting to divide the flow from the pump means into multiple outlet flow paths.

  12. Tracing groundwater with low-level detections of halogenated VOCs in a fractured carbonate-rock aquifer, Leetown Science Center, West Virginia, USA

    USGS Publications Warehouse

    Plummer, Niel; Sibrell, Philip L.; Casile, Gerolamo C.; Busenberg, Eurybiades; Hunt, Andrew G.; Schlosser, Peter

    2013-01-01

    Measurements of low-level concentrations of halogenated volatile organic compounds (VOCs) and estimates of groundwater age interpreted from 3H/3He and SF6 data have led to an improved understanding of groundwater flow, water sources, and transit times in a karstic, fractured, carbonate-rock aquifer at the Leetown Science Center (LSC), West Virginia. The sum of the concentrations of a set of 16 predominant halogenated VOCs (TDVOC) determined by gas chromatography with electron-capture detector (GC–ECD) exceeded that possible for air–water equilibrium in 34 of the 47 samples (median TDVOC of 24,800 pg kg−1), indicating that nearly all the water sampled in the vicinity of the LSC has been affected by addition of halogenated VOCs from non-atmospheric source(s). Leakage from a landfill that was closed and sealed nearly 20 a prior to sampling was recognized and traced to areas east of the LSC using low-level detection of tetrachloroethene (PCE), methyl chloride (MeCl), methyl chloroform (MC), dichlorodifluoromethane (CFC-12), and cis-1,2-dichloroethene (cis-1,2-DCE). Chloroform (CHLF) was the predominant VOC in water from domestic wells surrounding the LSC, and was elevated in groundwater in and near the Fish Health Laboratory at the LSC, where a leak of chlorinated water occurred prior to 2006. The low-level concentrations of halogenated VOCs did not exceed human or aquatic-life health criteria, and were useful in providing an awareness of the intrinsic susceptibility of the fractured karstic groundwater system at the LSC to non-atmospheric anthropogenic inputs. The 3H/3He groundwater ages of spring discharge from the carbonate rocks showed transient behavior, with ages averaging about 2 a in 2004 following a wet climatic period (2003–2004), and ages in the range of 4–7 a in periods of more average precipitation (2008–2009). The SF6 and CFC-12 data indicate older water (model ages of 10s of years or more) in the low-permeability shale of the Martinsburg

  13. Biodegradation of Trihalomethanes and Other Halogenated Aliphatic Compounds

    NASA Technical Reports Server (NTRS)

    Smith, G. B.

    1996-01-01

    The biological dehalogenation of common water pollutants such as trichloromethane (chloroform) and other halogenated aliphatic compounds was the subject of this project. Samples from diverse water environments such as from groundwater contaminated with halogenated compounds and wastewaters from regional treatment plants were studied to identify conditions that favor certain dehalogenation reactions over others. Gene probe analyses of DNA extracted from the dichlormethane-degrading wastewater indicated the presence of the gene coding for dichloromethane dehalogenase, indicating the genetic basis for the dechlorination activity observed. These studies indicate that methanogenic bacteria are the organisms responsible for the chloroform dechlorination. Dechlorination of a common chlorofluorocarbon (CFC-11) was identified in samples taken from a regional aquifer contaminated with halogenated aliphatic compounds.

  14. The unique role of halogen substituents in the design of modern agrochemicals.

    PubMed

    Jeschke, Peter

    2010-01-01

    The past 30 years have witnessed a period of significant expansion in the use of halogenated compounds in the field of agrochemical research and development. The introduction of halogens into active ingredients has become an important concept in the quest for a modern agrochemical with optimal efficacy, environmental safety, user friendliness and economic viability. Outstanding progress has been made, especially in synthetic methods for particular halogen-substituted key intermediates that were previously prohibitively expensive. Interestingly, there has been a rise in the number of commercial products containing 'mixed' halogens, e.g. one or more fluorine, chlorine, bromine or iodine atoms in addition to one or more further halogen atoms. Extrapolation of the current trend indicates that a definite growth is to be expected in fluorine-substituted agrochemicals throughout the twenty-first century. A number of these recently developed agrochemical candidates containing halogen substituents represent novel classes of chemical compounds with new modes of action. However, the complex structure-activity relationships associated with biologically active molecules mean that the introduction of halogens can lead to either an increase or a decrease in the efficacy of a compound, depending on its changed mode of action, physicochemical properties, target interaction or metabolic susceptibility and transformation. In spite of modern design concepts, it is still difficult to predict the sites in a molecule at which halogen substitution will result in optimal desired effects. This review describes comprehensively the successful utilisation of halogens and their unique role in the design of modern agrochemicals, exemplified by various commercial products from Bayer CropScience coming from different agrochemical areas.

  15. 3 CFR 8535 - Proclamation 8535 of June 11, 2010. Flag Day and National Flag Week, 2010

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ..., the thirteen stripes alternating red and white, and thirteen white stars in a blue field, represented... luminosity, and the enduring American story that it represents. Although the configuration of stars and... first embraced by our Founders, the Stars and Stripes remain the symbol of our Nation’s pride. On Flag...

  16. 3 CFR 8837 - Proclamation 8837 of June 11, 2012. Flag Day and National Flag Week, 2012

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... homes and storefronts. Generations of service members have raised our country's colors over military... America A Proclamation Ninety-six years ago, our Nation first came together to celebrate Flag Day—an occasion when President Woodrow Wilson asked us to “stand with united hearts for an America which no man...

  17. Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds.

    PubMed

    Jelsch, Christian; Soudani, Sarra; Ben Nasr, Cherif

    2015-05-01

    The likelihood of occurrence of intermolecular contacts in crystals of halogenated organic compounds has been analysed statistically using tools based on the Hirshfeld surface. Several families of small halogenated molecules (containing organic F, Cl, Br or I atoms) were analysed, based on chemical composition and aromatic or aliphatic character. The behaviour of crystal contacts was also probed for molecules containing O or N. So-called halogen bonding (a halogen making short interactions with O or N, or a π interaction with C) is generally disfavoured, except when H is scarce on the molecular surface. Similarly, halogen⋯halogen contacts are more rare than expected, except for molecules that are poor in H. In general, the H atom is found to be the preferred partner of organic halogen atoms in crystal structures. On the other hand, C⋯C interactions in parallel π-stacking have a high propensity to occur in halogenated aromatic molecules. The behaviour of the four different halogen species (F, Cl, Br, I) is compared in several chemical composition contexts. The analysis tool can be refined by distinguishing several types for a given chemical species, such as H atoms bound to O or C. Such distinction shows, for instance, that C-H⋯Cl and O-H⋯O are the preferred interactions in compounds containing both O and Cl.

  18. Heritage or Hate? A Pedagogical Guide to the Confederate Flag in Post-Race America

    ERIC Educational Resources Information Center

    Lippard, Cameron D.

    2017-01-01

    The Confederate flag has been a hotly debated symbol of heritage or hate in the United States. In 2015, 54 per cent of Americans polled saw the flag as a symbol of 'Southern pride' whereas 34 per cent saw it as racist. However, 27 per cent of Whites compared to 69 per cent of Blacks saw the flag as racist. In this article, I suggest how…

  19. COOPER, HERON, AND HEWARD'S APPLIED BEHAVIOR ANALYSIS (2ND ED.): CHECKERED FLAG FOR STUDENTS AND PROFESSORS, YELLOW FLAG FOR THE FIELD

    PubMed Central

    Friman, Patrick C

    2010-01-01

    At last, the field of applied behavior analysis has a beautifully crafted, true textbook that can proudly stand cover to cover and spine to spine beside any of the expensive, imposing, and ornately designed textbooks used by college instructors who teach courses in conventional areas of education or psychology. In this review, I fully laud this development, credit Cooper, Heron, and Heward for making it happen, argue that it signifies a checkered flag for students and professors, and recommend the book for classes in applied behavior analysis everywhere. Subsequently, I review its chapters, each of which could easily stand alone as publications in their own right. Finally, I supply a cautionary note, a yellow flag to accompany the well-earned checkered flag, by pointing out that, as is true with all general textbooks on applied behavior analysis, a major portion of the references involves research on persons who occupy only a tail of the normal distribution. To attain the mainstream role Skinner envisioned and most (if not all) behavior analysts desire, the field will have to increase its focus on persons who reside under the dome of that distribution.

  20. Halogen Bonding: A Powerful Tool for Modulation of Peptide Conformation

    PubMed Central

    2017-01-01

    Halogen bonding is a weak chemical force that has so far mostly found applications in crystal engineering. Despite its potential for use in drug discovery, as a new molecular tool in the direction of molecular recognition events, it has rarely been assessed in biopolymers. Motivated by this fact, we have developed a peptide model system that permits the quantitative evaluation of weak forces in a biologically relevant proteinlike environment and have applied it for the assessment of a halogen bond formed between two amino acid side chains. The influence of a single weak force is measured by detection of the extent to which it modulates the conformation of a cooperatively folding system. We have optimized the amino acid sequence of the model peptide on analogues with a hydrogen bond-forming site as a model for the intramolecular halogen bond to be studied, demonstrating the ability of the technique to provide information about any type of weak secondary interaction. A combined solution nuclear magnetic resonance spectroscopic and computational investigation demonstrates that an interstrand halogen bond is capable of conformational stabilization of a β-hairpin foldamer comparable to an analogous hydrogen bond. This is the first report of incorporation of a conformation-stabilizing halogen bond into a peptide/protein system, and the first quantification of a chlorine-centered halogen bond in a biologically relevant system in solution. PMID:28581720

  1. Extending Halogen-based Medicinal Chemistry to Proteins

    PubMed Central

    El Hage, Krystel; Pandyarajan, Vijay; Phillips, Nelson B.; Smith, Brian J.; Menting, John G.; Whittaker, Jonathan; Lawrence, Michael C.; Meuwly, Markus; Weiss, Michael A.

    2016-01-01

    Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (TyrB26) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-TyrB26]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography. Using an electrostatic model of the modified aromatic ring based on quantum chemistry, the calculations suggested that the analog, as a dimer and hexamer, exhibits subtle differences in aromatic-aromatic interactions at the dimer interface. Aromatic rings (TyrB16, PheB24, PheB25, 3-I-TyrB26, and their symmetry-related mates) at this interface adjust to enable packing of the hydrophobic iodine atoms within the core of each monomer. Strikingly, these features were observed in the crystal structure of a 3-[iodo-TyrB26]insulin analog (determined as an R6 zinc hexamer). Given that residues B24–B30 detach from the core on receptor binding, the environment of 3-I-TyrB26 in a receptor complex must differ from that in the free hormone. Based on the recent structure of a “micro-receptor” complex, we predict that 3-I-TyrB26 engages the receptor via directional halogen bonding and halogen-directed hydrogen bonding as follows: favorable electrostatic interactions exploiting, respectively, the halogen's electron-deficient σ-hole and electronegative equatorial band. Inspired by quantum chemistry and molecular dynamics, such “halogen engineering” promises to extend principles of medicinal chemistry to proteins. PMID:27875310

  2. 46 CFR 154.22 - Foreign flag vessel: Certificate of Compliance endorsement application.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... requesting an endorsement for the carriage of ethylene oxide, a classification society certification that the... Commanding Officer, Marine Safety Center the plans, calculations, and information under § 154.15(b). [CGD 77... foreign flag vessel, whose flag administration issues IMO Certificates, must submit to the Commanding...

  3. Flagging versus dragging as sampling methods for nymphal Ixodes scapularis (Acari: Ixodidae)

    USGS Publications Warehouse

    Rulison, Eric L.; Kuczaj, Isis; Pang, Genevieve; Hickling, Graham J.; Tsao, Jean I.; Ginsberg, Howard S.

    2013-01-01

    The nymphal stage of the blacklegged tick, Ixodes scapularis (Acari: Ixodidae), is responsible for most transmission of Borrelia burgdorferi, the etiologic agent of Lyme disease, to humans in North America. From 2010 to fall of 2012, we compared two commonly used techniques, flagging and dragging, as sampling methods for nymphal I. scapularis at three sites, each with multiple sampling arrays (grids), in the eastern and central United States. Flagging and dragging collected comparable numbers of nymphs, with no consistent differences between methods. Dragging collected more nymphs than flagging in some samples, but these differences were not consistent among sites or sampling years. The ratio of nymphs collected by flagging vs dragging was not significantly related to shrub density, so habitat type did not have a strong effect on the relative efficacy of these methods. Therefore, although dragging collected more ticks in a few cases, the numbers collected by each method were so variable that neither technique had a clear advantage for sampling nymphal I. scapularis.

  4. Implementation of marine halogen chemistry into the Community Multiscale Air Quality (CMAQ) model

    NASA Astrophysics Data System (ADS)

    Gantt, B.; Sarwar, G.

    2017-12-01

    In two recent studies (Sarwar et al, 2015 and Gantt et al., 2017), the impact of marine halogen (bromine and iodine) chemistry on air quality has been evaluated using the Community Multiscale Air Quality (CMAQ) model. We found that marine halogen chemistry not only has the expected effect of reducing marine boundary layer ozone concentrations, but also reduces ozone in the free troposphere and inland from the coast. In Sarwar et al. (2015), the impact of the halogen chemistry without and with photochemical reactions of higher iodine oxides over the Northern Hemisphere was examined using the coarse horizontal grids of a hemispheric domain. Halogen chemistry without and with the photochemical reactions of higher iodine oxides reduces ozone over seawater by 15% and 48%, respectively. Using the results of the chemistry without the photochemical reactions of higher iodine oxides, we developed a simple first order ozone loss rate and implemented it into the public version of CMAQv52. In Gantt et al. (2017), the impact of the simple first order loss rate as well as the full halogen chemistry without photochemical reactions of higher iodine oxides over the continental United States was examined using finer horizontal grids of the regional domain and boundary conditions from the hemispheric domain with and without marine halogen chemistry. The boundary conditions obtained with the halogen chemistry as well as the simple halogen chemistry reduces ozone along the coast where CMAQ typically overpredicts the concentrations. Development of halogen chemistry in CMAQ has continued with the implementation of several heterogeneous reactions of bromine and iodine species, revised reactions of higher iodine oxides, and a refined marine halogen emissions inventory. Our latest version of halogen chemistry with photochemical reactions of higher iodine oxides reduces ozone by 23% over the seawater. This presentation will discuss the previous and ongoing implementation of revised halogen

  5. 40 CFR 721.275 - Halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Halogenated-N-(2-propenyl)-N... New Uses for Specific Chemical Substances § 721.275 Halogenated-N-(2-propenyl)-N-(substituted phenyl... identified generically as halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide (P-83-1085) is subject...

  6. 40 CFR 721.275 - Halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Halogenated-N-(2-propenyl)-N... New Uses for Specific Chemical Substances § 721.275 Halogenated-N-(2-propenyl)-N-(substituted phenyl... identified generically as halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide (P-83-1085) is subject...

  7. Halogens are key cofactors in building of collagen IV scaffolds outside the cell.

    PubMed

    Brown, Kyle L; Hudson, Billy G; Voziyan, Paul A

    2018-05-01

    The purpose of this review is to highlight recent advances in understanding the molecular assembly of basement membranes, as exemplified by the glomerular basement membrane (GBM) of the kidney filtration apparatus. In particular, an essential role of halogens in the basement membrane formation has been discovered. Extracellular chloride triggers a molecular switch within non collagenous domains of collagen IV that induces protomer oligomerization and scaffold assembly outside the cell. Moreover, bromide is an essential cofactor in enzymatic cross-linking that reinforces the stability of scaffolds. Halogenation and halogen-induced oxidation of the collagen IV scaffold in disease states damage scaffold function. Halogens play an essential role in the formation of collagen IV scaffolds of basement membranes. Pathogenic damage of these scaffolds by halogenation and halogen-induced oxidation is a potential target for therapeutic interventions.

  8. Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes.

    PubMed

    Fanfrlík, Jindřich; Holub, Josef; Růžičková, Zdeňka; Řezáč, Jan; Lane, Paul D; Wann, Derek A; Hnyk, Drahomír; Růžička, Aleš; Hobza, Pavel

    2016-11-04

    Halogen bonds are a subset of noncovalent interactions with rapidly expanding applications in materials and medicinal chemistry. While halogen bonding is well known in organic compounds, it is new in the field of boron cluster chemistry. We have synthesized and crystallized carboranes containing Br atoms in two different positions, namely, bound to C- and B-vertices. The Br atoms bound to the C-vertices have been found to form halogen bonds in the crystal structures. In contrast, Br atoms bound to B-vertices formed hydrogen bonds. Quantum chemical calculations have revealed that halogen bonding in carboranes can be much stronger than in organic architectures. These findings open new possibilities for applications of carboranes, both in materials and medicinal chemistry. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. What causes flag smut of wheat?

    USDA-ARS?s Scientific Manuscript database

    The causal agent of flag smut of wheat is currently subject to strict quarantine regulations in many countries and is believed to have a wide host range on wild and cultivated grasses. This fungus has been classified as both Urocystis agropyri and Urocystis tritici. Urocystis agropyri was first desc...

  10. China Report, Red Flag.

    DTIC Science & Technology

    1983-06-06

    the Great Truth of Marxism Lights Our Way Forward (pp 2-13) (Hu Yaobang) 1 Marxism and China’s Realities (pp 14-22) (Hu Sheng) 19 Marxism ...TRUTH OF MARXISM LIGHTS OUR WAY FORWARD Beijing RED FLAG in Chinese No 6, 16 Mar 83 pp 2-13 [Speech by Hu Yaobang, general secretary of the Central...world outlook and the most thorough theory of social revolution. From its very birth, Marxism has demonstrated its mighty power with which no other

  11. Pseudo-Kähler Quantization on Flag Manifolds

    NASA Astrophysics Data System (ADS)

    Karabegov, Alexander V.

    A unified approach to geometric, symbol and deformation quantizations on a generalized flag manifold endowed with an invariant pseudo-Kähler structure is proposed. In particular cases we arrive at Berezin's quantization via covariant and contravariant symbols.

  12. Red flag screening for low back pain: nothing to see here, move along: a narrative review.

    PubMed

    Cook, Chad E; George, Steven Z; Reiman, Michael P

    2018-04-01

    Screening for red flags in individuals with low back pain (LBP) has been a historical hallmark of musculoskeletal management. Red flag screening is endorsed by most LBP clinical practice guidelines, despite a lack of support for their diagnostic capacity. We share four major reasons why red flag screening is not consistent with best practice in LBP management: (1) clinicians do not actually screen for red flags, they manage the findings; (2) red flag symptomology negates the utility of clinical findings; (3) the tests lack the negative likelihood ratio to serve as a screen; and (4) clinical practice guidelines do not include specific processes that aid decision-making. Based on these findings, we propose that clinicians consider: (1) the importance of watchful waiting; (2) the value-based care does not support clinical examination driven by red flag symptoms; and (3) the recognition that red flag symptoms may have a stronger relationship with prognosis than diagnosis. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

  13. Metal-Mediated Halogen Exchange in Aryl and Vinyl Halides: A Review

    PubMed Central

    Evano, Gwilherm; Nitelet, Antoine; Thilmany, Pierre; Dewez, Damien F.

    2018-01-01

    Halogenated arenes and alkenes are of prime importance in many areas of science, especially in the pharmaceutical, agrochemical, and chemical industries. While the simplest ones are commercially available, some of them are still hardly accessible depending on their substitution patterns and the nature of the halogen atom. Reactions enabling the selective and efficient replacement of the halogen atom of an aryl or alkenyl halide by another one, lighter, or heavier, are therefore of major importance since they can be used for example to turn a less reactive aryl/alkenyl chloride into the more reactive iodinated derivatives or, in a reversed sense, to block an undesired reactivity, for late-stage modifications or for the introduction of a radionuclide. If some halogen exchange reactions are possible with activated substrates, they usually require catalysis with metal complexes. Remarkably efficient processes have been developed for metal-mediated halogen exchange in aryl and vinyl halides: they are overviewed, in a comprehensive manner, in this review article. PMID:29755967

  14. Metal-Mediated Halogen Exchange in Aryl and Vinyl Halides: a Review

    NASA Astrophysics Data System (ADS)

    Evano, Gwilherm; Nitelet, Antoine; Thilmany, Pierre; Dewez, Damien F.

    2018-04-01

    Halogenated arenes and alkenes are of prime importance in many areas of science, especially in the pharmaceutical, agrochemical and chemical industries. While the simplest ones are commercially available, some of them are still hardly accessible depending on their substitution patterns and the nature of the halogen atom. Reactions enabling the selective and efficient replacement of the halogen atom of an aryl or alkenyl halide by another one, lighter or heavier, are therefore of major importance since they can be used for example to turn a less reactive aryl/alkenyl chloride into the more reactive iodinated derivatives or, in a reversed sense, to block an undesired reactivity, for late-stage modifications or for the introduction of a radionuclide. If some halogen exchange reactions are possible with activated substrates, they usually require catalysis with metal complexes. Remarkably efficient processes have been developed for metal-mediated halogen exchange in aryl and vinyl halides: they are overviewed, in a comprehensive manner, in this review article.

  15. The effect of varying halogen substituent patterns on the cytochrome P450 catalysed dehalogenation of 4-halogenated anilines to 4-aminophenol metabolites.

    PubMed

    Cnubben, N H; Vervoort, J; Boersma, M G; Rietjens, I M

    1995-05-11

    The cytochrome P450 catalysed biotransformation of 4-halogenated anilines was studied in vitro with special emphasis on the dehalogenation to 4-aminophenol metabolites. The results demonstrated that a fluorine substituent at the C4 position was more easily eliminated from the aromatic ring than a chloro-, bromo- or iodo-substituent. HPLC analysis of in vitro biotransformation patterns revealed that the dehalogenation of the C4-position was accompanied by formation of non-halogenated 4-aminophenol, without formation of NIH-shifted metabolites. Changes in the apparent Vmax for the microsomal oxidative dehalogenation appeared to correlate with the electronegativity of the halogen substituent at C4, the fluorine substituent being the one most easily eliminated. A similar decrease in the rate of dehalogenation from a fluoro- to a chloro- to a bromo- to an iodo-substituent was observed in a system with purified reconstituted cytochrome P450 IIB1, in a tertiair butyl hydroperoxide supported microsomal cytochrome P450 system as well as in a system with microperoxidase 8. This microperoxidase 8 is a haem-based mini-enzyme without a substrate binding site, capable of catalysing cytochrome P450-like reaction chemistry. Together, these results excluded the possibility that the difference in the rate of dehalogenation with a varying C4-halogen substituent arose from a change in the contribution of cytochrome P450 enzymes involved in oxidative dehalogenation with a change in the halogen substituent. Rather, they strongly suggested that the difference was indeed due to an intrinsic electronic parameter of the various C4 halogenated anilines dependent on the type of halogen substituent. Additional in vitro experiments with polyfluorinated anilines demonstrated that elimination of the C4-fluorine substituent became more difficult upon the introduction of additional electron withdrawing fluorine substituents in the aniline-ring. 19F-NMR analysis of the metabolite patterns showed

  16. The Full Kostant-Toda Hierarchy on the Positive Flag Variety

    NASA Astrophysics Data System (ADS)

    Kodama, Yuji; Williams, Lauren

    2015-04-01

    We study some geometric and combinatorial aspects of the solution to the full Kostant-Toda (f-KT) hierarchy, when the initial data is given by an arbitrary point on the totally non-negative (tnn) flag variety of . The f-KT flows on the tnn flag variety are complete, and we show that their asymptotics are completely determined by the cell decomposition of the tnn flag variety given by Rietsch (Total positivity and real flag varieties. Ph.D. Thesis, Massachusetts Institute of Technology, Cambridge, 1998). Our results represent the first results on the asymptotics of the f-KT hierarchy (and even the f-KT lattice); moreover, our results are not confined to the generic flow, but cover non-generic flows as well. We define the f-KT flow on the weight space via the moment map, and show that the closure of each f-KT flow forms an interesting convex polytope which we call a Bruhat interval polytope. In particular, the Bruhat interval polytope for the generic flow is the permutohedron of the symmetric group . We also prove analogous results for the full symmetric Toda hierarchy, by mapping our f-KT solutions to those of the full symmetric Toda hierarchy. In the appendix we show that Bruhat interval polytopes are generalized permutohedra, in the sense of Postnikov (Int. Math. Res. Not. IMRN (6):1026-1106, 2009).

  17. The relation between molecular structure and biological activity among mononitrophenols containing halogens

    USGS Publications Warehouse

    Applegate, Vernon C.; Johnson, B.G.H.; Smith, Manning A.

    1966-01-01

    The results of tests of the biological activity of certain nitrophenols containing halogen are reported. Some of these are shown to be significantly more toxic to larvae of the sea lamprey (Petromyzon marinus L.) than to fishes. It is proposed that the death of lamprey larvae exposed to these compounds results from an acute hypotension (shock) with concomitant circulatory and respiratory failure. Rainbow trout (Salmo gairdneri), on the other hand, appear to die, at higher concentrations of the toxin, due to a chemically-caused mechanical interference with respiration through the gills. A systematic series of studies of mononitrophenols containing halogens disclosed that those phenols having the nitro group in the para-position and a halogen atom or group in the meta-position are generally more toxic to lampreys than to fish. The halogens or halogen groups used in this study were fluorine, chlorine, bromine, and trifluormethyl. The same substituents in other positions only occasionally gave rise to selectively toxic compounds. The relationship between the selectively active class of nitrophenols containing halogens and other related structures is discussed.

  18. Synthesis and materialization of a reaction-diffusion French flag pattern

    NASA Astrophysics Data System (ADS)

    Zadorin, Anton S.; Rondelez, Yannick; Gines, Guillaume; Dilhas, Vadim; Urtel, Georg; Zambrano, Adrian; Galas, Jean-Christophe; Estevez-Torres, André

    2017-10-01

    During embryo development, patterns of protein concentration appear in response to morphogen gradients. These patterns provide spatial and chemical information that directs the fate of the underlying cells. Here, we emulate this process within non-living matter and demonstrate the autonomous structuration of a synthetic material. First, we use DNA-based reaction networks to synthesize a French flag, an archetypal pattern composed of three chemically distinct zones with sharp borders whose synthetic analogue has remained elusive. A bistable network within a shallow concentration gradient creates an immobile, sharp and long-lasting concentration front through a reaction-diffusion mechanism. The combination of two bistable circuits generates a French flag pattern whose 'phenotype' can be reprogrammed by network mutation. Second, these concentration patterns control the macroscopic organization of DNA-decorated particles, inducing a French flag pattern of colloidal aggregation. This experimental framework could be used to test reaction-diffusion models and fabricate soft materials following an autonomous developmental programme.

  19. Substituent Effects on the [N-I-N](+) Halogen Bond.

    PubMed

    Carlsson, Anna-Carin C; Mehmeti, Krenare; Uhrbom, Martin; Karim, Alavi; Bedin, Michele; Puttreddy, Rakesh; Kleinmaier, Roland; Neverov, Alexei A; Nekoueishahraki, Bijan; Gräfenstein, Jürgen; Rissanen, Kari; Erdélyi, Máté

    2016-08-10

    We have investigated the influence of electron density on the three-center [N-I-N](+) halogen bond. A series of [bis(pyridine)iodine](+) and [1,2-bis((pyridine-2-ylethynyl)benzene)iodine](+) BF4(-) complexes substituted with electron withdrawing and donating functionalities in the para-position of their pyridine nitrogen were synthesized and studied by spectroscopic and computational methods. The systematic change of electron density of the pyridine nitrogens upon alteration of the para-substituent (NO2, CF3, H, F, Me, OMe, NMe2) was confirmed by (15)N NMR and by computation of the natural atomic population and the π electron population of the nitrogen atoms. Formation of the [N-I-N](+) halogen bond resulted in >100 ppm (15)N NMR coordination shifts. Substituent effects on the (15)N NMR chemical shift are governed by the π population rather than the total electron population at the nitrogens. Isotopic perturbation of equilibrium NMR studies along with computation on the DFT level indicate that all studied systems possess static, symmetric [N-I-N](+) halogen bonds, independent of their electron density. This was further confirmed by single crystal X-ray diffraction data of 4-substituted [bis(pyridine)iodine](+) complexes. An increased electron density of the halogen bond acceptor stabilizes the [N···I···N](+) bond, whereas electron deficiency reduces the stability of the complexes, as demonstrated by UV-kinetics and computation. In contrast, the N-I bond length is virtually unaffected by changes of the electron density. The understanding of electronic effects on the [N-X-N](+) halogen bond is expected to provide a useful handle for the modulation of the reactivity of [bis(pyridine)halogen](+)-type synthetic reagents.

  20. Substituent Effects on the [N–I–N]+ Halogen Bond

    PubMed Central

    2016-01-01

    We have investigated the influence of electron density on the three-center [N–I–N]+ halogen bond. A series of [bis(pyridine)iodine]+ and [1,2-bis((pyridine-2-ylethynyl)benzene)iodine]+ BF4– complexes substituted with electron withdrawing and donating functionalities in the para-position of their pyridine nitrogen were synthesized and studied by spectroscopic and computational methods. The systematic change of electron density of the pyridine nitrogens upon alteration of the para-substituent (NO2, CF3, H, F, Me, OMe, NMe2) was confirmed by 15N NMR and by computation of the natural atomic population and the π electron population of the nitrogen atoms. Formation of the [N–I–N]+ halogen bond resulted in >100 ppm 15N NMR coordination shifts. Substituent effects on the 15N NMR chemical shift are governed by the π population rather than the total electron population at the nitrogens. Isotopic perturbation of equilibrium NMR studies along with computation on the DFT level indicate that all studied systems possess static, symmetric [N–I–N]+ halogen bonds, independent of their electron density. This was further confirmed by single crystal X-ray diffraction data of 4-substituted [bis(pyridine)iodine]+ complexes. An increased electron density of the halogen bond acceptor stabilizes the [N···I···N]+ bond, whereas electron deficiency reduces the stability of the complexes, as demonstrated by UV-kinetics and computation. In contrast, the N–I bond length is virtually unaffected by changes of the electron density. The understanding of electronic effects on the [N–X–N]+ halogen bond is expected to provide a useful handle for the modulation of the reactivity of [bis(pyridine)halogen]+-type synthetic reagents. PMID:27265247

  1. New quantitative trait loci in wheat for flag leaf resistance to Stagonospora nodorum blotch.

    PubMed

    Francki, M G; Shankar, M; Walker, E; Loughman, R; Golzar, H; Ohm, H

    2011-11-01

    Stagonospora nodorum blotch (SNB) is a significant disease in some wheat-growing regions of the world. Resistance in wheat to Stagonospora nodorum is complex, whereby genes for seedling, flag leaf, and glume resistance are independent. The aims of this study were to identify alternative genes for flag leaf resistance, to compare and contrast with known quantitative trait loci (QTL) for SNB resistance, and to determine the potential role of host-specific toxins for SNB QTL. Novel QTL for flag leaf resistance were identified on chromosome 2AS inherited from winter wheat parent 'P92201D5' and chromosome 1BS from spring wheat parent 'EGA Blanco'. The chromosomal map position of markers associated with QTL on 1BS and 2AS indicated that they were unlikely to be associated with known host-toxin insensitivity loci. A QTL on chromosome 5BL inherited from EGA Blanco had highly significant association with markers fcp001 and fcp620 based on disease evaluation in 2007 and, therefore, is likely to be associated with Tsn1-ToxA insensitivity for flag leaf resistance. However, fcp001 and fcp620 were not associated with a QTL detected based on disease evaluation in 2008, indicating two linked QTL for flag leaf resistance with multiple genes residing on 5BL. This study identified novel QTL and their effects in controlling flag leaf SNB resistance.

  2. Red flag findings in children with headaches: Prevalence and association with emergency department neuroimaging.

    PubMed

    Tsze, Daniel S; Ochs, Julie B; Gonzalez, Ariana E; Dayan, Peter S

    2018-01-01

    Background Clinicians appear to obtain emergent neuroimaging for children with headaches based on the presence of red flag findings. However, little data exists regarding the prevalence of these findings in emergency department populations, and whether the identification of red flag findings is associated with potentially unnecessary emergency department neuroimaging. Objectives We aimed to determine the prevalence of red flag findings and their association with neuroimaging in otherwise healthy children presenting with headaches to the emergency department. Our secondary aim was to determine the prevalence of emergent intracranial abnormalities in this population. Methods A prospective cohort study of otherwise healthy children 2-17 years of age presenting to an urban pediatric emergency department with non-traumatic headaches was undertaken. Emergency department physicians completed a standardized form to document headache descriptors and characteristics, associated symptoms, and physical and neurological exam findings. Children who did not receive emergency department neuroimaging received 4-month telephone follow-up. Outcomes included emergency department neuroimaging and the presence of emergent intracranial abnormalities. Results We enrolled 224 patients; 197 (87.9%) had at least one red flag finding on history. Several red flag findings were reported by more than a third of children, including: Headache waking from sleep (34.8%); headache present with or soon after waking (39.7%); or headaches increasing in frequency, duration and severity (40%, 33.1%, and 46.3%). Thirty-three percent of children received emergency department neuroimaging. The prevalence of emergent intracranial abnormalities was 1% (95% CI 0.1, 3.6). Abnormal neurological exam, extreme pain intensity of presenting headache, vomiting, and positional symptoms were independently associated with emergency department neuroimaging. Conclusions Red flag findings are common in children presenting

  3. Double-chamber electrode for spectrochemical determination of chlorine and other halogens

    USGS Publications Warehouse

    de Paiva, Azevedo; Specht, A.W.; Harner, R.S.

    1954-01-01

    A double-chamber, graphite electrode, suitable for d.c. arc determination of halogens by means of the alkaline earth halide bands, is described. An upper chamber holds the alkaline earth compound and an interconnected, lower chamber holds the halogen compound. This arrangement assures that there will be an abundance of alkaline earths in the arc by the time the halogen is volatilized from the lower chamber, and thereby promotes maximum emission of the alkaline earth halide bands. ?? 1954.

  4. Halogen radicals contribute to photooxidation in coastal and estuarine waters

    PubMed Central

    Parker, Kimberly M.; Mitch, William A.

    2016-01-01

    Although halogen radicals are recognized to form as products of hydroxyl radical (•OH) scavenging by halides, their contribution to the phototransformation of marine organic compounds has received little attention. We demonstrate that, relative to freshwater conditions, seawater halides can increase photodegradation rates of domoic acid, a marine algal toxin, and dimethyl sulfide, a volatile precursor to cloud condensation nuclei, up to fivefold. Using synthetic seawater solutions, we show that the increased photodegradation is specific to dissolved organic matter (DOM) and halides, rather than other seawater salt constituents (e.g., carbonates) or photoactive species (e.g., iron and nitrate). Experiments in synthetic and natural coastal and estuarine water samples demonstrate that the halide-specific increase in photodegradation could be attributed to photochemically generated halogen radicals rather than other photoproduced reactive intermediates [e.g., excited-state triplet DOM (3DOM*), reactive oxygen species]. Computational kinetic modeling indicates that seawater halogen radical concentrations are two to three orders of magnitude greater than freshwater •OH concentrations and sufficient to account for the observed halide-specific increase in photodegradation. Dark •OH generation by gamma radiolysis demonstrates that halogen radical production via •OH scavenging by halides is insufficient to explain the observed effect. Using sensitizer models for DOM chromophores, we show that halogen radicals are formed predominantly by direct oxidation of Cl− and Br− by 3DOM*, an •OH-independent pathway. Our results indicate that halogen radicals significantly contribute to the phototransformation of algal products in coastal or estuarine surface waters. PMID:27162335

  5. Red eyes and red-flags: improving ophthalmic assessment and referral in primary care.

    PubMed

    Kilduff, Caroline; Lois, Charis

    2016-01-01

    Up to five percent of primary care consultations are eye-related, yet 96% of General Practitioners (GPs) do not undergo postgraduate ophthalmology training. Most do not feel assured performing eye assessments. Some red eye conditions can become sight threatening, and often exhibit red-flag features. These features include moderate pain, photophobia, reduced visual acuity (VA), eye-trauma, or unilateral marked redness. The aim of this project was to improve primary care assessment and referral of patients presenting with red-flag features based on the NICE 'Red Eye' Clinical Knowledge Summary recommendations. Data was collected retrospectively from 139 red eye consultations. A practice meeting highlighted poor awareness of red-flag features, low confidence levels in eye assessments, and time-constraints during appointments. Interventions were based on feedback from staff. These included a primary care teaching session on red-flag features, a VA measurement tutorial, and provision of a red eye toolkit, including VA equipment, to each consultation room. At baseline, each patient had on average 0.9 red-flag features assessed. Only 36.0% (9/25) of patients with red-flag features were appropriately referred to same-day ophthalmology services. Following two improvement cycles, a significant improvement was seen in almost every parameter. On average, each patient had 2.7 red-flag features assessed (vs 0.9, p<0.001). VA was assessed in 55.6% of consultations (vs 7.9%, p<0.001), pain was quantified in 81.5% (vs 20.9%, p=0.005), eye-trauma or foreign-body (51.8% vs 8.6%, p<0.001), extent of redness was documented in 66.7% (vs 14.4%, p<0.001). Only photophobia remained poorly assessed (18.5% vs 14.4%, p=0.75). Following this, 75.0% (6/8) of patients were appropriately referred. This project reflected the literature regarding low confidence and inexperience amongst GPs when faced with ophthalmic conditions. Improvements in education are required to ensure accurate assessments

  6. Red eyes and red-flags: improving ophthalmic assessment and referral in primary care

    PubMed Central

    Kilduff, Caroline; Lois, Charis

    2016-01-01

    Up to five percent of primary care consultations are eye-related, yet 96% of General Practitioners (GPs) do not undergo postgraduate ophthalmology training. Most do not feel assured performing eye assessments. Some red eye conditions can become sight threatening, and often exhibit red-flag features. These features include moderate pain, photophobia, reduced visual acuity (VA), eye-trauma, or unilateral marked redness. The aim of this project was to improve primary care assessment and referral of patients presenting with red-flag features based on the NICE ‘Red Eye’ Clinical Knowledge Summary recommendations. Data was collected retrospectively from 139 red eye consultations. A practice meeting highlighted poor awareness of red-flag features, low confidence levels in eye assessments, and time-constraints during appointments. Interventions were based on feedback from staff. These included a primary care teaching session on red-flag features, a VA measurement tutorial, and provision of a red eye toolkit, including VA equipment, to each consultation room. At baseline, each patient had on average 0.9 red-flag features assessed. Only 36.0% (9/25) of patients with red-flag features were appropriately referred to same-day ophthalmology services. Following two improvement cycles, a significant improvement was seen in almost every parameter. On average, each patient had 2.7 red-flag features assessed (vs 0.9, p<0.001). VA was assessed in 55.6% of consultations (vs 7.9%, p<0.001), pain was quantified in 81.5% (vs 20.9%, p=0.005), eye-trauma or foreign-body (51.8% vs 8.6%, p<0.001), extent of redness was documented in 66.7% (vs 14.4%, p<0.001). Only photophobia remained poorly assessed (18.5% vs 14.4%, p=0.75). Following this, 75.0% (6/8) of patients were appropriately referred. This project reflected the literature regarding low confidence and inexperience amongst GPs when faced with ophthalmic conditions. Improvements in education are required to ensure accurate

  7. Halogenation of cobalt dicarbollide

    DOEpatents

    Hurlburt, Paul K.; Abney, Kent D.; Kinkead, Scott A.

    1997-01-01

    A method for selectively adding chlorine, bromine, or iodine to cobalt dicarbollide anions by means of electrophilic substitution reactions. Halogens are added only to the B10 and B10' positions of the anion. The process involves use of hypohalous acid or N-halosuccinimide or gaseous chlorine in the presence of iron.

  8. Blue Flag Distributed Wargaming System

    DTIC Science & Technology

    1992-07-01

    combat simulation , and multi- site video teleconferencing (VTC). The Warrior Flag 90 feasibility demonstration was sponsored by the 4441st Tactical...provide RS-422 cross patching, loop -back and test points. At the hub six CSUs and two fiber optic modems were cabled in the normal-thru configuration...spare crypto or the fiber optic modem may be placed on-line via a patch. Loop plugs were provided for testing. Clock switches were provided to switch

  9. Halogenated naphthyl methoxy piperidines for mapping serotonin transporter sites

    DOEpatents

    Goodman, Mark M.; Faraj, Bahjat

    1999-01-01

    Halogenated naphthyl methoxy piperidines having a strong affinity for the serotonin transporter are disclosed. Those compounds can be labeled with positron-emitting and/or gamma emitting halogen isotopes by a late step synthesis that maximizes the useable lifeterm of the label. The labeled compounds are useful for localizing serotonin transporter sites by positron emission tomography and/or single photon emission computed tomography.

  10. Halogenated naphthyl methoxy piperidines for mapping serotonin transporter sites

    DOEpatents

    Goodman, M.M.; Faraj, B.

    1999-07-06

    Halogenated naphthyl methoxy piperidines having a strong affinity for the serotonin transporter are disclosed. Those compounds can be labeled with positron-emitting and/or gamma emitting halogen isotopes by a late step synthesis that maximizes the useable lifeterm of the label. The labeled compounds are useful for localizing serotonin transporter sites by positron emission tomography and/or single photon emission computed tomography.

  11. RESIDUAL RISK ASSESSMENT: HALOGENATED SOLVENTS

    EPA Science Inventory

    This source category previously subjected to a technology-based standard will be examined to determine if health or ecological risks are significant enough to warrant further regulation for Halogenated Solvent Degreasing Facilities. These assessments utilize existing models and d...

  12. Reduction of halogenated ethanes by green rust.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    O'Loughlin, E. J.; Burris, D. R.; Environmental Research

    Green rusts, mixed Fe{sup II}/Fe{sup III} hydroxide minerals present in many suboxic environments, have been shown to reduce a number of organic and inorganic contaminants. The reduction of halogenated ethanes was examined in aqueous suspensions of green rust, both alone and with the addition of Ag{sup I} (AgGR) and Cu{sup II} (CuGR). Hexachloroethane (HCA), pentachloroethane (PCA), 1,1,1,2-tetrachloroethane (1,1,1,2-TeCA), 1,1,2,2-tetrachloroethane (1,1,2,2-TeCA), 1,1,1-trichloroethane (1,1,1-TCA), 1,1,2-trichloroethane (1,1,2-TCA), 1,1-dichloroethane (1,1-DCA), and 1,2-dibromoethane were reduced in the presence of green rust alone, AgGR, or CuGR; only 1,2-dichloroethane and chloroethane were nonreactive. The reduction was generally more rapid for more highly substituted ethanes than for ethanesmore » having fewer halogen groups (HCA > PCA > 1,1,1,2-TeCA > 1,1,1-TCA > 1,1,2,2-TeCA > 1,1,2-TCA > 1,1-DCA), and isomers with the more asymmetric distributions of halogen groups were more rapidly reduced than the isomer with greater symmetry (e.g., 1,1,1-TCA > 1,1,2-TCA). The addition of Ag{sup I} or Cu{sup II} to green rust suspensions resulted in a substantial increase in the rate of halogenated ethane reduction as well as significant differences in the product distributions with respect to green rust alone.« less

  13. An Auto-flag Method of Radio Visibility Data Based on Support Vector Machine

    NASA Astrophysics Data System (ADS)

    Dai, Hui-mei; Mei, Ying; Wang, Wei; Deng, Hui; Wang, Feng

    2017-01-01

    The Mingantu Ultrawide Spectral Radioheliograph (MUSER) has entered a test observation stage. After the construction of the data acquisition and storage system, it is urgent to automatically flag and eliminate the abnormal visibility data so as to improve the imaging quality. In this paper, according to the observational records, we create a credible visibility set, and further obtain the corresponding flag model of visibility data by using the support vector machine (SVM) technique. The results show that the SVM is a robust approach to flag the MUSER visibility data, and can attain an accuracy of about 86%. Meanwhile, this method will not be affected by solar activities, such as flare eruptions.

  14. Binding interactions of halogenated bisphenol A with mouse PPARα: In vitro investigation and molecular dynamics simulation.

    PubMed

    Zhang, Jie; Li, Tiezhu; Wang, Tuoyi; Guan, Tianzhu; Yu, Hansong; Li, Zhuolin; Wang, Yongzhi; Wang, Yongjun; Zhang, Tiehua

    2018-02-01

    The binding of bisphenol A (BPA) and its halogenated derivatives (halogenated BPAs) to mouse peroxisome proliferator-activated receptor α ligand binding domain (mPPARα-LBD) was examined by a combination of in vitro investigation and in silico simulation. Fluorescence polarization (FP) assay showed that halogenated BPAs could bind to mPPARα-LBD* as the affinity ligands. The calculated electrostatic potential (ESP) illustrated the different charge distributions of halogenated BPAs with altered halogenation patterns. As electron-attracting substituents, halogens decrease the positive electrostatic potential and thereby have a significant influence on the electrostatic interactions of halogenated BPAs with mPPARα-LBD*. The docking results elucidated that hydrophobic and hydrogen-bonding interactions may also contribute to stabilize the binding of the halogenated BPAs to their receptor molecule. Comparison of the calculated binding energies with the experimentally determined affinities yielded a good correlation (R 2 =0.6659) that could provide a rational basis for designing environmentally benign chemicals with reduced toxicities. This work can potentially be used for preliminary screening of halogenated BPAs. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Halogenation of cobalt dicarbollide

    DOEpatents

    Hurlburt, P.K.; Abney, K.D.; Kinkead, S.A.

    1997-05-20

    A method for selectively adding chlorine, bromine, or iodine to cobalt dicarbollide anions by means of electrophilic substitution reactions. Halogens are added only to the B10 and B10{prime} positions of the anion. The process involves use of hypohalous acid or N-halosuccinimide or gaseous chlorine in the presence of iron. 1 fig.

  16. Bernard J. Cigrand, DDS: Father of Flag Day and renaissance man.

    PubMed

    Spiegel, Allen D; Kavaler, Florence

    2007-06-01

    Dr. Bernard J. Cigrand is acknowledged as the "Father of Flag Day." He relentlessly continued his activities for more than sixty years to have June 14 designated for the national observance of the birth of the American flag. That finally occurred in 1948, seventeen years after his death, when President Harry S. Truman signed a Congressional Act into law. However, the law designated a voluntary observance but did not create a legal national holiday. In addition to his fervent passion for Flag Day, Cigrand undertook a variety of other initiatives He was a practicing dentist, the dean of a dental school, an investigative journalist, an expert on heraldry and seals, a lecturer and an author of books. Despite all his achievements, Cigrand is more widely known in the European country from where his parents emigrated to the United States in 1852 - Luxembourg, than in the United States.

  17. Assessment of advanced warning signs for flagging operations.

    DOT National Transportation Integrated Search

    1999-05-01

    The Virginia Department of Transportation (VDOT) and several other state departments : of transportation have expressed interest in modifying the advanced warning sign for work zone : flagging operations. The advanced warning sign is intended to aler...

  18. Investigation of reactive halogens in the Arctic using a mobile instrumental laboratory

    NASA Astrophysics Data System (ADS)

    Custard, K.; Shepson, P. B.; Stephens, C. R.

    2011-12-01

    Custard, K kcustard@purdue.edu Chemistry Department, Purdue University, West Lafayette, IN, USA Shepson, P pshepson@purdue.edu Chemistry Department, Purdue University, West Lafayette, IN, USA Stephens, C thompscr@purdue.edu Chemistry Department, Purdue University, West Lafayette, IN, USA Investigation of the chemistry of reactive halogens in ice-covered regions is important because of its significant impact on atmospheric composition. Halogens in the Arctic react with ozone and gaseous elemental mercury to sometimes completely deplete them from the ambient atmosphere, at least during polar springtime. There is much uncertainty about the sources and concentrations of these atmospheric halogens in the Arctic, particularly with respect to chlorine. To gain a better understanding of them, we have developed a method to simultaneously measure the concentrations of BrOx and ClOx radicals using a flowtube method. The method involves reaction of the halogen atom with a halogenated alkene, to produce a multiply halogenated characteristic ketone product, which is then detected via GC/ECD. The system was deployed at Barrow, AK, using a mobile instrumental laboratory so that measurements could be made from multiple locations along the sea ice. In this paper we will discuss laboratory evaluation of the flowtube method, and present preliminary data from Barrow, AK, during the spring 2011 deployment.

  19. Concentration-dependent multiple chirality transition in halogen-bond-driven 2D self-assembly process

    NASA Astrophysics Data System (ADS)

    Miao, Xinrui; Li, Jinxing; Zha, Bao; Miao, Kai; Dong, Meiqiu; Wu, Juntian; Deng, Wenli

    2018-03-01

    The concentration-dependent self-assembly of iodine substituted thienophenanthrene derivative (5,10-DITD) is investigated at the 1-octanic acid/graphite interface using scanning tunneling microscopy. Three kinds of chiral arrangement and transition of 2D molecular assembly mainly driven by halogen bonding is clearly revealed. At high concentration the molecules self-assembled into a honeycomb-like chiral network. Except for the interchain van der Waals forces, this pattern is stabilized by intermolecular continuous Cdbnd O⋯I⋯S halogen bonds in each zigzag line. At moderate concentration, a chiral kite-like nanoarchitecture are observed, in which the Cdbnd O⋯I⋯S and I⋯Odbnd C halogen bonds, along with the molecule-solvent Cdbnd O⋯I⋯H halogen bonds are the dominated forces to determine the structural formation. At low concentration, the molecules form a chiral cyclic network resulting from the solvent coadsorption mainly by molecule-molecule Cdbnd O⋯I⋯S halogen bonds and molecule-solvent Cdbnd O⋯I⋯H halogen bonds. The density of molecular packing becomes lower with the decreasing of the solution concentration. The solution-concentration dependent self-assembly of thienophenanthrene derivative with iodine and ester chain moieties reveals that the type of intermolecular halogen bond and the number of the co-adsorbing 1-octanic acids by molecule-solvent Cdbnd O⋯I⋯H halogen bonds determine the formation and transformation of chirality. This research emphasizes the role of different types of halogen (I) bonds in the controllable supramolecular structures and provides an approach for the fabrication of chirality.

  20. Flagging threshold optimization for manual blood smear review in primary care laboratory.

    PubMed

    Bihl, Pierre-Adrien

    2018-04-01

    Manual blood smear review is required when an anomaly detected by the automated hematologic analyzer triggers a flag. Our will through this study is to optimize these flagging thresholds for manual slide review in order to limit workload, while insuring clinical care through no extra false-negative. Flagging causes of 4,373 samples were investigated by manual slide review, after having been run on ADVIA 2120i. A set of 6 user-adjustments is proposed. By implementing all recommendations that we made, false-positive rate falls from 81.8% to 58.6%, while PPV increases from 18.2% to 23.7%. Hence, use of such optimized thresholds enables us to maximize efficiency without altering clinical care, but each laboratory should establish its own criteria to take into consideration local distinctive features.

  1. Workers painting the Flag and Meatball on the VAB

    NASA Image and Video Library

    2007-01-03

    Elevated platforms are seen hanging on the side of Kennedy Space Center's Vehicle Assembly Building in a view looking across from the turn basin. To the right is the large external tank barge. Workers, suspended on the platforms from the top of the 525-foot-high VAB, use rollers and brushes to do the painting. The flag and logo were last painted in 1998, honoring NASA's 40th anniversary. The flag spans an area 209 feet by 110 feet, or about 23, 437 square feet. Each stripe is 9 feet wide and each star is 6 feet in diameter. The logo, also known as the "meatball," measures 110 feet by 132 feet, or about 12,300 square feet.

  2. Race Discourse and the US Confederate Flag

    ERIC Educational Resources Information Center

    Holyfield, Lori; Moltz, Matthew Ryan; Bradley, Mindy S.

    2009-01-01

    Research reveals that racial hierarchies and "color-blind" racism is maintained through discourse. The current study utilizes exploratory data from focus groups in a predominantly white southern university in the United States to examine race talk, the Confederate Flag, and the construction of southern white identity. Drawing from…

  3. Customization of Advia 120 thresholds for canine erythrocyte volume and hemoglobin concentration, and effects on morphology flagging results.

    PubMed

    Grimes, Carolyn N; Fry, Michael M

    2014-12-01

    This study sought to develop customized morphology flagging thresholds for canine erythrocyte volume and hemoglobin concentration [Hgb] on the ADVIA 120 hematology analyzer; compare automated morphology flagging with results of microscopic blood smear evaluation; and examine effects of customized thresholds on morphology flagging results. Customized thresholds were determined using data from 52 clinically healthy dogs. Blood smear evaluation and automated morphology flagging results were correlated with mean cell volume (MCV) and cellular hemoglobin concentration mean (CHCM) in 26 dogs. Customized thresholds were applied retroactively to complete blood (cell) count (CBC) data from 5 groups of dogs, including a reference sample group, clinical cases, and animals with experimentally induced iron deficiency anemia. Automated morphology flagging correlated more highly with MCV or CHCM than did blood smear evaluation; correlation with MCV was highest using customized thresholds. Customized morphology flagging thresholds resulted in more sensitive detection of microcytosis, macrocytosis, and hypochromasia than default thresholds.

  4. Fine tuning of graphene properties by modification with aryl halogens

    NASA Astrophysics Data System (ADS)

    Bouša, D.; Pumera, M.; Sedmidubský, D.; Šturala, J.; Luxa, J.; Mazánek, V.; Sofer, Z.

    2016-01-01

    Graphene and its derivatives belong to one of the most intensively studied materials. The radical reaction using halogen derivatives of arene-diazonium salts can be used for effective control of graphene's electronic properties. In our work we investigated the influence of halogen atoms (fluorine, chlorine, bromine and iodine) as well as their position on the benzene ring towards the electronic and electrochemical properties of modified graphenes. The electronegativity as well as the position of the halogen atoms on the benzene ring has crucial influence on graphene's properties due to the inductive and mesomeric effects. The results of resistivity measurement are in good agreement with the theoretical calculations of electron density within chemically modified graphene sheets. Such simple chemical modifications of graphene can be used for controllable and scalable synthesis of graphene with tunable transport properties.Graphene and its derivatives belong to one of the most intensively studied materials. The radical reaction using halogen derivatives of arene-diazonium salts can be used for effective control of graphene's electronic properties. In our work we investigated the influence of halogen atoms (fluorine, chlorine, bromine and iodine) as well as their position on the benzene ring towards the electronic and electrochemical properties of modified graphenes. The electronegativity as well as the position of the halogen atoms on the benzene ring has crucial influence on graphene's properties due to the inductive and mesomeric effects. The results of resistivity measurement are in good agreement with the theoretical calculations of electron density within chemically modified graphene sheets. Such simple chemical modifications of graphene can be used for controllable and scalable synthesis of graphene with tunable transport properties. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06295k

  5. Halogen-free benzoxazine based curable compositions for high TG applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tietze, Roger; Nguyen, Yen-Loan

    The present invention provides a halogen-free curable composition including a benzoxazine monomer, at least one epoxy resin, a catalyst, a toughening agent and a solvent. The halogen-free curable composition is especially suited for use in automobile and aerospace applications since the composition, upon curing, produces a composite having a high glass transition temperature.

  6. Halogen bonding (X-bonding): A biological perspective

    PubMed Central

    Scholfield, Matthew R; Zanden, Crystal M Vander; Carter, Megan; Ho, P Shing

    2013-01-01

    The concept of the halogen bond (or X-bond) has become recognized as contributing significantly to the specificity in recognition of a large class of halogenated compounds. The interaction is most easily understood as primarily an electrostatically driven molecular interaction, where an electropositive crown, or σ-hole, serves as a Lewis acid to attract a variety of electron-rich Lewis bases, in analogous fashion to a classic hydrogen bonding (H-bond) interaction. We present here a broad overview of X-bonds from the perspective of a biologist who may not be familiar with this recently rediscovered class of interactions and, consequently, may be interested in how they can be applied as a highly directional and specific component of the molecular toolbox. This overview includes a discussion for where X-bonds are found in biomolecular structures, and how their structure–energy relationships are studied experimentally and modeled computationally. In total, our understanding of these basic concepts will allow X-bonds to be incorporated into strategies for the rational design of new halogenated inhibitors against biomolecular targets or toward molecular engineering of new biological-based materials. PMID:23225628

  7. 14 CFR 121.641 - Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...-powered airplanes: Flag operations. 121.641 Section 121.641 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.641 Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations. (a) No person may dispatch or take off a nonturbine or turbo-propeller-powered airplane unless...

  8. 14 CFR 121.641 - Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...-powered airplanes: Flag operations. 121.641 Section 121.641 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.641 Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations. (a) No person may dispatch or take off a nonturbine or turbo-propeller-powered airplane unless...

  9. 14 CFR 121.641 - Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ...-powered airplanes: Flag operations. 121.641 Section 121.641 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.641 Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations. (a) No person may dispatch or take off a nonturbine or turbo-propeller-powered airplane unless...

  10. 14 CFR 121.641 - Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations. 121.641 Section 121.641 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.641 Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag...

  11. 14 CFR 121.641 - Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag operations. 121.641 Section 121.641 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.641 Fuel supply: Nonturbine and turbo-propeller-powered airplanes: Flag...

  12. Process for oxidation of hydrogen halides to elemental halogens

    DOEpatents

    Lyke, Stephen E.

    1992-01-01

    An improved process for generating an elemental halogen selected from chlorine, bromine or iodine, from a corresponding hydrogen halide by absorbing a molten salt mixture, which includes sulfur, alkali metals and oxygen with a sulfur to metal molar ratio between 0.9 and 1.1 and includes a dissolved oxygen compound capable of reacting with hydrogen halide to produce elemental halogen, into a porous, relatively inert substrate to produce a substrate-supported salt mixture. Thereafter, the substrate-supported salt mixture is contacted (stage 1) with a hydrogen halide while maintaining the substrate-supported salt mixture during the contacting at an elevated temperature sufficient to sustain a reaction between the oxygen compound and the hydrogen halide to produce a gaseous elemental halogen product. This is followed by purging the substrate-supported salt mixture with steam (stage 2) thereby recovering any unreacted hydrogen halide and additional elemental halogen for recycle to stage 1. The dissolved oxygen compound is regenerated in a high temperature (stage 3) and an optical intermediate temperature stage (stage 4) by contacting the substrate-supported salt mixture with a gas containing oxygen whereby the dissolved oxygen compound in the substrate-supported salt mixture is regenerated by being oxidized to a higher valence state.

  13. Genetic dissection and validation of candidate genes for flag leaf size in rice (Oryza sativa L.).

    PubMed

    Tang, Xinxin; Gong, Rong; Sun, Wenqiang; Zhang, Chaopu; Yu, Sibin

    2018-04-01

    Two major loci with functional candidate genes were identified and validated affecting flag leaf size, which offer desirable genes to improve leaf architecture and photosynthetic capacity in rice. Leaf size is a major determinant of plant architecture and yield potential in crops. However, the genetic and molecular mechanisms regulating leaf size remain largely elusive. In this study, quantitative trait loci (QTLs) for flag leaf length and flag leaf width in rice were detected with high-density single nucleotide polymorphism genotyping of a chromosomal segment substitution line (CSSL) population, in which each line carries one or a few chromosomal segments from the japonica cultivar Nipponbare in a common background of the indica variety Zhenshan 97. In total, 14 QTLs for flag leaf length and nine QTLs for flag leaf width were identified in the CSSL population. Among them, qFW4-2 for flag leaf width was mapped to a 37-kb interval, with the most likely candidate gene being the previously characterized NAL1. Another major QTL for both flag leaf width and length was delimited by substitution mapping to a small region of 13.5 kb that contains a single gene, Ghd7.1. Mutants of Ghd7.1 generated using CRISPR/CAS9 approach showed reduced leaf size. Allelic variation analyses also validated Ghd7.1 as a functional candidate gene for leaf size, photosynthetic capacity and other yield-related traits. These results provide useful genetic information for the improvement of leaf size and yield in rice breeding programs.

  14. A Retrospective Estimate of Ear Disease Detection Using the "Red Flags" in a Clinical Sample.

    PubMed

    Klyn, Niall A M; Kleindienst Robler, Samantha; Alfakir, Razan; Nielsen, Donald W; Griffith, James W; Carlson, Deborah L; Lundy, Larry; Dhar, Sumitrajit; Zapala, David A

    2018-03-01

    The purpose of this study was to evaluate the specificity and sensitivity of two red flag protocols in detecting ear diseases associated with changes in hearing. The presence of red-flag symptoms was determined in a chart review of 307 adult patients from the Mayo Clinic Florida Departments of Otorhinolaryngology and Audiology. Participants formed a convenience sample recruited for a separate study. Neurotologist diagnosis was the criterion for comparisons. Of the 251 patient files retained for analysis, 191 had one or more targeted diseases and 60 had age- or noise-related hearing loss. Food and Drug Administration red flags sensitivity was 91% (confidence interval [CI], 86 to 95%) and specificity was 72% (CI, 59 to 83%). American Academy of Otolaryngology-Head and Neck Surgery red flags sensitivity was 98% (CI, 95 to 99%) and specificity was 20% (CI, 11 to 32%). Stakeholders must determine which diseases are meaningful contraindications for hearing aid use and whether these red-flag protocols have acceptable levels of sensitivity and specificity. As direct-to-consumer models of hearing devices increase, a disease detection method that does not require provider intercession would be useful.

  15. A metagenomic-based survey of microbial (de)halogenation potential in a German forest soil

    PubMed Central

    Weigold, Pascal; El-Hadidi, Mohamed; Ruecker, Alexander; Huson, Daniel H.; Scholten, Thomas; Jochmann, Maik; Kappler, Andreas; Behrens, Sebastian

    2016-01-01

    In soils halogens (fluorine, chlorine, bromine, iodine) are cycled through the transformation of inorganic halides into organohalogen compounds and vice versa. There is evidence that these reactions are microbially driven but the key enzymes and groups of microorganisms involved are largely unknown. Our aim was to uncover the diversity, abundance and distribution of genes encoding for halogenating and dehalogenating enzymes in a German forest soil by shotgun metagenomic sequencing. Metagenomic libraries of three soil horizons revealed the presence of genera known to be involved in halogenation and dehalogenation processes such as Bradyrhizobium or Pseudomonas. We detected a so far unknown diversity of genes encoding for (de)halogenating enzymes in the soil metagenome including specific and unspecific halogenases as well as metabolic and cometabolic dehalogenases. Genes for non-heme, no-metal chloroperoxidases and haloalkane dehalogenases were the most abundant halogenase and dehalogenase genes, respectively. The high diversity and abundance of (de)halogenating enzymes suggests a strong microbial contribution to natural halogen cycling. This was also confirmed in microcosm experiments in which we quantified the biotic formation of chloroform and bromoform. Knowledge on microorganisms and genes that catalyze (de)halogenation reactions is critical because they are highly relevant to industrial biotechnologies and bioremediation applications. PMID:27353292

  16. Workers painting the Flag and Meatball on the VAB

    NASA Image and Video Library

    2007-01-03

    Elevated platforms are seen hanging in front of the NASA Logo on the side of Kennedy Space Center's Vehicle Assembly Building. Also in view on the east side of the building are platforms on the facility's large vertical doors. Workers, suspended on the platforms from the top of the 525-foot-high VAB, use rollers and brushes to do the painting. The flag and logo were last painted in 1998, honoring NASA's 40th anniversary. The flag spans an area 209 feet by 110 feet, or about 23, 437 square feet. Each stripe is 9 feet wide and each star is 6 feet in diameter. The logo, also known as the "meatball," measures 110 feet by 132 feet, or about 12,300 square feet.

  17. Density functional IR, Raman, and VCD spectra of halogen substituted β-lactams

    NASA Astrophysics Data System (ADS)

    Rode, Joanna E.; Dobrowolski, Jan Cz.

    2003-06-01

    Halogenoazetidinones are important as synthetic intermediates for preparation of halogen β-lactam (2-azetidinone) antibiotics and as building blocks for carbohydrates and amino acids. In this paper, we consider the influence of the halogen atom, substituted at the C4 position of the 2-azetidinone ring, on the geometry, IR, Raman, and vibrational circular dichroism spectra. The vibrational spectra were calculated for the chiral 4-( R)-X-2-azetidinone (X=F, Cl or Br) molecules at the B3PW91/aug-cc-pVTZ level. It was shown that the geometry of the molecules studied do not change much upon the change of the halogen atom. In case of the vibrational spectra, the position but even more the intensities depend strongly on the kind of halogen substituent.

  18. (U) A Gruneisen Equation of State for TPX. Application in FLAG

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fredenburg, David A.; Aslam, Tariq Dennis; Bennett, Langdon Stanford

    2015-11-02

    A Gruneisen equation of state (EOS) is developed for the polymer TPX (poly 4-methyl-1-pentene) within the LANL hydrocode FLAG. Experimental shock Hugoniot data for TPX is fit to a form of the Gruneisen EOS, and the necessary parameters for implementing the TPX EOS in FLAG are presented. The TPX EOS is further validated through one-dimensional simulations of recent double-shock experiments, and a comparison is made between the new Gruneisen EOS for TPX and the EOS representation for TPX used in the LANL Common Model.

  19. Divergent receiver responses to components of multimodal signals in two foot-flagging frog species.

    PubMed

    Preininger, Doris; Boeckle, Markus; Sztatecsny, Marc; Hödl, Walter

    2013-01-01

    Multimodal communication of acoustic and visual signals serves a vital role in the mating system of anuran amphibians. To understand signal evolution and function in multimodal signal design it is critical to test receiver responses to unimodal signal components versus multimodal composite signals. We investigated two anuran species displaying a conspicuous foot-flagging behavior in addition to or in combination with advertisement calls while announcing their signaling sites to conspecifics. To investigate the conspicuousness of the foot-flagging signals, we measured and compared spectral reflectance of foot webbings of Micrixalus saxicola and Staurois parvus using a spectrophotometer. We performed behavioral field experiments using a model frog including an extendable leg combined with acoustic playbacks to test receiver responses to acoustic, visual and combined audio-visual stimuli. Our results indicated that the foot webbings of S. parvus achieved a 13 times higher contrast against their visual background than feet of M. saxicola. The main response to all experimental stimuli in S. parvus was foot flagging, whereas M. saxicola responded primarily with calls but never foot flagged. Together these across-species differences suggest that in S. parvus foot-flagging behavior is applied as a salient and frequently used communicative signal during agonistic behavior, whereas we propose it constitutes an evolutionary nascent state in ritualization of the current fighting behavior in M. saxicola.

  20. Energy Harvesting for Micropower Applications by Flow-Induced Flutter of an Inverted Piezoelectric Flag

    NASA Astrophysics Data System (ADS)

    Shoele, Kourosh; Mittal, Rajat

    2015-11-01

    Piezoelectric flexible flags can be used to continuously generate energy for small-scale sensor used in a wide variety of applications ranging from measurement/monitoring of environmental conditions (outdoors or indoors) to in-situ tracking of wild animals. Here, we study the energy harvesting performance as well as the flow-structure interaction of an inverted piezoelectric flag. We use a coupled fluid-structure-electric solver to examine the dynamic response of the inverted flag as well as the associated vortical characteristics with different inertia and bending stiffness. Simulations indicate that large amplitude vibrations can be achieved over a large range of parameters over which lock-on between the flag flutter and the intrinsic wake shedding occurs. The effects of initial inclination of the flag to the prevailing flow as well as Reynolds number of the flow are explored, and the effect of piezoelectric material parameters on the energy harvesting performance of this flutter state is examined in detail. The maximum energy efficiency occurs when there is a match between the intrinsic timescales of flutter and the piezoelectric circuit. The simulations are used to formulate a scaling law that could be used to predict the energy harvesting performance of such devices. The support for this study comes from AFSOR, NSF, EPRI and Johns Hopkins E2SHI Seed Grant.

  1. Halogenated Natural Products in Dolphins: Brain-Blubber Distribution and Comparison with Halogenated Flame Retardants.

    PubMed

    Barón, E; Hauler, C; Gallistl, C; Giménez, J; Gauffier, P; Castillo, J J; Fernández-Maldonado, C; de Stephanis, R; Vetter, W; Eljarrat, E; Barceló, D

    2015-08-04

    Halogenated natural products (MHC-1, TriBHD, TetraBHD, MeO-PBDEs, Q1, and related PMBPs) and halogenated flame retardants (PBDEs, HBB, Dec 602, Dec 603, and DP) in blubber and brain are reported from five Alboran Sea delphinids (Spain). Both HNPs and HFRs were detected in brain, implying that they are able to surpass the blood-brain barrier and reach the brain, which represents a new finding for some compounds, such as Q1 and PMBPs, MHC-1, TriBHD, TetraBHD, or Dec 603. Moreover, some compounds (TetraBHD, BDE-153, or HBB) presented higher levels in brain than in blubber. This study evidence the high concentrations of HNPs in the marine environment, especially in top predators. It shows the importance of further monitoring these natural compounds and evaluating their potential toxicity, when most studies focus on anthropogenic compounds only. While no bioaccumulation was found for ∑HNPs, ∑HFRs increased significantly with body size for both common and striped dolphins. Studies evaluating BBB permeation mechanisms of these compounds together with their potential neurotoxic effects in dolphins are recommended.

  2. Mechanisms of flag-football injuries reported to the HQ Air Force Safety Center a 10-year descriptive study, 1993-2002.

    PubMed

    Burnham, Bruce R; Copley, G Bruce; Shim, Matthew J; Kemp, Philip A; Jones, Bruce H

    2010-01-01

    Flag (touch or intramural) football is a popular sport among the U.S. Air Force (USAF) active duty population and causes a substantial number of lost-workday injuries. The purpose of this study is to describe the mechanisms of flag-football injuries to better identify effective countermeasures. The data were derived from safety reports obtained from the USAF Ground Safety Automated System. Flag-football injuries for the years 1993-2002 that resulted in at least one lost workday were included in the study conducted in 2003. Narrative data were systematically reviewed for 32,812 USAF mishap reports; these were then coded in order to categorize and summarize mechanisms associated with flag football and other sports and occupational injuries. Nine hundred and forty-four mishap reports involving active duty USAF members playing flag football met the criteria for inclusion into this study. Eight mechanisms of injury were identified. The eight mechanisms accounted for 90% of all flag-football injuries. One scenario (contact with another player) accounted for 42% of all flag-football injuries. The most common mechanisms of injury caused by playing flag football can be identified using the detailed information found in safety reports. These scenarios are essential to developing evidence-based countermeasures. Results for flag football suggest that interventions that prevent player contact injuries deserve further research and evaluation. The broader implications of this study are that military safety data can be used to identify potentially modifiable mechanisms of injury for specific activities such as flag football. Published by Elsevier Inc.

  3. Field Evidence of Social Influence in the Expression of Political Preferences: The Case of Secessionists Flags in Barcelona

    PubMed Central

    Parravano, Antonio; Noguera, José A.; Hermida, Paula; Tena-Sánchez, Jordi

    2015-01-01

    Models of social influence have explored the dynamics of social contagion, imitation, and diffusion of different types of traits, opinions, and conducts. However, few behavioral data indicating social influence dynamics have been obtained from direct observation in “natural” social contexts. The present research provides that kind of evidence in the case of the public expression of political preferences in the city of Barcelona, where thousands of citizens supporting the secession of Catalonia from Spain have placed a Catalan flag in their balconies and windows. Here we present two different studies. 1) During July 2013 we registered the number of flags in 26% of the electoral districts in the city of Barcelona. We find that there is a large dispersion in the density of flags in districts with similar density of pro-independence voters. However, by comparing the moving average to the global mean we find that the density of flags tends to be fostered in electoral districts where there is a clear majority of pro-independence vote, while it is inhibited in the opposite cases. We also show that the distribution of flags in the observed districts deviates significantly from that of an equivalent random distribution. 2) During 17 days around Catalonia’s 2013 national holiday we observed the position at balcony resolution of the flags displayed in the facades of a sub-sample of 82 blocks. We compare the ‘clustering index’ of flags on the facades observed each day to thousands of equivalent random distributions. Again we provide evidence that successive hangings of flags are not independent events but that a local influence mechanism is favoring their clustering. We also find that except for the national holiday day the density of flags tends to be fostered in facades located in electoral districts where there is a clear majority of pro-independence vote. PMID:25961562

  4. Sorption of halogenated phenols and pharmaceuticals to biochar: affecting factors and mechanisms.

    PubMed

    Oh, Seok-Young; Seo, Yong-Deuk

    2016-01-01

    The feasibility of using biochar as a sorbent to remove nine halogenated phenols (2,4-dichlorophenol, 2,4-dibromophenol, 2,4-difluorophenol, 2-chlorophenol, 4-chlorophenol, 2-bromophenol, 4-bromophenol, 2-fluorophenol, and 4-fluorophenol) and two pharmaceuticals (triclosan and ibuprofen) from water was examined through a series of batch experiments. Types of biochar, synthesized using various biomasses including fallen leaves, rice straw, corn stalk, used coffee grounds, and biosolids, were evaluated. Compared to granular activated carbon (GAC), most of the biochar samples did not effectively remove halogenated phenols or pharmaceuticals from water. The increase in pH and deprotonation of phenols in biochar systems may be responsible for its ineffectiveness at this task. When pH was maintained at 4 or 7, the sorption capacity of biochar was markedly increased. Considering maximum sorption capacity and properties of sorbents and sorbates, it appears that the sorption capacity of biochar for halogenated phenols is related to the surface area and carbon content of the biochar and the hydrophobicity of halogenated phenols. In the cases of triclosan and ibuprofen, the sorptive capacities of GAC, graphite, and biochars were also significantly affected by pH, according to the point of zero charge (PZC) of sorbents and deprotonation of the pharmaceuticals. Pyrolysis temperature did not affect the sorption capacity of halogenated phenols or pharmaceuticals. Based on the experimental observations, some biochars are good candidates for removal of halogenated phenols, triclosan, and ibuprofen from water and soil.

  5. The epidemiology of injuries in contact flag football.

    PubMed

    Kaplan, Yonatan; Myklebust, Grethe; Nyska, Meir; Palmanovich, Ezequiel; Victor, Jan; Witvrouw, Erik

    2013-01-01

    To characterize the epidemiology of injuries in post-high school male and female athletes in the rapidly growing international sport of contact flag football. Prospective injury-observational study. Kraft Stadium, Jerusalem, Israel. A total of 1492 players, consisting of men (n = 1252, mean age, 20.49 ± 5.11) and women (n = 240, mean age, 21.32 ± 8.95 years), participated in 1028 games over a 2-season period (2007-2009). All time-loss injuries sustained in game sessions were recorded by the off-the-field medical personnel and followed up by a more detailed phone injury surveillance questionnaire. One hundred sixty-three injuries were reported, comprising 1 533 776 athletic exposures (AEs). The incidence rate was 0.11 [95% confidence interval (CI), 0.09-0.12] per 1000 AEs, and incidence proportion was 10.66% (95% CI, 9.10-12.22). Seventy-six percent of the injuries were extrinsic in nature. Thirty percent of the injuries were to the fingers, thumb, and wrist, 17% to the knee, 17% to the head/face, 13% to the ankle, and 11% to the shoulder. Contact flag football results in a significant amount of moderate to severe injuries. These data may be used in the development of a formal American flag football injury database and in the development and implementation of a high-quality, randomized, prospective injury prevention study. This study should include the enforcement of the no-pocket rule, appropriate headgear, self-fitting mouth guards, the use of ankle braces, and changing the blocking rules of the game.

  6. Temporal dynamics of halogenated organic compounds in Marcellus Shale flowback.

    PubMed

    Luek, Jenna L; Harir, Mourad; Schmitt-Kopplin, Philippe; Mouser, Paula J; Gonsior, Michael

    2018-06-01

    The chemistry of hydraulic fracturing fluids and wastewaters is complex and is known to vary by operator, geologic formation, and fluid age. A time series of hydraulic fracturing fluids, flowback fluids, and produced waters was collected from two adjacent Marcellus Shale gas wells for organic chemical composition analyses using ultrahigh resolution mass spectrometry. Hierarchical clustering was used to compare and extract ions related to different fluid ages and many halogenated organic molecular ions were identified in flowback fluids and early produced waters based on exact mass. Iodinated organic compounds were the dominant halogen class in these clusters and were nearly undetectable in hydraulic fracturing fluid prior to injection. The iodinated ions increased in flowback and remained elevated after ten months of well production. We suggest that these trends are mainly driven by dissolved organic matter reacting with reactive halogen species formed abiotically through oxidizing chemical additives applied to the well and biotically via iodide-oxidizing bacteria. Understanding the implications of these identified halogenated organic compounds will require future investigation in to their structures and environmental fate. Copyright © 2018 Elsevier Ltd. All rights reserved.

  7. 6. ADMINISTRATION BUILDING WITH FLAG POLE, LOOKING SOUTH. NIKE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. ADMINISTRATION BUILDING WITH FLAG POLE, LOOKING SOUTH. - NIKE Missile Base SL-40, Administration Building, East central portion of base, southeast of Mess Hall, northeast of HIPAR Equipment Building, Hecker, Monroe County, IL

  8. Cross-reactivity of Halogenated Platinum Salts

    EPA Science Inventory

    Halogenated platinum (Pt) salts are well-known respiratory sensitizers associated with the development of asthma. People may be exposed to a variety of platinum compounds in different contexts (e.g. occupationally, automobile exhaust). Published reports suggest that sensitizati...

  9. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOEpatents

    Googin, John M.; Napier, John M.; Travaglini, Michael A.

    1983-01-01

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced.

  10. Dynamic Black-Level Correction and Artifact Flagging in the Kepler Data Pipeline

    NASA Technical Reports Server (NTRS)

    Clarke, B. D.; Kolodziejczak, J. J.; Caldwell, D. A.

    2013-01-01

    Instrument-induced artifacts in the raw Kepler pixel data include time-varying crosstalk from the fine guidance sensor (FGS) clock signals, manifestations of drifting moiré pattern as locally correlated nonstationary noise and rolling bands in the images which find their way into the calibrated pixel time series and ultimately into the calibrated target flux time series. Using a combination of raw science pixel data, full frame images, reverse-clocked pixel data and ancillary temperature data the Keplerpipeline models and removes the FGS crosstalk artifacts by dynamically adjusting the black level correction. By examining the residuals to the model fits, the pipeline detects and flags spatial regions and time intervals of strong time-varying blacklevel (rolling bands ) on a per row per cadence basis. These flags are made available to downstream users of the data since the uncorrected rolling band artifacts could complicate processing or lead to misinterpretation of instrument behavior as stellar. This model fitting and artifact flagging is performed within the new stand-alone pipeline model called Dynablack. We discuss the implementation of Dynablack in the Kepler data pipeline and present results regarding the improvement in calibrated pixels and the expected improvement in cotrending performances as a result of including FGS corrections in the calibration. We also discuss the effectiveness of the rolling band flagging for downstream users and illustrate with some affected light curves.

  11. Purification of FLAG-tagged Secreted Proteins from Mammalian Cells

    PubMed Central

    Itakura, Eisuke; Chen, Changchun; de Bono, Mario

    2017-01-01

    This protocol describes a method for purifying glycosylated FLAG-tagged secreted proteins with disulfide bonds from mammalian cells. The purified products can be used for various applications, such as ligand binding assays. PMID:29075655

  12. Loss of halogens from crystallized and glassy silicic volcanic rocks

    USGS Publications Warehouse

    Noble, D.C.; Smith, V.C.; Peck, L.C.

    1967-01-01

    One hundred and sixty-four F and Cl analyses of silicic welded tuffs and lavas and glass separates are presented. Comparison of the F and Cl contents of crystallized rocks with those of nonhydrated glass and hydrated glassy rocks from the same rock units shows that most of the halogens originally present were lost on crystallization. An average of about half of the F and four-fifths of the Cl originally present was lost. Analyses of hydrated natural glasses and of glassy rocks indicate that in some cases significant amounts of halogens may be removed from or added to hydrated glass through prolonged contact with ground water. The data show that the original halogen contents of the groundmass of a silicic volcanic rock can be reliably determined only from nonhydrated glass. ?? 1967.

  13. Infinite flag varieties and conjugacy theorems

    PubMed Central

    Peterson, Dale H.; Kac, Victor G.

    1983-01-01

    We study the orbit of a highest-weight vector in an integrable highest-weight module of the group G associated to a Kac-Moody algebra [unk](A). We obtain applications to the geometric structure of the associated flag varieties and to the algebraic structure of [unk](A). In particular, we prove conjugacy theorems for Cartan and Borel subalgebras of [unk](A), so that the Cartan matrix A is an invariant of [unk](A). PMID:16593298

  14. Generation and characterization of a human-mouse chimeric high-affinity antibody that detects the DYKDDDDK FLAG peptide.

    PubMed

    Ikeda, Koki; Koga, Tomoaki; Sasaki, Fumiyuki; Ueno, Ayumi; Saeki, Kazuko; Okuno, Toshiaki; Yokomizo, Takehiko

    2017-05-13

    DYKDDDDK peptide (FLAG) is a useful tool for investigating the function and localization of proteins whose antibodies (Abs) are not available. We recently established a high-affinity monoclonal antibody (mAb) for FLAG (clone 2H8). The 2H8 Ab is highly sensitive for detecting FLAG-tagged proteins by flowcytometry and immunoprecipitation, but it can yield nonspecific signals in immunohistochemistry of mouse tissues because it is of mouse origin. In this study, we reduced nonspecific signals by generating a chimeric 2H8 Ab with Fc fragments derived from human immunoglobulin. We fused a 5' terminal cDNA fragments for the Fab region of 2H8 mAb with 3' terminal cDNA fragments for Fc region of human IgG1. We transfected both chimeric plasmids and purified the resulting human-mouse chimeric 2H8. The chimeric 2H8 Ab successfully detected FLAG-tagged proteins in flowcytometry with anti-human IgG secondary Ab with comparable sensitivity to 2H8 mAb. Importantly, chimeric 2H8 detected specific FLAG peptide signals without nonspecific signals in immunohistochemical analysis with mouse tissues. This human-mouse chimeric high-affinity anti-FLAG Ab will prove useful for future immunohistochemical analysis of mouse tissues. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Predicting and controlling risks from human exposures to vibration and mechanical shock: flag waving and flag weaving.

    PubMed

    Griffin, Michael J

    2015-01-01

    At work or in leisure activities, many people are exposed to vibration or mechanical shocks associated with risks of injury or disease. This paper identifies information that can be used to decide whether there may be a risk from exposure to hand-transmitted vibration or whole-body vibration and shock, and suggests actions that can control the risks. The complex and time-varying nature of human exposures to vibration and shock, the complexity of the different disorders and uncertainty as to the mechanisms of injury and the factors influencing injury have prevented the definition of dose-response relationships well proven by scientific study. It is necessary to wave a flag indicating when there is a need to control risks from exposure to vibration and shock while scientific enquiry provides understanding needed to weave a better flag. It is concluded that quantifying exposure severity is often neither necessary nor sufficient to either identify risks or implement measures that control the risks. The identification of risks associated with exposure to vibration and mechanical shock cannot, and need not, rely solely on the quantification of exposure severity. Qualitative methods can provide a sufficient indication of the need for control measures, which should not be restricted to reducing standardised measures of exposure severity.

  16. 14 CFR 121.601 - Aircraft dispatcher information to pilot in command: Domestic and flag operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... command: Domestic and flag operations. 121.601 Section 121.601 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.601 Aircraft dispatcher information to pilot in command: Domestic and flag operations. (a) The aircraft dispatcher shall provide the pilot in command all available current reports or...

  17. 14 CFR 121.601 - Aircraft dispatcher information to pilot in command: Domestic and flag operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... command: Domestic and flag operations. 121.601 Section 121.601 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.601 Aircraft dispatcher information to pilot in command: Domestic and flag operations. (a) The aircraft dispatcher shall provide the pilot in command all available current reports or...

  18. 14 CFR 121.601 - Aircraft dispatcher information to pilot in command: Domestic and flag operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... command: Domestic and flag operations. 121.601 Section 121.601 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.601 Aircraft dispatcher information to pilot in command: Domestic and flag operations. (a) The aircraft dispatcher shall provide the pilot in command all available current reports or...

  19. 14 CFR 121.601 - Aircraft dispatcher information to pilot in command: Domestic and flag operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... command: Domestic and flag operations. 121.601 Section 121.601 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.601 Aircraft dispatcher information to pilot in command: Domestic and flag operations. (a) The aircraft dispatcher shall provide the pilot in command all available current reports or...

  20. 14 CFR 121.601 - Aircraft dispatcher information to pilot in command: Domestic and flag operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... command: Domestic and flag operations. 121.601 Section 121.601 Aeronautics and Space FEDERAL AVIATION... Flight Release Rules § 121.601 Aircraft dispatcher information to pilot in command: Domestic and flag operations. (a) The aircraft dispatcher shall provide the pilot in command all available current reports or...

  1. A Survey of Electron Impact Cross-Sections for Halogens and Halogen Compounds of Interest to Plasma Processing

    NASA Technical Reports Server (NTRS)

    Sharma, S. P.; Rao, M. V. V. S.; Arnold, James O. (Technical Monitor)

    1998-01-01

    Published electron impact cross section data on halogens Cl2, F2, and halogen containing compounds such as Cx Fy, HCl, Cx Cly Fz are reviewed and critically evaluated based on the information provided by various researchers. The present work reports data on electron impact excitation, ionization, dissociation, electron attachment, electron detachment, and photo detachment. Elastic scattering cross sections and data on bulk properties such as diffusion coefficients in various background gases are also evaluated. Since some of the cross sectional data is derived from indirect measurements such as drift velocity, care has been taken to reconcile the differences among the reported data with due attention to the measurement technique. In conclusion, the processes with no or very limited amount of data and questionable set of data are identified and recommendation for further research direction is made.

  2. Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?

    PubMed Central

    2017-01-01

    Halogens are present in a significant number of drugs, contributing favorably to ligand–protein binding. Currently, the contribution of halogens, most notably chlorine and bromine, is largely attributed to halogen bonds involving favorable interactions with hydrogen bond acceptors. However, we show that halogens acting as hydrogen bond acceptors potentially make a more favorable contribution to ligand binding than halogen bonds based on quantum mechanical calculations. In addition, bioinformatics analysis of ligand–protein crystal structures shows the presence of significant numbers of such interactions. It is shown that interactions between halogens and hydrogen bond donors (HBDs) are dominated by perpendicular C–X···HBD orientations. Notably, the orientation dependence of the halogen–HBD (X–HBD) interactions is minimal over greater than 100° with favorable interaction energies ranging from −2 to −14 kcal/mol. This contrasts halogen bonds in that X–HBD interactions are substantially more favorable, being comparable to canonical hydrogen bonds, with a smaller orientation dependence, such that they make significant, favorable contributions to ligand–protein binding and, therefore, should be actively considered during rational ligand design. PMID:28657759

  3. Halogen degassing during ascent and eruption of water-poor basaltic magma

    USGS Publications Warehouse

    Edmonds, M.; Gerlach, T.M.; Herd, Richard A.

    2009-01-01

    A study of volcanic gas composition and matrix glass volatile concentrations has allowed a model for halogen degassing to be formulated for K??lauea Volcano, Hawai'i. Volcanic gases emitted during 2004-2005 were characterised by a molar SO2/HCl of 10-64, with a mean of 33; and a molar HF/HCl of 0-5, with a mean of 1.0 (from approximately 2500 measurements). The HF/HCl ratio was more variable than the SO2/HCl ratio, and the two correlate weakly. Variations in ratio took place over rapid timescales (seconds). Matrix glasses of Pele's tears erupted in 2006 have a mean S, Cl and F content of 67, 85 and 173??ppm respectively, but are associated with a large range in S/F. A model is developed that describes the open system degassing of halogens from parental magmas, using the glass data from this study, previously published results and parameterisation of sulphur degassing from previous work. The results illustrate that halogen degassing takes place at pressures of < 1??MPa, equivalent to < ~ 35??m in the conduit. Fluid-melt partition coefficients for Cl and F are low (< 1.5); F only degasses appreciably at < 0.1??MPa above atmospheric pressure, virtually at the top of the magma column. This model reproduces the volcanic gas data and other observations of volcanic activity well and is consistent with other studies of halogen degassing from basaltic magmas. The model suggests that variation in volcanic gas halogen ratios is caused by exsolution and gas-melt separation at low pressures in the conduit. There is no evidence that either diffusive fractionation or near-vent chemical reactions involving halogens is important in the system, although these processes cannot be ruled out. The fluxes of HCl and HF from K??lauea during 2004-5 were ~ 25 and 12??t/d respectively. ?? 2008 Elsevier B.V.

  4. Estrogenicity of halogenated bisphenol A: in vitro and in silico investigations.

    PubMed

    Zhang, Jie; Li, Tiezhu; Wang, Tuoyi; Yuan, Cuiping; Zhong, Shuning; Guan, Tianzhu; Li, Zhuolin; Wang, Yongzhi; Yu, Hansong; Luo, Quan; Wang, Yongjun; Zhang, Tiehua

    2018-03-01

    The binding interactions of bisphenol A (BPA) and its halogenated derivatives (halogenated BPAs) to human estrogen receptor α ligand binding domain (hERα-LBD) was investigated using a combined in vitro and in silico approach. First, the recombinant hERα-LBD was prepared as a soluble protein in Escherichia coli BL21(DE3)pLysS. A native fluorescent phytoestrogen, coumestrol, was employed as tracer for the fluorescence polarization assay. The results of the in vitro binding assay showed that bisphenol compounds could bind to hERα-LBD as the affinity ligands. All the tested halogenated BPAs exhibited weaker receptor binding than BPA, which might be explained by the steric effect of substituents. Molecular docking studies elucidated that the halogenated BPAs adopted different conformations in the flexible hydrophobic ligand binding pocket (LBP), which is mainly dependent on their distinct halogenation patterns. The compounds with halogen substituents on the phenolic rings and on the bridging alkyl moiety acted as agonists and antagonists for hERα, respectively. Interestingly, all the compounds in the agonist conformation of hERα formed a hydrogen bond with His524, while the compounds in the antagonist conformation formed a hydrogen bond with Thr347. These docking results suggested a pivotal role of His524/Thr347 in maintaining the hERα structure in the biologically active agonist/antagonist conformation. Comparison of the calculated binding energies vs. experimental binding affinities yielded a good correlation, which might be applicable for the structure-based design of novel bisphenol compounds with reduced toxicities and for environmental risk assessment. In addition, based on hERα-LBD as a recognition element, the proposed fluorescence polarization assay may offer an alternative to chromatographic techniques for the multi-residue determination of bisphenol compounds.

  5. Evaluating the potential for halogen bonding in ketosteroid isomerase’s oxyanion hole using unnatural amino acid mutagenesis

    PubMed Central

    Kraut, Daniel A; Churchil, Michael J; Dawson, Phillip E

    2009-01-01

    There has recently been an increasing interest in controlling macromolecular conformations and interactions through halogen bonding. Halogen bonds are favorable electrostatic interactions between polarized, electropositive chlorine, bromine or iodine atoms and electronegative atoms such as oxygen or nitrogen. These interactions have been likened to hydrogen bonds both in terms of their favored acceptor molecules, their geometries, and their energetics. We asked whether a halogen bond could replace a hydrogen bond in the oxyanion hole of ketosteroid isomerase, using semi-synthetic enzyme containing para-halogenated phenylalanine derivatives to replace the tyrosine hydrogen bond donor. Formation of a halogen bond to the oxyanion in the transition state would be expected to rescue the effects of mutation to phenylalanine, but all of the halogenated enzymes were comparable in activity to the phenylalanine mutant. We conclude that, at least in this active site, a halogen bond cannot functionally replace a hydrogen bond. PMID:19260691

  6. Synthesis and photophysical properties of halogenated derivatives of (dibenzoylmethanato)boron difluoride

    NASA Astrophysics Data System (ADS)

    Kononevich, Yuriy N.; Surin, Nikolay M.; Sazhnikov, Viacheslav A.; Svidchenko, Evgeniya A.; Aristarkhov, Vladimir M.; Safonov, Andrei A.; Bagaturyants, Alexander A.; Alfimov, Mikhail V.; Muzafarov, Aziz M.

    2017-03-01

    A series of (dibenzoylmethanato)boron difluoride (BF2DBM) derivatives with a halogen atom in one of the phenyl rings at the para-position were synthesized and used to elucidate the effects of changing the attached halogen atom on the photophysical properties of BF2DBM. The room-temperature absorption and fluorescence maxima of fluoro-, chloro-, bromo- and iodo-substituted derivatives of BF2DBM in THF are red-shifted by about 2-10 nm relative to the corresponding peaks of the parent BF2DBM. The fluorescence quantum yields of the halogenated BF2DBMs (except the iodinated derivative) are larger than that of the unsubstituted BF2DBM. All the synthesized compounds are able to form fluorescent exciplexes with benzene and toluene (emission maxima at λem = 433 and 445 nm, respectively). The conformational structure and electronic spectral properties of halogenated BF2DBMs have been modeled by DFT/TDDFT calculations at the PBE0/SVP level of theory. The structure and fluorescence spectra of exciplexes were calculated using the CIS method with empirical dispersion correction.

  7. Viking Lander 1's U.S. Flag on Mars Surface

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The flag of the United States with the rocky Martian surface in the background is seen in this color picture taken on the sixth day of Viking Lander 1 on Mars (July 26). The flag is on the RTG (Radioisotope Thermoelectric Generator) wind screen. Below the flag is the bicentennial logo and the Viking symbol which shows an ancient Viking ship. This Viking symbol was designed by Peter Purol of Baltimore, winner of the Viking logo contest open to high school science students. To the right is the Reference Test Chart used for color balancing of the color images. At the bottom is the GCMS Processor Distribution Assembly with the wind screens unfurled demonstrating that the GCMS cover was deployed properly. The scene in the background is looking almost due west on Mars. The lighter zone at the far horizon is about 3 km (nearly 2 miles) from the Lander. The darker line below this is a hill crest much closer to the Lander (about 200 m or about 650 feet). The picture was taken at local Mars Time of 7:18 A.M., hence the relatively dark sky and the far horizon illuminated by the sun just rising behind the Lander.

  8. Red flags: a case series of clinician-family communication challenges in the context of CHD.

    PubMed

    Sekar, Priya; Marcus, Katie L; Williams, Erin P; Boss, Renee D

    2017-07-01

    We describe three cases of newborns with complex CHD characterised by communication challenges. These communication challenges were categorised as patient, family, or system-related red flags. Strategies for addressing these red flags were proposed, for the goal of optimising care and improving quality of life in this vulnerable population.

  9. A Review of Hydrogen/Halogen Flow Cells

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Cho, Kyu Taek; Tucker, Michael C.; Weber, Adam Z.

    Flow batteries provide an energy-storage solution for various grid-related stability and service issues that arise as renewable-energy-generation technologies are adopted. Among the most promising flow-battery systems are those using hydrogen/halogen redox couples, which promise the possibility of meeting the cost target of the US Department of Energy (DOE), due to their fast and reversible kinetics and low materials cost. However, significant critical issues and barriers for their adoption remain. In this review of halogen/hydrogen systems, technical and performance issues, and research and development progress are reviewed. The information in this review can be used as a technical guide for researchmore » and development of related redox-flow-battery systems and other electrochemical technologies.« less

  10. Method and apparatus for detecting halogenated hydrocarbons

    DOEpatents

    Monagle, Matthew; Coogan, John J.

    1997-01-01

    A halogenated hydrocarbon (HHC) detector is formed from a silent discharge (also called a dielectric barrier discharge) plasma generator. A silent discharge plasma device receives a gas sample that may contain one or more HHCs and produces free radicals and excited electrons for oxidizing the HHCs in the gas sample to produce water, carbon dioxide, and an acid including halogens in the HHCs. A detector is used to sensitively detect the presence of the acid. A conductivity cell detector combines the oxidation products with a solvent where dissociation of the acid increases the conductivity of the solvent. The conductivity cell output signal is then functionally related to the presence of HHCs in the gas sample. Other detectors include electrochemical cells, infrared spectrometers, and negative ion mobility spectrometers.

  11. A Review of Hydrogen/Halogen Flow Cells

    DOE PAGES

    Cho, Kyu Taek; Tucker, Michael C.; Weber, Adam Z.

    2016-05-17

    Flow batteries provide an energy-storage solution for various grid-related stability and service issues that arise as renewable-energy-generation technologies are adopted. Among the most promising flow-battery systems are those using hydrogen/halogen redox couples, which promise the possibility of meeting the cost target of the US Department of Energy (DOE), due to their fast and reversible kinetics and low materials cost. However, significant critical issues and barriers for their adoption remain. In this review of halogen/hydrogen systems, technical and performance issues, and research and development progress are reviewed. The information in this review can be used as a technical guide for researchmore » and development of related redox-flow-battery systems and other electrochemical technologies.« less

  12. Halogens, Barium and Uranium in Mantle Fluid Inclusions

    NASA Astrophysics Data System (ADS)

    Villa, I. M.; Peverelli, V.; Oglialoro, E.; Pettke, D. T.; Frezzotti, M. L.

    2016-12-01

    Halogens are an underexplored geochemical marker. A way to measure halogens at ng/g levels is measuring Ar, Kr and Xe in irradiated samples [1,2]. We derive absolute halogen amounts from rare gas amounts via scapolite monitor SY [2]. Kr-Xe systematics also yield Ba and U concentrations. We combined irradiation with stepheating on carbonate-sulfate-rich fluid inclusions (FI)-bearing xe­no­liths from El Hierro, Canarias: spinel harzburgite XML-7 and spinel dunite XML-1 [3]. Three components are recognized in the rare gas release. (1) Atmospheric surface contamination occurs up to 1000 °C. (2) FI decrepitation by laboratory heating occurs above 1200 °C [4], corresponding to the release of 80,82Kr and 128Xe in the 1200 and 1400 °C steps. Br whole-rock concentrations are 3-8 ng/g; the molar Br/Cl and I/Cl ratios in the harzburgite FI, 9 E-4 resp. 2 E-4, are identical to those in the dunite FI. This sets the halogens in our FI apart from MORB [2]. Halogen-derived rare gases are closely associated to artificial 131Xe from Ba; Ba has a high affinity of for CO2-rich fluids. Daughter minerals in multiphase FI were identified by Raman micro­spectroscopy [4]. The calculated Ba concentrations are 2-6 µg/g. (3) The third component is U-derived 134,136Xe and 86Kr released in a spike at 1000 °C, decoupled from FI. This requires a different carrier than FI, e.g. Ti oxides. As U concentrations are 10-20 pg/g, the U-bearing phase needs to be below a ppm, invisible by petro­graphy. The 136Xe/134Xe ratio > 1 suggests retention of radio­genic Xe. However, analysis of an unirradiated sample detected no radiogenic Xe. It is likely that Xe-U produced in the core of the McMaster reactor (thermal, epithermal and fast neutrons) has a different isotopic composition from that in textbooks, as proposed by [2].[1] Jeffery & Reynolds (1961) J.Geophys. Res. 66, 3582 [2] Kendrick (2012) Chem. Geol. 292, 116 [3] Oglialoro et al (2015) AGU Fall Meeting abstract V21C-3046 [4] Roedder (1965

  13. Process for removing halogenated aliphatic and aromatic compounds from petroleum products

    DOEpatents

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1983-09-20

    A process is described for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contacting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible compound, such as, water or a polyhydroxy compound, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of water or polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the water or polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds and the low polar or nonpolar solvent are separated by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered from recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 1 fig.

  14. 79/81Br nuclear quadrupole resonance spectroscopic characterization of halogen bonds in supramolecular assemblies.

    PubMed

    Cerreia Vioglio, P; Szell, P M J; Chierotti, M R; Gobetto, R; Bryce, D L

    2018-05-28

    Despite the applicability of solid-state NMR to study the halogen bond, the direct NMR detection of 79/81 Br covalently bonded to carbon remains impractical due to extremely large spectral widths, even at ultra-high magnetic fields. In contrast, nuclear quadrupole resonance (NQR) offers comparatively sharp resonances. Here, we demonstrate the abilities of 79/81 Br NQR to characterize the electronic changes in the C-Br···N halogen bonding motifs found in supramolecular assemblies constructed from 1,4-dibromotetrafluorobenzene and nitrogen-containing heterocycles. An increase in the bromine quadrupolar coupling constant is observed, which correlates linearly with the halogen bond distance ( d Br···N ). Notably, 79/81 Br NQR is able to distinguish between two symmetry-independent halogen bonds in the same crystal structure. This approach offers a rapid and reliable indication for the occurrence of a halogen bond, with experimental times limited only by the observation of 79/81 Br NQR resonances.

  15. Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation.

    PubMed

    Cotrina, Ellen Y; Pinto, Marta; Bosch, Lluís; Vilà, Marta; Blasi, Daniel; Quintana, Jordi; Centeno, Nuria B; Arsequell, Gemma; Planas, Antoni; Valencia, Gregorio

    2013-11-27

    The amyloidogenic protein transthyretin (TTR) is thought to aggregate into amyloid fibrils by tetramer dissociation which can be inhibited by a number of small molecule compounds. Our analysis of a series of crystallographic protein-inhibitor complexes has shown no clear correlation between the observed molecular interactions and the in vitro activity of the inhibitors. From this analysis, it emerged that halogen bonding (XB) could be mediating some key interactions. Analysis of the halogenated derivatives of two well-known TTR inhibitors has shown that while flufenamic acid affinity for TTR was unchanged by halogenation, diflunisal gradually improves binding up to 1 order of magnitude after iodination through interactions that can be interpreted as a suboptimal XB (carbonyl Thr106: I...O distance 3.96-4.05 Å; C-I...O angle 152-156°) or as rather optimized van der Waals contacts or as a mixture of both. These results illustrate the potential of halogenation strategies in designing and optimizing TTR fibrillogenesis inhibitors.

  16. The Impact of Flagging on the Admission Process.

    ERIC Educational Resources Information Center

    Cahalan-Laitusis, Cara; Mandinach, Ellen B.; Camara, Wayne J.

    2003-01-01

    Study explored issues surrounding flagging test scores taken under non-standard conditions and how the admission process could better serve students with disabilities. Respondents to survey felt current system was not adequately serving subgroups of students, believing some non-disabled students were manipulating the system to gain an advantage on…

  17. Partial separation of halogens during the subduction of oceanic crust

    NASA Astrophysics Data System (ADS)

    Joachim, Bastian; Pawley, Alison; Lyon, Ian; Henkel, Torsten; Clay, Patricia L.; Ruzié, Lorraine; Burgess, Ray; Ballentine, Christopher J.

    2014-05-01

    Incompatible elements, such as halogens, have the potential to act as key tracers for volatile transport processes in Earth and planetary systems. The determination of halogen abundances and ratios in different mantle reservoirs gives us the ability to better understand volatile input mechanisms into the Earth's mantle through subduction of oceanic crust. Halogen partition coefficients were experimentally determined between forsterite, orthopyroxene and silicate melt at pressures ranging from 1.0 to 2.3 GPa and temperatures ranging from 1500-1600°C, thus representing partial melting conditions of the Earth's mantle. Combining our data with results of recent studies (Beyer et al. 2012; Dalou et al. 2012) shows that halogen partitioning between forsterite and melt increases by factors of about 1000 (fluorine) and 100 (chlorine) between 1300°C and 1600°C and does not show any pressure dependence. Chlorine partitioning between orthopyroxene and melt increases by a factor of about 1500 for a temperature increase of 100°C (anywhere between 1300°C and 1600°C), but decreases by a factor of about 1500 for a pressure increase of 1.0 GPa (anywhere between 1.0 GPa and 2.5 GPa). At similar P-T conditions, a comparable effect is observed for the fluorine partitioning behaviour, which increases by 500-fold for a temperature increase of 100°C and decreases with increasing pressure. Halogen abundances in mid-ocean ridge basalts (MORB; F=3-15, Cl=0.5-14ppm) and ocean island basalts (OIB; F=35-65, Cl=21-55 ppm) source regions were estimated by combining our experimentally determined partition coefficients with natural halogen concentrations in oceanic basalts (e.g. Ruzié et al. 2012). The estimated chlorine OIB source mantle concentration is in almost perfect agreement with primitive mantle estimates (Palme and O'Neill 2003). If we expect an OIB source mantle slightly depleted in incompatible elements, this suggests that at least small amounts of chlorine are recycled deep

  18. 14 CFR 121.467 - Flight attendant duty period limitations and rest requirements: Domestic, flag, and supplemental...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... and rest requirements: Domestic, flag, and supplemental operations. 121.467 Section 121.467..., Flag, and Supplemental Operations § 121.467 Flight attendant duty period limitations and rest... attendant's home station, is not considered part of a rest period. (13) Each certificate holder conducting...

  19. Halogenated volatile organic compounds from the use of chlorine-bleach-containing household products.

    PubMed

    Odabasi, Mustafa

    2008-03-01

    Sodium hypochlorite (NaOCl) and many organic chemicals contained in household cleaning products may react to generate halogenated volatile organic compounds (VOCs). Halogenated VOC emissions from eight different chlorine bleach containing household products (pure and diluted) were investigated by headspace experiments. Chloroform and carbon tetrachloride were the leading compounds along with several halogenated compounds in the headspace of chlorine bleach products. One of the most surprising results was the presence of carbon tetrachloride (a probable human carcinogen and a powerful greenhouse gas that was banned for household use by the U.S. Food and Drug Administration) in very high concentrations (up to 101 mg m(-3)). By mixing surfactants or soap with NaOCl, it was shown that the formation of carbon tetrachloride and several other halogenated VOCs is possible. In addition to quantitatively determined halogenated VOCs (n = 15), several nitrogen-containing (n = 4), chlorinated (n = 10), oxygenated compounds (n = 22), and hydrocarbons (n = 14) were identified in the headspace of bleach products. Among these, 1,1-dichlorobutane and 2-chloro-2-nitropropane were the most abundant chlorinated VOCs, whereas trichloronitromethane and hexachloroethane were the most frequently detected ones. Indoor air halogenated VOC concentrations resulting from the use of four selected household products were also measured before, during, and 30 min after bathroom, kitchen, and floor cleaning applications. Chloroform (2.9-24.6 microg m(-3)) and carbon tetrachloride (0.25-459 microg m(-3)) concentrations significantly increased during the use of bleach containing products. During/ before concentration ratios ranged between 8 and 52 (25 +/- 14, average +/- SD) for chloroform and 1-1170 (146 +/- 367, average +/- SD) for carbon tetrachloride, respectively. These results indicated that the bleach use can be important in terms of inhalation exposure to carbon tetrachloride, chloroform and

  20. Interior detail of platform in main hall, with desk, flag, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Interior detail of platform in main hall, with desk, flag, and banners, facing south - International Longshoremen's & Warehousemen's Union Hall, Naval Civil Engineering Laboratory, Port Hueneme Road, Port Hueneme, Ventura County, CA

  1. The flagellar protein FLAG1/SMP1 is a candidate for Leishmania-sand fly interaction.

    PubMed

    Di-Blasi, Tatiana; Lobo, Amanda R; Nascimento, Luanda M; Córdova-Rojas, Jose L; Pestana, Karen; Marín-Villa, Marcel; Tempone, Antonio J; Telleria, Erich L; Ramalho-Ortigão, Marcelo; McMahon-Pratt, Diane; Traub-Csekö, Yara M

    2015-03-01

    Leishmaniasis is a serious problem that affects mostly poor countries. Various species of Leishmania are the agents of the disease, which take different clinical manifestations. The parasite is transmitted by sandflies, predominantly from the Phlebotomus genus in the Old World and Lutzomyia in the New World. During development in the gut, Leishmania must survive various challenges, which include avoiding being expelled with blood remnants after digestion. It is believed that attachment to the gut epithelium is a necessary step for vector infection, and molecules from parasites and sand flies have been implicated in this attachment. In previous work, monoclonal antibodies were produced against Leishmania. Among these an antibody was obtained against Leishmania braziliensis flagella, which blocked the attachment of Leishmania panamensis flagella to Phlebotomus papatasi guts. The protein recognized by this antibody was identified and named FLAG1, and the complete FLAG1 gene sequence was obtained. This protein was later independently identified as a small, myristoylated protein and called SMP1, so from now on it will be denominated FLAG1/SMP1. The FLAG1/SMP1 gene is expressed in all developmental stages of the parasite, but has higher expression in promastigotes. The anti-FLAG1/SMP1 antibody recognized the flagellum of all Leishmania species tested and generated the expected band by western blots. This antibody was used in attachment and infection blocking experiments. Using the New World vector Lutzomyia longipalpis and Leishmania infantum chagasi, no inhibition of attachment ex vivo or infection in vivo was seen. On the other hand, when the Old World vectors P. papatasi and Leishmania major were used, a significant decrease of both attachment and infection were seen in the presence of the antibody. We propose that FLAG1/SMP1 is involved in the attachment/infection of Leishmania in the strict vector P. papatasi and not the permissive vector L. longipalpis.

  2. The Role of Halogens in High-Grade Metamorphism and Anatexis

    NASA Astrophysics Data System (ADS)

    Aranovich, L.; Safonov, O.

    2016-12-01

    We review factors controlling the distribution of the two major halogens, F and Cl, in high-grade metamorphic rocks; their compositional correlations and partitioning between minerals; experimental data on stability and phase equilibria of the halogen-bearing minerals; the influence of halogens on Fe-Mg exchange reactions; and the means of estimating concentrations/activity of halogen species concentration/ activity in the fluid phase ("chlorimetry and fluorimetry") via calculation of equilibrium conditions for mineral assemblages containing halogen-bearing phases. Clear negative correlation between the F content and XFe=Fe/(Fe+Mg) suggests that natural biotite and amphibole obey the Fe-F avoidance rule. A strong positive correlation exists between K and Cl in amphibole. A scattering of points on the XFe -Cl and TiO2- Cl diagrams indicate the possible involvement of an exotic Cl-rich phase (fluid or melt) during the formation of Cl-bearing biotite and amphibole. Fluorine and Cl substituting for OH-groups substantially stabilize minerals relative to dehydration and melting. They should also strongly affect partitioning of Fe and Mg between biotite, amphibole and anhydrous minerals. This effect is quantified for Fe-Mg exchange reactions involving biotite (Zhu and Sverjensky, 1992), but remains to be evaluated for amphibole. Calculations based on recent thermodynamic systematics show that the relatively Mg-rich, Cl-poor biotite (for example, XFe = 0.4 and about 0.2 wt.% Cl) may coexist with a fairly Cl-rich fluid, i.e. total Cl/(Cl+H2O) from 0.1-0.3, depending on the assemblage, under granulite facies P-T conditions. Alkali (and Ca) metasomatism caused by interaction of high grade rocks with halogen-bearing fluids has major impact on the subsolidus phase transformations and melting processes during high-grade metamorphism and anatexis. For example, an increase in sodium content in plagioclase (Pl) by 20 mol% due to infiltration of Na- fluid into the quartz (Qtz

  3. Halogenation of Hydraulic Fracturing Additives in the Shale Well Parameter Space

    NASA Astrophysics Data System (ADS)

    Sumner, A. J.; Plata, D.

    2017-12-01

    Horizontal Drilling and Hydraulic fracturing (HDHF) involves the deep-well injection of a `fracking fluid' composed of diverse and numerous chemical additives designed to facilitate the release and collection of natural gas from shale plays. The potential impacts of HDHF operations on water resources and ecosystems are numerous, and analyses of flowback samples revealed organic compounds from both geogenic and anthropogenic sources. Furthermore, halogenated chemicals were also detected, and these compounds are rarely disclosed, suggesting the in situ halogenation of reactive additives. To test this transformation hypothesis, we designed and operated a novel high pressure and temperature reactor system to simulate the shale well parameter space and investigate the chemical reactivity of twelve commonly disclosed and functionally diverse HDHF additives. Early results revealed an unanticipated halogenation pathway of α-β unsaturated aldehyde, Cinnamaldehyde, in the presence of oxidant and concentrated brine. Ongoing experiments over a range of parameters informed a proposed mechanism, demonstrating the role of various shale-well specific parameters in enabling the demonstrated halogenation pathway. Ultimately, these results will inform a host of potentially unintended interactions of HDHF additives during the extreme conditions down-bore of a shale well during HDHF activities.

  4. 40 CFR 721.8675 - Halogenated pyridines.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8675 Halogenated pyridines. (a) Chemical substances and significant new uses subject to... subject to reporting under this section for the significant new uses described in paragraph (a)(1)(i) of...

  5. 40 CFR 721.8675 - Halogenated pyridines.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8675 Halogenated pyridines. (a) Chemical substances and significant new uses subject to... subject to reporting under this section for the significant new uses described in paragraph (a)(1)(i) of...

  6. 40 CFR 721.8675 - Halogenated pyridines.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8675 Halogenated pyridines. (a) Chemical substances and significant new uses subject to... subject to reporting under this section for the significant new uses described in paragraph (a)(1)(i) of...

  7. Inorganic Halogen Oxidizer Research

    DTIC Science & Technology

    1975-02-26

    K. 0. Christe and C. J. Schack, Advances Inorg. Chem. Radiochem. 15. "The NF * Radical Cation. Esr Studies of Radiation Effects in NF„+ Salts...and 25°) in a wide variety of polar and nonpolar solvents, such as aqueous solutions, alcohols, ketones , esters, ethers , and aromatic and halogenated... Studies of Radiation Effects in NF, Salts = 4 S. P. Mishra, M. C R. Symons, K. 0. Christe, R. D. Wilson and R. I. Wagner Received. . . August .9

  8. 38. FLAG/ADMIRAL BRIDGE PORT LOOKING TO STARBOARD SHOWING RADAR ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    38. FLAG/ADMIRAL BRIDGE - PORT LOOKING TO STARBOARD SHOWING RADAR SCOPE, ADMIRAL'S CHAIR, GYRO REPEATER AND VARIOUS COMMUNICATION SYSTEMS. - U.S.S. HORNET, Puget Sound Naval Shipyard, Sinclair Inlet, Bremerton, Kitsap County, WA

  9. Discovering "The Italian Flag" by Fernando Melani (1907-1985)

    NASA Astrophysics Data System (ADS)

    Carlesi, Serena; Bartolozzi, Giovanni; Cucci, Costanza; Marchiafava, Veronica; Picollo, Marcello; La Nasa, Jacopo; Di Girolamo, Francesca; Dilillo, Marialaura; Modugno, Francesca; Degano, Ilaria; Colombini, Maria Perla; Legnaioli, Stefano; Lorenzetti, Giulia; Palleschi, Vincenzo

    2016-11-01

    In the occasion of the celebrations for the 150th anniversary of the founding of Italy (1861-2011), it was decided to analyse the artwork ;The Italian Flag; (La Bandiera Italiana) created by the artist Fernando Melani (Pistoia, 1907-1985), one of the precursors of the Poor Art artistic movement in Italy. This project is a follow-up to a previous study which was mainly focused on the pigments and dyes found in his home-studio. The main goal of this paper is to identify a correct diagnostic plan, based on the use of a combination of non-invasive and micro-invasive methodologies, in order to determine the state of preservation and define the best conservation procedures for a contemporary artwork. Visible, infrared and infrared false colour images as well as the Fibre Optic Reflectance Spectroscopy (FORS) technique were applied in situ to analyse The Italian Flag. Laser Induced Breakdown Spectroscopy (LIBS), Fourier Transform Infrared (FT-IR) and micro-Raman spectroscopies, Pyrolysis-Gas Chromatography/Mass Spectroscopy (Py-GC/MS), High Performance Liquid Chromatography with Diode Arrays Detection (HPLC-DAD) and Mass Spectrometric Detection (HPLC-ESI-Q-ToF) were all applied to three small samples detached from the three painted (green-blue, white and red-yellow, respectively) areas of the flag. The combination of the data obtained with all these techniques made possible a comprehensive understanding of both the chemical composition and physical behaviour of the materials used by the artist and supported curators in defining the preventive conservation of this artwork.

  10. Discovering "The Italian Flag" by Fernando Melani (1907-1985).

    PubMed

    Carlesi, Serena; Bartolozzi, Giovanni; Cucci, Costanza; Marchiafava, Veronica; Picollo, Marcello; La Nasa, Jacopo; Di Girolamo, Francesca; Dilillo, Marialaura; Modugno, Francesca; Degano, Ilaria; Colombini, Maria Perla; Legnaioli, Stefano; Lorenzetti, Giulia; Palleschi, Vincenzo

    2016-11-05

    In the occasion of the celebrations for the 150th anniversary of the founding of Italy (1861-2011), it was decided to analyse the artwork "The Italian Flag" (La Bandiera Italiana) created by the artist Fernando Melani (Pistoia, 1907-1985), one of the precursors of the Poor Art artistic movement in Italy. This project is a follow-up to a previous study which was mainly focused on the pigments and dyes found in his home-studio. The main goal of this paper is to identify a correct diagnostic plan, based on the use of a combination of non-invasive and micro-invasive methodologies, in order to determine the state of preservation and define the best conservation procedures for a contemporary artwork. Visible, infrared and infrared false colour images as well as the Fibre Optic Reflectance Spectroscopy (FORS) technique were applied in situ to analyse The Italian Flag. Laser Induced Breakdown Spectroscopy (LIBS), Fourier Transform Infrared (FT-IR) and micro-Raman spectroscopies, Pyrolysis-Gas Chromatography/Mass Spectroscopy (Py-GC/MS), High Performance Liquid Chromatography with Diode Arrays Detection (HPLC-DAD) and Mass Spectrometric Detection (HPLC-ESI-Q-ToF) were all applied to three small samples detached from the three painted (green-blue, white and red-yellow, respectively) areas of the flag. The combination of the data obtained with all these techniques made possible a comprehensive understanding of both the chemical composition and physical behaviour of the materials used by the artist and supported curators in defining the preventive conservation of this artwork. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Volatile Halogenated Organic Compounds Released to Seawater from Temperate Marine Macroalgae

    NASA Astrophysics Data System (ADS)

    Gschwend, Philip M.; Macfarlane, John K.; Newman, Kathleen A.

    1985-03-01

    Volatile halogenated organic compounds synthesized by various industrial processes are troublesome pollutants because they are persistent in terrestrial ecosystems and because they may be present in sufficient quantities to alter the natural atmospheric cycles of the halogens. Certain of these compounds, including polybromomethanes and several previously unobserved alkyl monohalides and dihalides, appear to be natural products of the marine environment. A variety of temperate marine macroalgae (the brown algae Ascophyllum nodosum and Fucus vesiculosis, the green algae Enteromorpha linza and Ulva lacta, and the red alga Gigartina stellata) not only contain volatile halogenated organic compounds but also release them to seawater at rates of nanograms to micrograms of each compound per gram of dry algae per day. The macroalgae may be an important source of bromine-containing material released to the atmosphere.

  12. Halogen free benzoxazine based curable compositions for high T.sub.g applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Tietze, Roger; Nguyen, Yen-Loan

    A method for forming a halogen-free curable composition containing a benzoxazine monomer, at least one epoxy resin, a catalyst, a toughening agent and a solvent. The halogen-free curable composition is especially suited for use in automobile and aerospace applications since the composition, upon curing, produces a composite having a high glass transition temperature.

  13. Fluid-structure-interaction of a flag in a channel flow

    NASA Astrophysics Data System (ADS)

    Liu, Yingzheng; Yu, Yuelong; Zhou, Wenwu; Wang, Weizhe

    2017-11-01

    The unsteady flow field and flapping dynamics of an inverted flag in water channel are investigated using time resolved particle image velocimetry (TR-PIV) measurements. The dynamically deformed profiles of the inverted flag are determined by a novel algorithm that combines morphological image processing and principle component analysis. Instantaneous flow field, phase averaged vorticity, time-mean flow field and turbulent kinematic energy are addressed for the flow. Four modes are discovered as the dimensionless bending stiffness decreases, i.e., the straight mode, the biased mode, the flapping mode and the deflected mode. Among all modes, the flapping mode is characterized by large flapping amplitude and the reverse von Kármán vortex street wake, which is potential to enhance heat transfer remarkably. National Natural Science Foundation of China.

  14. α-Halogenated oxaphosphinanes: Synthesis, unexpected reactions and evaluation as inhibitors of cancer cell proliferation.

    PubMed

    Babouri, Rachida; Rolland, Marc; Sainte-Catherine, Odile; Kabouche, Zahia; Lecouvey, Marc; Bakalara, Norbert; Volle, Jean-Noël; Virieux, David; Pirat, Jean-Luc

    2015-11-02

    This paper describes the preparation and the biological evaluation of α-halogenated oxaphosphinanes. These halogen derivatives were synthetized from a short and stereoselective synthetic sequence starting by previously described hydroxy-precursors 1 and 2 with respectively a glucose and mannose-like configuration. The in vitro biological tests of these unnatural halogenated phosphinosugars, on several cell lines, highlighted, for some of them, their antiproliferative and anti migration and invasion properties at nanomolar concentration. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  15. Symmetric and asymmetric halogen-containing metallocarboranylporphyrins and uses thereof

    DOEpatents

    Miura, Michiko; Wu, Haitao

    2013-05-21

    The present invention is directed to low toxicity boronated compounds and methods for their use in the treatment, visualization, and diagnosis of tumors. More specifically, the present invention is directed to low toxicity halogenated, carborane-containing 5,10,15,20-tetraphenylporphyrin compounds and methods for their use particularly in boron neutron capture therapy (BNCT) and photodynamic therapy (PDT) for the treatment of tumors of the brain, head and neck, and surrounding tissue. The invention is also directed to using these halogenated, carborane-containing tetraphenylporphyrin compounds in methods of tumor imaging and/or diagnosis such as MRI, SPECT, or PET.

  16. Structure-Energy Relationships of Halogen Bonds in Proteins.

    PubMed

    Scholfield, Matthew R; Ford, Melissa Coates; Carlsson, Anna-Carin C; Butta, Hawera; Mehl, Ryan A; Ho, P Shing

    2017-06-06

    The structures and stabilities of proteins are defined by a series of weak noncovalent electrostatic, van der Waals, and hydrogen bond (HB) interactions. In this study, we have designed and engineered halogen bonds (XBs) site-specifically to study their structure-energy relationship in a model protein, T4 lysozyme. The evidence for XBs is the displacement of the aromatic side chain toward an oxygen acceptor, at distances that are equal to or less than the sums of their respective van der Waals radii, when the hydroxyl substituent of the wild-type tyrosine is replaced by a halogen. In addition, thermal melting studies show that the iodine XB rescues the stabilization energy from an otherwise destabilizing substitution (at an equivalent noninteracting site), indicating that the interaction is also present in solution. Quantum chemical calculations show that the XB complements an HB at this site and that solvent structure must also be considered in trying to design molecular interactions such as XBs into biological systems. A bromine substitution also shows displacement of the side chain, but the distances and geometries do not indicate formation of an XB. Thus, we have dissected the contributions from various noncovalent interactions of halogens introduced into proteins, to drive the application of XBs, particularly in biomolecular design.

  17. Astronaut Harrison Schmitt next to deployed U.S. flag on lunar surface

    NASA Image and Video Library

    1972-12-13

    AS17-134-20384 (7-19 Dec. 1972) --- Scientist-astronaut Harrison H. Schmitt, lunar module pilot, is photographed next to the deployed United States flag during lunar surface extravehicular activity (EVA) at the Taurus-Littrow landing site. The highest part of the flag appears to point toward our planet Earth in the distant background. This picture was taken by astronaut Eugene A. Cernan, Apollo 17 commander. While astronauts Cernan and Schmitt descended in the Lunar Module (LM) to explore the moon, astronaut Ronald E. Evans, command module pilot, remained with the Command and Service Modules (CSM) in lunar orbit.

  18. Formation of halogen-induced secondary organic aerosol (XOA)

    NASA Astrophysics Data System (ADS)

    Kamilli, Katharina; Ofner, Johannes; Zetzsch, Cornelius; Held, Andreas

    2013-04-01

    Reactive halogen species (RHS) are very important due to their potential of stratospheric ozone depletion and surface ozone destruction. RHS seem to interact with precursors of secondary organic aerosol (SOA) similarly to common atmospheric oxidants like OH radicals and ozone. The potential interaction of RHS with preformed SOA has recently been studied (Ofner et al., 2012). Although aerosol formation from reaction of RHS with typical SOA precursors was previously studied (e.g. Cai et al., 2006), no data are available on bromine-induced aerosol formation from organic precursors yet. An aerosol smog-chamber was used to examine the halogen-induced secondary organic aerosol (XOA) formation under atmospheric conditions using simulated sunlight. With a concentration of 10 ppb for the organic precursor, 2 ppb for molecular chlorine, and 10 ppb for molecular bromine, the experimental setup is close to ambient conditions. By combined measurements of the aerosol size distribution, ozone and NOx mixing ratios, as well as the decay of the organic precursor, aerosol yields and aerosol growth rates were determined. The decay of the organic precursor was analyzed by capillary gas chromatography coupled with flame-ionization detection (GC-FID) and the aerosol size distribution was measured using a Scanning Mobility Particle Sizer (SMPS). Additionally, with the decay rate of the precursor and the calculated photolysis rates of molecular halogen species, based on the well-known spectrum of the solar simulator, mechanistic details on the XOA formation pathways can be determined. We observed XOA formation even at very low precursor and RHS concentrations with a diameter mode at 10-20 nm and a number concentration up to 1000000 particles cm-3. While the XOA formation from chlorine is very rapid, the interaction of bromine with the organic precursors is about five times slower. The aerosol yield reached maximum values of 0.01 for the reaction of chlorine with α-pinene and 0.0004 for

  19. Vortex dynamics and heat transfer behind self-oscillating inverted flags of various lengths in channel flow

    NASA Astrophysics Data System (ADS)

    Yu, Yuelong; Liu, Yingzheng; Chen, Yujia

    2018-04-01

    The influence of an inverted flag's length-to-channel-width ratio (C* = L/W) on its oscillating behavior in a channel flow and the resultant vortex dynamics and heat transfer are determined experimentally. Three systems with C* values of 0.125, 0.250, and 0.375 were chosen for comparison. The interaction of highly unsteady flow with the inverted flag is measured with time-resolved particle image velocimetry. Variations in the underlying flow physics are discussed in terms of the statistical flow quantities, flag displacement, phase-averaged flow field, and vortex dynamics. The results show that the increase in C* shifts the occurrence of the flapping regime at high dimensionless bending stiffness. With the flag in the flapping region, three distinct vortex dynamics—the von Kármán vortex street, the G mode, and the singular mode—are identified at C* values of 0.375, 0.250, and 0.125, respectively. Finally, the heat transfer enhancement from the self-oscillating inverted flag is measured to serve as complementary information to quantify the cause-and-effect relationship between vortex dynamics and wall heat transfer. The increase in C* strongly promotes wall heat removal because disruption of the boundary layer by the energetic vortices is substantially intensified. Among all systems, wall heat transfer removal is most efficient at the intermediate C* value of 0.250.

  20. China Report RED FLAG No 10, 16 MAY 1986

    DTIC Science & Technology

    1986-07-03

    4U Create a New Situation in Building the Legal System for Science and Technology in Our Country (pp 26-29) (Wu Mingyu ) The New Technological...Beijing RED FLAG in Chinese No 10, 16 May 86 pp 26-29 [Article by Wu Mingyu [0702 2494 3842

  1. 46 CFR 154.24 - Foreign flag vessel: IMO Certificate.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ....24 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.24 Foreign flag... Construction and Equipment of Ships Carrying Liquefied Gases in Bulk, 1975” is usually sufficient evidence of...

  2. 46 CFR 154.24 - Foreign flag vessel: IMO Certificate.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ....24 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.24 Foreign flag... Construction and Equipment of Ships Carrying Liquefied Gases in Bulk, 1975” is usually sufficient evidence of...

  3. 46 CFR 154.24 - Foreign flag vessel: IMO Certificate.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ....24 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.24 Foreign flag... Construction and Equipment of Ships Carrying Liquefied Gases in Bulk, 1975” is usually sufficient evidence of...

  4. 46 CFR 154.24 - Foreign flag vessel: IMO Certificate.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ....24 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.24 Foreign flag... Construction and Equipment of Ships Carrying Liquefied Gases in Bulk, 1975” is usually sufficient evidence of...

  5. 46 CFR 154.24 - Foreign flag vessel: IMO Certificate.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ....24 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.24 Foreign flag... Construction and Equipment of Ships Carrying Liquefied Gases in Bulk, 1975” is usually sufficient evidence of...

  6. Skin Sensitizing Potency of Halogenated Platinum Salts.

    EPA Science Inventory

    The relationship between occupational exposure to halogenated platinum (Pt) salts and Pt-specific allergic sensitization is well-established. Although human case reports and clinical studies demonstrate that Pt salts are potent skin sensitizers, no studies have been published tha...

  7. Impact of Enhanced Ozone Deposition and Halogen Chemistry on Tropospheric Ozone over the Northern Hemisphere.

    PubMed

    Sarwar, Golam; Gantt, Brett; Schwede, Donna; Foley, Kristen; Mathur, Rohit; Saiz-Lopez, Alfonso

    2015-08-04

    Fate of ozone in marine environments has been receiving increased attention due to the tightening of ambient air quality standards. The role of deposition and halogen chemistry is examined through incorporation of an enhanced ozone deposition algorithm and inclusion of halogen chemistry in a comprehensive atmospheric modeling system. The enhanced ozone deposition treatment accounts for the interaction of iodide in seawater with ozone and increases deposition velocities by 1 order of magnitude. Halogen chemistry includes detailed chemical reactions of organic and inorganic bromine and iodine species. Two different simulations are completed with the halogen chemistry: without and with photochemical reactions of higher iodine oxides. Enhanced deposition reduces mean summer-time surface ozone by ∼3% over marine regions in the Northern Hemisphere. Halogen chemistry without the photochemical reactions of higher iodine oxides reduces surface ozone by ∼15% whereas simulations with the photochemical reactions of higher iodine oxides indicate ozone reductions of ∼48%. The model without these processes overpredicts ozone compared to observations whereas the inclusion of these processes improves predictions. The inclusion of photochemical reactions for higher iodine oxides leads to ozone predictions that are lower than observations, underscoring the need for further refinement of the halogen emissions and chemistry scheme in the model.

  8. Selective Nitrate Recognition by a Halogen-Bonding Four-Station [3]Rotaxane Molecular Shuttle.

    PubMed

    Barendt, Timothy A; Docker, Andrew; Marques, Igor; Félix, Vítor; Beer, Paul D

    2016-09-05

    The synthesis of the first halogen bonding [3]rotaxane host system containing a bis-iodo triazolium-bis-naphthalene diimide four station axle component is reported. Proton NMR anion binding titration experiments revealed the halogen bonding rotaxane is selective for nitrate over the more basic acetate, hydrogen carbonate and dihydrogen phosphate oxoanions and chloride, and exhibits enhanced recognition of anions relative to a hydrogen bonding analogue. This elaborate interlocked anion receptor functions via a novel dynamic pincer mechanism where upon nitrate anion binding, both macrocycles shuttle from the naphthalene diimide stations at the periphery of the axle to the central halogen bonding iodo-triazolium station anion recognition sites to form a unique 1:1 stoichiometric nitrate anion-rotaxane sandwich complex. Molecular dynamics simulations carried out on the nitrate and chloride halogen bonding [3]rotaxane complexes corroborate the (1) H NMR anion binding results. © 2016 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

  9. Singlet oxygen production by combining erythrosine and halogen light for photodynamic inactivation of Streptococcus mutans.

    PubMed

    Fracalossi, Camila; Nagata, Juliana Yuri; Pellosi, Diogo Silva; Terada, Raquel Sano Suga; Hioka, Noboru; Baesso, Mauro Luciano; Sato, Francielle; Rosalen, Pedro Luiz; Caetano, Wilker; Fujimaki, Mitsue

    2016-09-01

    Photodynamic inactivation of microorganisms is based on a photosensitizing substance which, in the presence of light and molecular oxygen, produces singlet oxygen, a toxic agent to microorganisms and tumor cells. This study aimed to evaluate singlet oxygen quantum yield of erythrosine solutions illuminated with a halogen light source in comparison to a LED array (control), and the photodynamic effect of erythrosine dye in association with the halogen light source on Streptococcus mutans. Singlet oxygen quantum yield of erythrosine solutions was quantified using uric acid as a chemical-probe in an aqueous solution. The in vitro effect of the photodynamic antimicrobial activity of erythrosine in association with the halogen photopolimerizing light on Streptococcus mutans (UA 159) was assessed during one minute. Bacterial cultures treated with erythrosine alone served as negative control. Singlet oxygen with 24% and 2.8% degradation of uric acid in one minute and a quantum yield of 0.59 and 0.63 was obtained for the erythrosine samples illuminated with the halogen light and the LED array, respectively. The bacterial cultures with erythrosine illuminated with the halogen light presented a decreased number of CFU mL(-1) in comparison with the negative control, with minimal inhibitory concentrations between 0.312 and 0.156mgmL(-1). The photodynamic response of erythrosine induced by the halogen light was capable of killing S. mutans. Clinical trials should be conducted to better ascertain the use of erythrosine in association with halogen light source for the treatment of dental caries. Copyright © 2016 Elsevier B.V. All rights reserved.

  10. Base-Pairing Energies of Proton-Bound Dimers and Proton Affinities of 1-Methyl-5-Halocytosines: Implications for the Effects of Halogenation on the Stability of the DNA i-Motif

    NASA Astrophysics Data System (ADS)

    Yang, Bo; Wu, R. R.; Rodgers, M. T.

    2015-09-01

    (CCG)n•(CGG)n trinucleotide repeats have been found to be associated with fragile X syndrome, the most widespread inherited cause of mental retardation in humans. The (CCG)n•(CGG)n repeats adopt i-motif conformations that are preferentially stabilized by base-pairing interactions of noncanonical proton-bound dimers of cytosine (C+•C). Halogenated cytosine residues are one form of DNA damage that may be important in altering the structure and stability of DNA or DNA-protein interactions and, hence, regulate gene expression. Previously, we investigated the effects of 5-halogenation and 1-methylation of cytosine on the base-pairing energies (BPEs) using threshold collision-induced dissociation (TCID) techniques. In the present study, we extend our work to include proton-bound homo- and heterodimers of cytosine, 1-methyl-5-fluorocytosine, and 1-methyl-5-bromocytosine. All modifications examined here are found to produce a decrease in the BPEs. However, the BPEs of all of the proton-bound dimers examined significantly exceed those of Watson-Crick G•C, neutral C•C base pairs, and various methylated variants such that DNA i-motif conformations should still be preserved in the presence of these modifications. The proton affinities (PAs) of the halogenated cytosines are also obtained from the experimental data by competitive analysis of the primary dissociation pathways that occur in parallel for the proton-bound heterodimers. 5-Halogenation leads to a decrease in the N3 PA of cytosine, whereas 1-methylation leads to an increase in the N3 PA. Thus, the 1-methyl-5-halocytosines exhibit PAs that are intermediate.

  11. DESTRUCTION OF HALOGENATED HYDROCARBONS WITH SOLVATED ELECTRONS IN THE PRESENCE OF WATER. (R826180)

    EPA Science Inventory

    Model halogenated aromatic and aliphatic hydrocarbons and halogenated phenols were dehalogenated in seconds by solvated electrons generated from sodium in both anhydrous liquid ammonia and ammonia/water solutions. The minimum sodium required to completely dehalogenate these mo...

  12. Halogen Bonding versus Hydrogen Bonding: A Molecular Orbital Perspective

    PubMed Central

    Wolters, Lando P; Bickelhaupt, F Matthias

    2012-01-01

    We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A− and the analogous hydrogen-bonded complexes DH⋅⋅⋅A− (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stability can be inferred over a large range of systems. The main objective was to achieve a detailed understanding of the nature of halogen bonds, how they resemble, and also how they differ from, the better understood hydrogen bonds. Thus, we present an accurate physical model of the halogen bond based on quantitative Kohn–Sham molecular orbital (MO) theory, energy decomposition analyses (EDA) and Voronoi deformation density (VDD) analyses of the charge distribution. It appears that the halogen bond in DX⋅⋅⋅A− arises not only from classical electrostatic attraction but also receives substantial stabilization from HOMO–LUMO interactions between the lone pair of A− and the σ* orbital of D–X. PMID:24551497

  13. 40 CFR 721.535 - Halogenated alkane (generic).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Section 721.535 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.535 Halogenated alkane (generic). (a) Chemical substance and significant new uses subject to...

  14. 14 CFR 1221.106 - Establishment of the NASA Flag.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 5 2013-01-01 2013-01-01 false Establishment of the NASA Flag. 1221.106 Section 1221.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  15. 14 CFR 1221.106 - Establishment of the NASA Flag.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Establishment of the NASA Flag. 1221.106 Section 1221.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  16. 14 CFR 1221.113 - Use of the NASA Flags.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 5 2010-01-01 2010-01-01 false Use of the NASA Flags. 1221.113 Section 1221.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA Program...

  17. 14 CFR 1221.113 - Use of the NASA Flags.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 5 2011-01-01 2010-01-01 true Use of the NASA Flags. 1221.113 Section 1221.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA Program...

  18. 14 CFR 1221.106 - Establishment of the NASA Flag.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 5 2012-01-01 2012-01-01 false Establishment of the NASA Flag. 1221.106 Section 1221.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  19. 14 CFR 1221.113 - Use of the NASA Flags.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 5 2013-01-01 2013-01-01 false Use of the NASA Flags. 1221.113 Section 1221.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA Program...

  20. 14 CFR 1221.113 - Use of the NASA Flags.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 5 2012-01-01 2012-01-01 false Use of the NASA Flags. 1221.113 Section 1221.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA Program...

  1. 14 CFR 1221.106 - Establishment of the NASA Flag.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 5 2011-01-01 2010-01-01 true Establishment of the NASA Flag. 1221.106 Section 1221.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  2. Chemical Action of Halogenated Agents in Fire Extinguishing

    NASA Technical Reports Server (NTRS)

    Belles, Frank E.

    1955-01-01

    The action of halogenated agents in preventing flame propagation in fuel-air mixtures in laboratory tests is discussed in terms of a possible chemical mechanism. The mechanism chosen is that of chain-breaking reactions between agent and active particles (hydrogen and oxygen atoms and hydroxyl radicsls). Data from the literature on the flammability peaks of n-heptane agent-air mixtures are treated. Ratings of agent effectiveness in terms of the fuel equivalent of the agent, based on both fuel and agent concentrations at the peak, are proposed as preferable to ratings in terms of agent concentration alone. These fuel-equivalent ratings are roughly correlated by reactivities assigned to halogen and hydrogen atoms in the agent molecules. It is concluded that the presence of hydrogen in agent need not reduce its fire-fighting ability, provided there is enough halogen to make the agent nonflammable. A method is presented for estimating from quenching-distance data a rate constant for the reaction of agent with active particles. A quantitative result is obtained for methyl bromide. This rate constant predicts the observed peak concentration of methyl bromide quite well. However, more data are needed to prove the validity of the method. The assumption that hal.ogenatedagents act mainly by chain-bresking reactions with active particles is consistent with the experimental facts and should help guide the selection of agents for further tests.

  3. Energetics of halogen impurities in thorium dioxide

    NASA Astrophysics Data System (ADS)

    Kuganathan, Navaratnarajah; Ghosh, Partha S.; Arya, Ashok K.; Dey, Gautam K.; Grimes, Robin W.

    2017-11-01

    Defect energies for halogen impurity atoms (Cl, Br and I) in thoria are calculated using the generalized gradient approximation and projector augmented plane wave potentials under the framework of density functional theory. The energy to place a halogen atom at a pre-existing lattice site is the incorporation energy. Seven sites are considered: octahedral interstitial, O vacancy, Th vacancy, Th-O di-vacancy cluster (DV) and the three O-Th-O tri-vacancy cluster (NTV) configurations. For point defects and vacancy clusters, neutral and all possible defect charge states up to full formal charge are considered. The most favourable incorporation site for Cl is the singly charged positive oxygen vacancy while for Br and I it is the NTV1 cluster. By considering the energy to form the defect sites, solution energies are generated. These show that in both ThO2-x and ThO2 the most favourable solution equilibrium site for halides is the single positively charged oxygen vacancy (although in ThO2, I demonstrates the same solubility in the NTV1 and DV clusters). Solution energies are much lower in ThO2-x than in ThO2 indicating that stoichiometry is a significant factor in determining solubility. In ThO2, all three halogens are highly insoluble and in ThO2-x Br and I remain insoluble. Although ½Cl2 is soluble in ThO2-x alternative phases such as ZrCl4 exist which are of lower energy.

  4. On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chandra, Sankhabrata; Bhattacharya, Atanu, E-mail: atanub@ipc.iisc.ernet.in; Periyasamy, Ganga

    2015-06-28

    In this article, we have presented ultrafast charge transfer dynamics through halogen bonds following vertical ionization of representative halogen bonded clusters. Subsequent hole directed reactivity of the radical cations of halogen bonded clusters is also discussed. Furthermore, we have examined effect of the halogen bond strength on the electron-electron correlation- and relaxation-driven charge migration in halogen bonded complexes. For this study, we have selected A-Cl (A represents F, OH, CN, NH{sub 2}, CF{sub 3}, and COOH substituents) molecules paired with NH{sub 3} (referred as ACl:NH{sub 3} complex): these complexes exhibit halogen bonds. To the best of our knowledge, this ismore » the first report on purely electron correlation- and relaxation-driven ultrafast (attosecond) charge migration dynamics through halogen bonds. Both density functional theory and complete active space self-consistent field theory with 6-31 + G(d, p) basis set are employed for this work. Upon vertical ionization of NCCl⋯NH{sub 3} complex, the hole is predicted to migrate from the NH{sub 3}-end to the ClCN-end of the NCCl⋯NH{sub 3} complex in approximately 0.5 fs on the D{sub 0} cationic surface. This hole migration leads to structural rearrangement of the halogen bonded complex, yielding hydrogen bonding interaction stronger than the halogen bonding interaction on the same cationic surface. Other halogen bonded complexes, such as H{sub 2}NCl:NH{sub 3}, F{sub 3}CCl:NH{sub 3}, and HOOCCl:NH{sub 3}, exhibit similar charge migration following vertical ionization. On the contrary, FCl:NH{sub 3} and HOCl:NH{sub 3} complexes do not exhibit any charge migration following vertical ionization to the D{sub 0} cation state, pointing to interesting halogen bond strength-dependent charge migration.« less

  5. Reconciliation of Halogen-Induced Ozone Loss with the Total-Column Ozone Record

    NASA Technical Reports Server (NTRS)

    Shepherd, T. G.; Plummer, D. A.; Scinocca, J. F.; Hegglin, M. I.; Fioletov, V. E.; Reader, M. C.; Remsberg, E.; von Clarmann, T.; Wang, H. J.

    2014-01-01

    The observed depletion of the ozone layer from the 1980s onwards is attributed to halogen source gases emitted by human activities. However, the precision of this attribution is complicated by year-to-year variations in meteorology, that is, dynamical variability, and by changes in tropospheric ozone concentrations. As such, key aspects of the total-column ozone record, which combines changes in both tropospheric and stratospheric ozone, remain unexplained, such as the apparent absence of a decline in total-column ozone levels before 1980, and of any long-term decline in total-column ozone levels in the tropics. Here we use a chemistry-climate model to estimate changes in halogen-induced ozone loss between 1960 and 2010; the model is constrained by observed meteorology to remove the eects of dynamical variability, and driven by emissions of tropospheric ozone precursors to separate out changes in tropospheric ozone. We show that halogen-induced ozone loss closely followed stratospheric halogen loading over the studied period. Pronounced enhancements in ozone loss were apparent in both hemispheres following the volcanic eruptions of El Chichon and, in particular, Mount Pinatubo, which significantly enhanced stratospheric aerosol loads. We further show that approximately 40% of the long-term non-volcanic ozone loss occurred before 1980, and that long-term ozone loss also occurred in the tropical stratosphere. Finally, we show that halogeninduced ozone loss has declined by over 10% since stratospheric halogen loading peaked in the late 1990s, indicating that the recovery of the ozone layer is well underway.

  6. Sources of halogens in the environment, influences on human and animal health.

    PubMed

    Fuge, R

    1988-06-01

    Of the halogens, fluorine has the highest crustal abundance (544 mg/kg) while iodine has the lowest (0.25 mg/kg), however, chlorine is by far the most abundant halogen in the cosmos. The geochemistries of the four naturally occurring halogens have some similarities with fluorine, chlorine and bromine being classified as lithophile elements while iodine is more chalcophile in nature. Bromine and iodine behave in a similar fashion in the secondary environment and could be classified as biophile elements being concentrated in organic matter. Chlorine, bromine and iodine are strongly enriched in the sea while iodine and to a lesser extent bromine are further concentrated in the marine algae.Apart from the occurrence of fluorine in fluorite (CaF2) there are few commonly occurring minerals which contain the halogens as essential constituents. In the igneous environment fluorine and chlorine tend to occupy hydroxyl lattice sites in micas, amphiboles, apatites etc., while in sediments clays can contain appreciable quantities of these elements. Bromine and iodine, however, would be unlikely to fit into the lattice sites of common rock-forming minerals.Bromine, like iodine, is probably volatilised from the marine environment and is carried on to land surfaces. This behaviour of iodine and bromine is reflected in the increased I/CI and Br/CI ratios of surface run-off in continental compared with near coastal environments.Limited information on the soil geochemistry of the halogens suggests that the soil contents of chlorine, bromine and iodine are influenced by proximity to the sea. Soil fluorine, however, is generally dependent on its content in the parent material. In some areas pollutant sources of the halogens contribute appreciably to their concentration in the environment.Iodine and chlorine are essential elements for mammals and fluorine has been shown to have beneficial effects on bone and tooth formation. However, excess quantities of dietary fluorine can be harmful

  7. Mouse Model of Halogenated Platinum Salt Hypersensitivity

    EPA Science Inventory

    Occupational exposure to halogenated platinum salts can trigger the development of asthma. Concern for increased asthma risk exists for the general population due to the use of platinum (Pt) in catalytic converters and its emerging use as a diesel fuel additive. To investigate a...

  8. Technology for radiation efficiency measurement of high-power halogen tungsten lamp used in calibration of high-energy laser energy meter.

    PubMed

    Wei, Ji Feng; Hu, Xiao Yang; Sun, Li Qun; Zhang, Kai; Chang, Yan

    2015-03-20

    The calibration method using a high-power halogen tungsten lamp as a calibration source has many advantages such as strong equivalence and high power, so it is very fit for the calibration of high-energy laser energy meters. However, high-power halogen tungsten lamps after power-off still reserve much residual energy and continually radiate energy, which is difficult to be measured. Two measuring systems were found to solve the problems. One system is composed of an integrating sphere and two optical spectrometers, which can accurately characterize the radiative spectra and power-time variation of the halogen tungsten lamp. This measuring system was then calibrated using a normal halogen tungsten lamp made of the same material as the high-power halogen tungsten lamp. In this way, the radiation efficiency of the halogen tungsten lamp after power-off can be quantitatively measured. In the other measuring system, a wide-spectrum power meter was installed far away from the halogen tungsten lamp; thus, the lamp can be regarded as a point light source. The radiation efficiency of residual energy from the halogen tungsten lamp was computed on the basis of geometrical relations. The results show that the halogen tungsten lamp's radiation efficiency was improved with power-on time but did not change under constant power-on time/energy. All the tested halogen tungsten lamps reached 89.3% of radiation efficiency at 50 s after power-on. After power-off, the residual energy in the halogen tungsten lamp gradually dropped to less than 10% of the initial radiation power, and the radiation efficiency changed with time. The final total radiation energy was decided by the halogen tungsten lamp's radiation efficiency, the radiation efficiency of residual energy, and the total power consumption. The measuring uncertainty of total radiation energy was 2.4% (here, the confidence factor is two).

  9. Inorganic Halogen Oxidizer Research

    DTIC Science & Technology

    1981-04-21

    International Rocketdyne Division 6633 Canoga Avenue Canoga Park, California 91304 RI/R.D8l1-14O A ’N-NUAL REPORT INORGANIC HALOGEN OXIDIZER RESEARCH (I...March 1980 through 8 February 198L) 21 April 1981 "Contract N00014-79-C-0176 . GO. 95067 . , Office of Naval Research I-- Power Branch , ,, Code 473...Office of Naval Research Power Branch 11 I-ar Ccovie 473 ~ UMBER OF PA’E1 Arlington. VA 22217 . 76" 74 AONIYONING AGENCY NAME III Dw~S~ d, I f,. .f

  10. Iron Mineral Catalyzed C-H Activation As a Potential Pathway for Halogenation Processes

    NASA Astrophysics Data System (ADS)

    Tubbesing, C.; Schoeler, H. F.; Benzing, K.; Krause, T.; Lippe, S.; Rudloff, M.

    2014-12-01

    Due to increasing drinking water demand of mankind and an expected climate change the impact of salt lakes and salt deserts will increase within the next decades. Furthermore, a rising sea level influences coastal areas like salt marshes and abets processes which will lead to elevated organohalogen formation. An additional increase of the global warming potential, of particle formation and stratospheric ozone depletion is expected. Understanding these multifaceted processes is essential for mankind to be prepared for these alterations of the atmosphere. For example, Keppler et al. (2000) described the production of volatile halogenated organic compounds via oxidation of organic matter driven by ferric iron. However, the formation of long-chained alkyl halides in salt lakes is yet undisclosed. Despite the relative "inertness" of alkanes a direct halogenation of these compounds might be envisaged. In 2005 Vaillancourt et al. discovered a nonheme iron enzyme which is able to halogenate organic compounds via generating the high valent ferryl cation as reaction center. Based on various publications about C-H activation (Bergman, 2007) we postulate a halogenation process in which an iron containing minerals catalyse the C-H bond cleavage of organic compounds in soils. The generated organic radicals are highly reactive towards halides connected to the iron complex. We suggest that next to diagenetically altered iron containing enzymes, minerals such as oxides, hydroxides and sulfides are involved in abiotic halogenation processes. We applied the amino acid methionine as organic model compound and soluble iron species as reactants. All samples were incubated in aqueous phases containing various NaCl concentrations. As a result various halogenated ethanes and ethenes were identified as reaction products. References Bergman, R. G. (2007) Nature, 446(7134) 391-393 Keppler, F., et al. (2000) Nature, 403(6767) 298-301 Vaillancourt, F. H., et al. (2005) Nature, 436(7054) 1191-1194

  11. Tips to Increase Girls' Participation in Flag Football Units

    ERIC Educational Resources Information Center

    Hannon, James C.; Ratliffe, Thomas

    2006-01-01

    Despite the apparent popularity of flag football as an activity in physical education class and football as an after-school offering for girls, studies related to gender stereotyping of sports have found overwhelming evidence indicating that football is perceived as a masculine activity among males and females in primary school, secondary school,…

  12. The US Flag Merchant Marine: A National Asset?

    DTIC Science & Technology

    1994-06-03

    to handle large, Western style shipping . Despite the increased fuel prices and high capital costs which prompted a worldwide depression in maritime...to the shipping industry. Without such preference cargoes , the expense associated with conducting business under the American flag was simply too high ...and high cost ships and labor. Rate Wars of the 1980s Seatrain had successfully pioneered intermodalism, direct transloading of containerized cargoes

  13. Halogens and the Chemistry of the Free Troposphere

    NASA Technical Reports Server (NTRS)

    Lary, David John

    2004-01-01

    The role of halogens in both the marine boundary layer and the stratosphere has long been recognized, while their role in the free troposphere is often not considered in global chemical models. However, a careful examination of free-tropospheric chemistry constrained by observations using a full chemical data assimilation system shows that halogens do play a significant role in the free troposphere. In particular, the chlorine initiation of methane oxidation in the free troposphere can contribute more than 10%, and in some regions up to 50%, of the total rate of initiation. The initiation of methane oxidation by chlorine is particularly important below the polar vortex and in northern mid-latitudes. Likewise, the hydrolysis of BrONO2 alone can contribute more than 35% of the HNO3 production rate in the free-troposphere.

  14. 14 CFR 121.535 - Responsibility for operational control: Flag operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... dispatcher are jointly responsible for the preflight planning, delay, and dispatch release of a flight in... AND OPERATIONS OPERATING REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Flight Operations...— (1) Monitoring the progress of each flight; (2) Issuing necessary instructions and information for...

  15. 14 CFR 121.535 - Responsibility for operational control: Flag operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... dispatcher are jointly responsible for the preflight planning, delay, and dispatch release of a flight in... AND OPERATIONS OPERATING REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Flight Operations...— (1) Monitoring the progress of each flight; (2) Issuing necessary instructions and information for...

  16. 14 CFR 121.535 - Responsibility for operational control: Flag operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... dispatcher are jointly responsible for the preflight planning, delay, and dispatch release of a flight in... AND OPERATIONS OPERATING REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Flight Operations...— (1) Monitoring the progress of each flight; (2) Issuing necessary instructions and information for...

  17. 14 CFR 121.535 - Responsibility for operational control: Flag operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... dispatcher are jointly responsible for the preflight planning, delay, and dispatch release of a flight in... AND OPERATIONS OPERATING REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Flight Operations...— (1) Monitoring the progress of each flight; (2) Issuing necessary instructions and information for...

  18. 14 CFR 121.535 - Responsibility for operational control: Flag operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... dispatcher are jointly responsible for the preflight planning, delay, and dispatch release of a flight in... AND OPERATIONS OPERATING REQUIREMENTS: DOMESTIC, FLAG, AND SUPPLEMENTAL OPERATIONS Flight Operations...— (1) Monitoring the progress of each flight; (2) Issuing necessary instructions and information for...

  19. Auger analysis of films formed on metals in sliding contact with halogenated polymers

    NASA Technical Reports Server (NTRS)

    Pepper, S. V.

    1974-01-01

    The use of Auger electron spectroscopy (AES) to search for transferred polymer must contend with the fact that there has been no published work on Auger analysis of polymers. Since this is a new area for AES, the Auger spectra of polymers and of halogenated polymers in particular is discussed. It is shown that the Auger spectra of halogenated polymers have certain characteristics that permit an assessment of whether a polymeric transfer film has been established by sliding contact. The discussion is general and the concepts should be useful in considering the Auger analysis of any polymer. The polymers chosen for this study are the halogenated polymers polytetrafluoroethylene (PTFE), polyvinyl chloride (PVC), and polychlorotrifluorethylene (PCTFE).

  20. Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.

    The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared tomore » the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σ AX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.« less

  1. Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

    DOE PAGES

    Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; ...

    2014-12-05

    The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared tomore » the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σ AX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.« less

  2. 40 CFR 721.8875 - Substituted halogenated pyridinol.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8875 Substituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1273) is subject to reporting under this section for the significant new uses described...

  3. 40 CFR 721.8750 - Halogenated substituted pyridine.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8750 Halogenated substituted pyridine. (a) Chemical substances and significant new uses... pyridine (PMN P-86-838) is subject to reporting under this section for the significant new uses described...

  4. 40 CFR 721.8875 - Substituted halogenated pyridinol.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8875 Substituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1273) is subject to reporting under this section for the significant new uses described...

  5. 40 CFR 721.8850 - Disubstituted halogenated pyridinol.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8850 Disubstituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1274) is subject to reporting under this section for the significant new uses described...

  6. 40 CFR 721.8850 - Disubstituted halogenated pyridinol.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8850 Disubstituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1274) is subject to reporting under this section for the significant new uses described...

  7. 40 CFR 721.8750 - Halogenated substituted pyridine.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8750 Halogenated substituted pyridine. (a) Chemical substances and significant new uses... pyridine (PMN P-86-838) is subject to reporting under this section for the significant new uses described...

  8. 40 CFR 721.8850 - Disubstituted halogenated pyridinol.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8850 Disubstituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1274) is subject to reporting under this section for the significant new uses described...

  9. 40 CFR 721.8875 - Substituted halogenated pyridinol.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8875 Substituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1273) is subject to reporting under this section for the significant new uses described...

  10. 40 CFR 721.8750 - Halogenated substituted pyridine.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8750 Halogenated substituted pyridine. (a) Chemical substances and significant new uses... pyridine (PMN P-86-838) is subject to reporting under this section for the significant new uses described...

  11. 40 CFR 721.8875 - Substituted halogenated pyridinol.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8875 Substituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1273) is subject to reporting under this section for the significant new uses described...

  12. 40 CFR 721.8750 - Halogenated substituted pyridine.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8750 Halogenated substituted pyridine. (a) Chemical substances and significant new uses... pyridine (PMN P-86-838) is subject to reporting under this section for the significant new uses described...

  13. 40 CFR 721.8875 - Substituted halogenated pyridinol.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8875 Substituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1273) is subject to reporting under this section for the significant new uses described...

  14. 40 CFR 721.8850 - Disubstituted halogenated pyridinol.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8850 Disubstituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1274) is subject to reporting under this section for the significant new uses described...

  15. 40 CFR 721.8750 - Halogenated substituted pyridine.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8750 Halogenated substituted pyridine. (a) Chemical substances and significant new uses... pyridine (PMN P-86-838) is subject to reporting under this section for the significant new uses described...

  16. 40 CFR 721.8850 - Disubstituted halogenated pyridinol.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8850 Disubstituted halogenated pyridinol. (a) Chemical substances and significant new uses... pyridinol (PMN P-88-1274) is subject to reporting under this section for the significant new uses described...

  17. Iodine(III) Derivatives as Halogen Bonding Organocatalysts.

    PubMed

    Heinen, Flemming; Engelage, Elric; Dreger, Alexander; Weiss, Robert; Huber, Stefan M

    2018-03-26

    Hypervalent iodine(III) derivatives are known as versatile reagents in organic synthesis, but there is only one previous report on their use as Lewis acidic organocatalysts. Herein, we present first strong indications for the crucial role of halogen bonding in this kind of catalyses. To this end, the solvolysis of benzhydryl chloride and the Diels-Alder reaction of cyclopentadiene with methyl vinyl ketone served as benchmark reactions for halide abstraction and the activation of neutral compounds. Iodolium compounds (cyclic diaryl iodonium species) were used as activators or catalysts, and we were able to markedly reduce or completely switch off their activity by sterically blocking one or two of their electrophilic axes. Compared with previously established bidentate cationic halogen bond donors, the monodentate organoiodine derivatives used herein are at least similarly active (in the Diels-Alder reaction) or even decidedly more active (in benzhydryl chloride solvolysis). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Astronaut David Scott gives salute beside U.S. flag during EVA

    NASA Image and Video Library

    1971-08-01

    AS15-88-11863 (1 Aug. 1971) --- Astronaut David R. Scott, commander, gives a military salute while standing beside the deployed United States flag during the Apollo 15 lunar surface extravehicular activity (EVA) at the Hadley-Apennine landing site. The flag was deployed toward the end of EVA-2. The Lunar Module (LM), "Falcon," is partially visible on the right. Hadley Delta in the background rises approximately 4,000 meters (about 13,124 feet) above the plain. The base of the mountain is approximately 5 kilometers (about three statue miles) away. This photograph was taken by astronaut James B. Irwin, lunar module pilot. While astronauts Scott and Irwin descended in the LM to explore the moon, astronaut Alfred M. Worden, command module pilot, remained in lunar orbit in the Command and Service Modules (CSM).

  19. Analysis of historical and recent PBX 9404 cylinder tests using FLAG

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wooten, Hasani Omar; Whitley, Von Howard

    2017-01-31

    Cylinder test experiments using aged PBX-9404 were recently conducted. When compared to similar historical tests using the same materials, but different diagnostics, the data indicate that PBX 9404 imparts less energy to surrounding copper. The purpose of this work was to simulate historical and recent cylinder tests using the Lagrangian hydrodynamics code, FLAG, and identify any differences in the energetic behavior of the material. Nine experiments spanning approximately 4.5 decades were simulated, and radial wall expansions and velocities were compared. Equation-of-state parameters were adjusted to obtain reasonable matches with experimental data. Pressure-volume isentropes were integrated, and resultant energies at specificmore » volume expansions were compared. FLAG simulations matched to experimental data indicate energetic changes of approximately -0.57% to -0.78% per decade.« less

  20. Red Flags for Low Back Pain Are Not Always Really Red: A Prospective Evaluation of the Clinical Utility of Commonly Used Screening Questions for Low Back Pain.

    PubMed

    Premkumar, Ajay; Godfrey, William; Gottschalk, Michael B; Boden, Scott D

    2018-03-07

    Low back pain has a high prevalence and morbidity, and is a source of substantial health-care spending. Numerous published guidelines support the use of so-called red flag questions to screen for serious pathology in patients with low back pain. This paper examines the effectiveness of red flag questions as a screening tool for patients presenting with low back pain to a multidisciplinary academic spine center. We conducted a retrospective review of the cases of 9,940 patients with a chief complaint of low back pain. The patients completed a questionnaire that included several red flag questions during their first physician visit. Diagnostic data for the same clinical episode were collected from medical records and were corroborated with imaging reports. Patients who were diagnosed as having a vertebral fracture, malignancy, infection, or cauda equina syndrome were classified as having a red flag diagnosis. Specific individual red flags and combinations of red flags were associated with an increased probability of underlying serious spinal pathology, e.g., recent trauma and an age of >50 years were associated with vertebral fracture. The presence or absence of other red flags, such as night pain, was unrelated to any particular diagnosis. For instance, for patients with no recent history of infection and no fever, chills, or sweating, the presence of night pain was a false-positive finding for infection >96% of the time. In general, the absence of red flag responses did not meaningfully decrease the likelihood of a red flag diagnosis; 64% of patients with spinal malignancy had no associated red flags. While a positive response to a red flag question may indicate the presence of serious disease, a negative response to 1 or 2 red flag questions does not meaningfully decrease the likelihood of a red flag diagnosis. Clinicians should use caution when utilizing red flag questions as screening tools.

  1. A Preliminary Assessment of the SURF Reactive Burn Model Implementation in FLAG

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Johnson, Carl Edward; McCombe, Ryan Patrick; Carver, Kyle

    Properly validated and calibrated reactive burn models (RBM) can be useful engineering tools for assessing high explosive performance and safety. Experiments with high explosives are expensive. Inexpensive RBM calculations are increasingly relied on for predictive analysis for performance and safety. This report discusses the validation of Menikoff and Shaw’s SURF reactive burn model, which has recently been implemented in the FLAG code. The LANL Gapstick experiment is discussed as is its’ utility in reactive burn model validation. Data obtained from pRad for the LT-63 series is also presented along with FLAG simulations using SURF for both PBX 9501 and PBXmore » 9502. Calibration parameters for both explosives are presented.« less

  2. Ground squirrel tail-flag displays alter both predatory strike and ambush site selection behaviours of rattlesnakes.

    PubMed

    Barbour, Matthew A; Clark, Rulon W

    2012-09-22

    Many species approach, inspect and signal towards their predators. These behaviours are often interpreted as predator-deterrent signals--honest signals that indicate to a predator that continued hunting is likely to be futile. However, many of these putative predator-deterrent signals are given when no predator is present, and it remains unclear if and why such signals deter predators. We examined the effects of one such signal, the tail-flag display of California ground squirrels, which is frequently given both during and outside direct encounters with northern Pacific rattlesnakes. We video-recorded and quantified the ambush foraging responses of rattlesnakes to tail-flagging displays from ground squirrels. We found that tail-flagging deterred snakes from striking squirrels, most likely by advertising squirrel vigilance (i.e. readiness to dodge a snake strike). We also found that tail-flagging by adult squirrels increased the likelihood that snakes would leave their ambush site, apparently by elevating the vigilance of nearby squirrels which reduces the profitability of the ambush site. Our results provide some of the first empirical evidence of the mechanisms by which a prey display, although frequently given in the absence of a predator, may still deter predators during encounters.

  3. 14 CFR 121.687 - Dispatch release: Flag and domestic operations.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 3 2014-01-01 2014-01-01 false Dispatch release: Flag and domestic operations. 121.687 Section 121.687 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF...) The dispatch release must contain, or have attached to it, weather reports, available weather...

  4. 14 CFR 121.687 - Dispatch release: Flag and domestic operations.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 3 2013-01-01 2013-01-01 false Dispatch release: Flag and domestic operations. 121.687 Section 121.687 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF...) The dispatch release must contain, or have attached to it, weather reports, available weather...

  5. 14 CFR 121.687 - Dispatch release: Flag and domestic operations.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 3 2012-01-01 2012-01-01 false Dispatch release: Flag and domestic operations. 121.687 Section 121.687 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF...) The dispatch release must contain, or have attached to it, weather reports, available weather...

  6. 14 CFR 121.687 - Dispatch release: Flag and domestic operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Dispatch release: Flag and domestic operations. 121.687 Section 121.687 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF...) The dispatch release must contain, or have attached to it, weather reports, available weather...

  7. 14 CFR 121.687 - Dispatch release: Flag and domestic operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Dispatch release: Flag and domestic operations. 121.687 Section 121.687 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF...) The dispatch release must contain, or have attached to it, weather reports, available weather...

  8. Combined Diffraction and Density Functional Theory Calculations of Halogen-Bonded Cocrystal Monolayers

    PubMed Central

    2013-01-01

    This work describes the combined use of synchrotron X-ray diffraction and density functional theory (DFT) calculations to understand the cocrystal formation or phase separation in 2D monolayers capable of halogen bonding. The solid monolayer structure of 1,4-diiodobenzene (DIB) has been determined by X-ray synchrotron diffraction. The mixing behavior of DIB with 4,4′-bipyridyl (BPY) has also been studied and interestingly is found to phase-separate rather than form a cocrystal, as observed in the bulk. DFT calculations are used to establish the underlying origin of this interesting behavior. The DFT calculations are demonstrated to agree well with the recently proposed monolayer structure for the cocrystal of BPY and 1,4-diiodotetrafluorobenzene (DITFB) (the perfluorinated analogue of DIB), where halogen bonding has also been identified by diffraction. Here we have calculated an estimate of the halogen bond strength by DFT calculations for the DITFB/BPY cocrystal monolayer, which is found to be ∼20 kJ/mol. Computationally, we find that the nonfluorinated DIB and BPY are not expected to form a halogen-bonded cocrystal in a 2D layer; for this pair of species, phase separation of the components is calculated to be lower energy, in good agreement with the diffraction results. PMID:24215390

  9. Combined diffraction and density functional theory calculations of halogen-bonded cocrystal monolayers.

    PubMed

    Sacchi, Marco; Brewer, Adam Y; Jenkins, Stephen J; Parker, Julia E; Friščić, Tomislav; Clarke, Stuart M

    2013-12-03

    This work describes the combined use of synchrotron X-ray diffraction and density functional theory (DFT) calculations to understand the cocrystal formation or phase separation in 2D monolayers capable of halogen bonding. The solid monolayer structure of 1,4-diiodobenzene (DIB) has been determined by X-ray synchrotron diffraction. The mixing behavior of DIB with 4,4'-bipyridyl (BPY) has also been studied and interestingly is found to phase-separate rather than form a cocrystal, as observed in the bulk. DFT calculations are used to establish the underlying origin of this interesting behavior. The DFT calculations are demonstrated to agree well with the recently proposed monolayer structure for the cocrystal of BPY and 1,4-diiodotetrafluorobenzene (DITFB) (the perfluorinated analogue of DIB), where halogen bonding has also been identified by diffraction. Here we have calculated an estimate of the halogen bond strength by DFT calculations for the DITFB/BPY cocrystal monolayer, which is found to be ∼20 kJ/mol. Computationally, we find that the nonfluorinated DIB and BPY are not expected to form a halogen-bonded cocrystal in a 2D layer; for this pair of species, phase separation of the components is calculated to be lower energy, in good agreement with the diffraction results.

  10. 40 CFR 721.8700 - Halogenated alkyl pyridine.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8700 Halogenated alkyl pyridine. (a) Chemical substances and significant new uses subject to... subject to reporting under this section for the significant new uses described in paragraph (a)(1)(i) of...

  11. 40 CFR 721.8700 - Halogenated alkyl pyridine.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant New Uses for Specific Chemical Substances § 721.8700 Halogenated alkyl pyridine. (a) Chemical substances and significant new uses subject to... subject to reporting under this section for the significant new uses described in paragraph (a)(1)(i) of...

  12. Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand

    NASA Astrophysics Data System (ADS)

    Li, Jin-Feng; Sun, Yin-Yin; Bai, Hongcun; Li, Miao-Miao; Li, Jian-Li; Yin, Bing

    2015-06-01

    The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M2(CN)5]-1 (M = Ca, Be) clusters. At CCSD(T) level, these clusters have been confirmed to be superhalogens due to their high vertical electron detachment energies (VDE). The largest one is 9.70 eV for [Ca2(CN)5]-1 which is even higher than those of corresponding traditional structures based on fluorine or chlorine ligands. Therefore the superhalogens stronger than the traditional halogen-based structures could be realized by ligands other than halogen atoms. Compared with CCSD(T), outer valence Green's function (OVGF) method either overestimates or underestimates the VDEs for different structures while MP2 results are generally consistent in the aspect of relative values. The extra electrons of the highest VDE anions here aggregate on the bridging CN units with non-negligible distribution occurring on other CN units too. These two features lower both the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to the detachment of cyanide ligand were also investigated. The sum of these results identifies the potential of polynuclear structures with pseudohalogen ligand as suitable candidates with enhanced superhalogens properties.

  13. Sensitivity of Tropospheric Chemical Composition to Halogen-Radical Chemistry Using a Fully Coupled Size-Resolved Multiphase Chemistry-Global Climate System: Halogen Distributions, Aerosol Composition, and Sensitivity of Climate-Relevant Gases

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Long, M.; Keene, W. C.; Easter, Richard C.

    Observations and model studies suggest a significant but highly non-linear role for halogens, primarily Cl and Br, in multiphase atmospheric processes relevant to tropospheric chemistry and composition, aerosol evolution, radiative transfer, weather, and climate. The sensitivity of global atmospheric chemistry to the production of marine aerosol and the associated activation and cycling of inorganic Cl and Br was tested using a size-resolved multiphase coupled chemistry/global climate model (National Center for Atmospheric Research’s Community Atmosphere Model (CAM); v3.6.33). Simulation results showed strong meridional and vertical gradients in Cl and Br species. The simulation reproduced most available observations with reasonable confidence permittingmore » the formulation of potential mechanisms for several previously unexplained halogen phenomena including the enrichment of Br- in submicron aerosol, and the presence of a BrO maximum in the polar free troposphere. However, simulated total volatile Br mixing ratios were generally high in the troposphere. Br in the stratosphere was lower than observed due to the lack of long-lived organobromine species in the simulation. Comparing simulations using chemical mechanisms with and without reactive Cl and Br species demonstrated a significant temporal and spatial sensitivity of primary atmospheric oxidants (O3, HOx, NOx), CH4, and non-methane hydrocarbons (NMHC’s) to halogen cycling. Simulated O3 and NOx were globally lower (65% and 35%, respectively, less in the planetary boundary layer based on median values) in simulations that included halogens. Globally, little impact was seen in SO2 and non-sea-salt SO42- processing due to halogens. Significant regional differences were evident: The lifetime of nss-SO42- was extended downwind of large sources of SO2. The burden and lifetime of DMS (and its oxidation products) were lower by a factor of 5 in simulations that included halogens, versus those without, leading

  14. 76 FR 20080 - Inventory of U.S.-Flag Launch Barges

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-11

    ... DEPARTMENT OF TRANSPORTATION Maritime Administration [Docket Number MARAD 2011 0030] Inventory of...: Inventory of U.S.-Flag Launch Barges. SUMMARY: The Maritime Administration is updating its inventory of U.S..._program/Launch_Barge_Program.htm . DATES: Any comments on this inventory should be submitted in writing to...

  15. Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms.

    PubMed

    Carter, Korey P; Kalaj, Mark; Surbella, Robert G; Ducati, Lucas C; Autschbach, Jochen; Cahill, Christopher L

    2017-11-02

    Engaging the nominally terminal oxo atoms of the linear uranyl (UO 2 2+ ) cation in non-covalent interactions represents both a significant challenge and opportunity within the field of actinide hybrid materials. An approach has been developed for promoting oxo atom participation in a range of non-covalent interactions, through judicious choice of electron donating equatorial ligands and appropriately polarizable halogen-donor atoms. As such, a family of uranyl hybrid materials was generated based on a combination of 2,5-dihalobenzoic acid and aromatic, chelating N-donor ligands. Delineation of criteria for oxo participation in halogen bonding interactions has been achieved by preparing materials containing 2,5-dichloro- (25diClBA) and 2,5-dibromobenzoic acid (25diBrBA) coupled with 2,2'-bipyridine (bipy) (1 and 2), 1,10-phenanthroline (phen) (3-5), 2,2':6',2''-terpyridine (terpy) (6-8), or 4'-chloro-2,2':6',2''-terpyridine (Cl-terpy) (9-10), which have been characterized through single crystal X-ray diffraction, Raman, Infrared (IR), and luminescence spectroscopy, as well as through density functional calculations of electrostatic potentials. Looking comprehensively, these results are compared with recently published analogues featuring 2,5-diiodobenzoic acid which indicate that although inclusion of a capping ligand in the uranyl first coordination sphere is important, it is the polarizability of the selected halogen atom that ultimately drives halogen bonding interactions with the uranyl oxo atoms. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Organic Halogen and Related Trace Gases in the Tropical Atmosphere: Results from Recent Airborne Campaigns Over the Pacific

    NASA Astrophysics Data System (ADS)

    Atlas, E. L.; Navarro, M. A.; Donets, V.; Schauffler, S.; Lueb, R.; Hendershot, R.; Gabbard, S.; Hornbrook, R. S.; Apel, E. C.; Riemer, D. D.; Pan, L.; Salawitch, R. J.; Nicely, J. M.; Montzka, S. A.; Miller, B.; Moore, F. L.; Elkins, J. W.; Hintsa, E. J.; Campos, T. L.; Quack, B.; Zhu, X.; Pope, L.

    2014-12-01

    Organic halogen gases, especially containing bromine and iodine, play a significant role as precursors to active halogen chemistry and ozone catalytic loss. Much of the reactive organic halogen originates from biological processes in the surface ocean, which can be quite variable by season and location. The tropics and coastal margins are potentially important sources that are being examined. The recent coordinated CONTRAST/ATTREX/CAST missions were conducted in the Western Tropical Pacific, a region that is a major transport pathway for tropospheric air entering the stratosphere. One of the goals of the missions was to identify sources, distributions, and transport of organic halogens from the ocean surface into the tropical lower stratosphere. The missions were conducted during the NH winter season, Jan-Feb, 2014. In this presentation, we will discuss the distributions and variability of organic halogen gases in the study region and will examine the input of organic halogen species into the Tropical Tropopause Layer (TTL). Comparison with other tracers, such as methyl nitrate and NMHC, will help identify source regions for these gases. We will focus on the measurements obtained in the CONTRAST and ATTREX missions with data from in-situ GC/MS measurements and whole air samples collected on the NSF GV and NASA Global Hawk aircraft. Comparisons with other recent airborne campaigns, such as HIPPO and TC4, and with several ship-based studies will provide an additional context for evaluating the variability of organic halogen species in the tropical atmosphere and their role in transporting reactive halogen compounds into the UT/LS.

  17. Impact of enhanced ozone deposition and halogen chemistry on tropospheric ozone over the Northern Hemisphere

    EPA Science Inventory

    Fate of ozone in marine environments has been receiving increased attention due to the tightening of ambient air quality standards. The role of deposition and halogen chemistry is examined through incorporation of an enhanced ozone deposition algorithm and inclusion of halogen ch...

  18. Comparing colour discrimination and proofreading performance under compact fluorescent and halogen lamp lighting.

    PubMed

    Mayr, Susanne; Köpper, Maja; Buchner, Axel

    2013-01-01

    Legislation in many countries has banned inefficient household lighting. Consequently, classic incandescent lamps have to be replaced by more efficient alternatives such as halogen and compact fluorescent lamps (CFL). Alternatives differ in their spectral power distributions, implying colour-rendering differences. Participants performed a colour discrimination task - the Farnsworth-Munsell 100 Hue Test--and a proofreading task under CFL or halogen lighting of comparable correlated colour temperatures at low (70 lx) or high (800 lx) illuminance. Illuminance positively affected colour discrimination and proofreading performance, whereas the light source was only relevant for colour discrimination. Discrimination was impaired with CFL lighting. There were no differences between light sources in terms of self-reported physical discomfort and mood state, but the majority of the participants correctly judged halogen lighting to be more appropriate for discriminating colours. The findings hint at the colour-rendering deficiencies associated with energy-efficient CFLs. In order to compare performance under energy-efficient alternatives of classic incandescent lighting, colour discrimination and proofreading performance was compared under CFL and halogen lighting. Colour discrimination was impaired under CFLs, which hints at the practical drawbacks associated with the reduced colour-rendering properties of energy-efficient CFLs.

  19. Extensive halogen-mediated ozone destruction over the tropical Atlantic Ocean.

    PubMed

    Read, Katie A; Mahajan, Anoop S; Carpenter, Lucy J; Evans, Mathew J; Faria, Bruno V E; Heard, Dwayne E; Hopkins, James R; Lee, James D; Moller, Sarah J; Lewis, Alastair C; Mendes, Luis; McQuaid, James B; Oetjen, Hilke; Saiz-Lopez, Alfonso; Pilling, Michael J; Plane, John M C

    2008-06-26

    Increasing tropospheric ozone levels over the past 150 years have led to a significant climate perturbation; the prediction of future trends in tropospheric ozone will require a full understanding of both its precursor emissions and its destruction processes. A large proportion of tropospheric ozone loss occurs in the tropical marine boundary layer and is thought to be driven primarily by high ozone photolysis rates in the presence of high concentrations of water vapour. A further reduction in the tropospheric ozone burden through bromine and iodine emitted from open-ocean marine sources has been postulated by numerical models, but thus far has not been verified by observations. Here we report eight months of spectroscopic measurements at the Cape Verde Observatory indicative of the ubiquitous daytime presence of bromine monoxide and iodine monoxide in the tropical marine boundary layer. A year-round data set of co-located in situ surface trace gas measurements made in conjunction with low-level aircraft observations shows that the mean daily observed ozone loss is approximately 50 per cent greater than that simulated by a global chemistry model using a classical photochemistry scheme that excludes halogen chemistry. We perform box model calculations that indicate that the observed halogen concentrations induce the extra ozone loss required for the models to match observations. Our results show that halogen chemistry has a significant and extensive influence on photochemical ozone loss in the tropical Atlantic Ocean boundary layer. The omission of halogen sources and their chemistry in atmospheric models may lead to significant errors in calculations of global ozone budgets, tropospheric oxidizing capacity and methane oxidation rates, both historically and in the future.

  20. Virucidal properties of metal oxide nanoparticles and their halogen adducts.

    PubMed

    Häggström, Johanna; Balyozova, Denitza; Klabunde, Kenneth J; Marchin, George

    2010-04-01

    Selected metal oxide nanoparticles are capable of strongly adsorbing large amounts of halogens (Cl(2), Br, I(2)) and mixed halogens. These solid adducts are relatively stable thermally, and they can be stored for long periods. However, in the open environment, they are potent biocides. Herein are described studies with a number of bacteriophage MS2, phiX174, and PRD-1 (virus examples). PRD-1 is generally more resistant to chemical disinfection, but in this paper it is shown to be very susceptible to selected interhalogen and iodine adducts of CeO(2), Al(2)O(3), and TiO(2) nanoparticles. Overall, the halogen adducts of TiO(2) and Al(2)O(3) were most effective. The mechanism of disinfection by these nanoparticles is not completely clear, but could include abrasive properties, as well as oxidative powers. A hypothesis that nanoparticles damage virons or stick to them and prevent binding to the host cell is a consideration that needs to be explored. Herein are reported comparative biocidal activities of a series of adducts and electron microscope images of before and after treatment.

  1. Importance of reactive halogens in the tropical marine atmosphere using WRF-chem

    NASA Astrophysics Data System (ADS)

    Badia, Alba; Reeves, Claire E.; Baker, Alex; Volkamer, Rainer; Apel, Eric; Saiz-Lopez, Alfonso; von Glasow, Roland

    2017-04-01

    Halogen species (chlorine, bromine and iodine) are known to play an important role in the chemistry and oxidizing capacity of the troposphere, particularly in the marine boundary layer (MBL). Reactive halogens participate in catalytic reaction cycles that efficiently destroy O3, change the HOX and NOX partitioning, affect the oxidation of volatile organic compounds (VOCs) and mercury, reduce the lifetime of methane, and take part in new particle formation. Numerical models predicted that reactive halogen compounds account for 30% of O3 destruction in the MBL and 5-20% globally. Up to 34% of O3 loss in the tropical East Pacific is due to I and Br combined. Recent studies have highlighted the key role that heterogeneous chemistry plays in explaining observations of BrO and IO abundances in the tropical troposphere. The main objective of this study is to investigate the atmospheric chemistry in the tropical East Pacific with a focus on reactive halogens using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) and field data from the TORERO campaign. Our reaction mechanism in WRF-Chem is based on the MOZART mechanism and has been extended to include bromine, chlorine and iodine chemistry. Heterogeneous recycling reactions involving sea-salt aerosol and other particles have been included into the model, along with oceanic emissions of important OVOCs and halocarbons. Sea surface emissions of inorganic iodine are calculated using the parameterisation of Carpenter et al., 2013. Focusing on TORERO observations from the ships and a selected number of flights we present the tropospheric impacts of halogens (BrO, IO) in the tropospheric chemistry of relevant species (O3, OH and OVOCS). Sensitivity runs are made in order to study the impact of heterogeneous chemistry in the iodine and bromine species partitioning. A comparison between the online calculation of Very Short Lived Halocarbons (VSLH) oceanic emissions with prescribed oceanic emissions is

  2. Unexpected autumnal halogen activity in the lower troposphere at Neumayer III/Antarctica

    NASA Astrophysics Data System (ADS)

    Nasse, Jan-Marcus; Frieß, Udo; Pöhler, Denis; Schmitt, Stefan; Weller, Rolf; Schaefer, Thomas; Platt, Ulrich

    2017-04-01

    The influence of Reactive Halogen Species (RHS, like IO, BrO, ClO, etc.) on the lower polar troposphere has been subject of intense research for several decades. Ozone Depletion Events (ODEs) caused by the catalytic reaction of tropospheric ozone with inorganic halogen species or the oxidation of gaseous elemental mercury are well observed phenomena that occur during the respective springtime in both Arctic and Antarctica. Chlorine atoms also react more efficiently with hydrocarbons than e.g. OH radicals and all reactive halogen species can furthermore influence the atmospheric sulphur or nitrate cycles. While an autocatalytic release mechanism from salty surfaces, the so called bromine explosion, has been identified to rapidly increase inorganic bromine mixing ratios many aspects of atmospheric halogen chemistry in polar regions remains unclear. Since January 2016, we are operating an active Long Path DOAS instrument at Neumayer III on the Antarctic Ekström shelf ice designed for autonomous measurements. This instrument is able to detect a wide range of trace gases absorbing in the UV/Vis including ClO, BrO, OClO, IO, I2, OIO, ozone, NO2, H2O, O4, and SO2 at a temporal resolution of 5-30 minutes. The analysis of the first year of observations shows several surprising findings which give new insights into polar halogen chemistry. E.g. we observe surprisingly strong bromine activity in late summer and autumn (in addition to well-known springtime events) with mixing ratios often higher than 20 pptv. We could even observe peak mixing ratios of 110 pptv. The observed BrO levels could be the result of local/regional chemistry rather than long-range transport and modulated by the stability of the boundary layer. Also, there are hints for NOx - driven halogen activation. Furthermore, chlorine monoxide (ClO) and OClO mixing ratios of several ten pptv could be detected on a number of days, however the source mechanism for reactive chlorine remains unclear. We will give an

  3. Modifying Flag Football for Gender Equitable Engagement in Secondary Schools

    ERIC Educational Resources Information Center

    Kahan, David

    2008-01-01

    Flag or touch football is a popular activity unit in American secondary physical education curricula. However, unlike other sports its stigmatization as a masculine-typed activity and frequent inequitable distribution of game play opportunities at the skill positions (e.g., receiver, quarterback) results in the marginalization of female…

  4. 46 CFR 154.15 - U.S. flag vessel: Endorsement application.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false U.S. flag vessel: Endorsement application. 154.15 Section 154.15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.15 U.S...

  5. 46 CFR 153.16 - Requirements for foreign flag vessel permits.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false Requirements for foreign flag vessel permits. 153.16 Section 153.16 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS General § 153.16...

  6. 46 CFR 154.15 - U.S. flag vessel: Endorsement application.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false U.S. flag vessel: Endorsement application. 154.15 Section 154.15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.15 U.S...

  7. 46 CFR 154.15 - U.S. flag vessel: Endorsement application.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false U.S. flag vessel: Endorsement application. 154.15 Section 154.15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.15 U.S...

  8. 46 CFR 153.16 - Requirements for foreign flag vessel permits.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 5 2011-10-01 2011-10-01 false Requirements for foreign flag vessel permits. 153.16 Section 153.16 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS General § 153.16...

  9. 46 CFR 154.15 - U.S. flag vessel: Endorsement application.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 5 2012-10-01 2012-10-01 false U.S. flag vessel: Endorsement application. 154.15 Section 154.15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.15 U.S...

  10. 46 CFR 154.15 - U.S. flag vessel: Endorsement application.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false U.S. flag vessel: Endorsement application. 154.15 Section 154.15 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.15 U.S...

  11. 46 CFR 153.16 - Requirements for foreign flag vessel permits.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 5 2013-10-01 2013-10-01 false Requirements for foreign flag vessel permits. 153.16 Section 153.16 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS General § 153.16...

  12. 46 CFR 153.16 - Requirements for foreign flag vessel permits.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 5 2010-10-01 2010-10-01 false Requirements for foreign flag vessel permits. 153.16 Section 153.16 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS General § 153.16...

  13. 46 CFR 153.16 - Requirements for foreign flag vessel permits.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 5 2014-10-01 2014-10-01 false Requirements for foreign flag vessel permits. 153.16 Section 153.16 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SHIPS CARRYING BULK LIQUID, LIQUEFIED GAS, OR COMPRESSED GAS HAZARDOUS MATERIALS General § 153.16...

  14. Chalcogen- and halogen-bonds involving SX2 (X = F, Cl, and Br) with formaldehyde.

    PubMed

    Mo, Lixin; Zeng, Yanli; Li, Xiaoyan; Zhang, Xueying; Meng, Lingpeng

    2016-07-01

    The capacity of SX2 (X = F, Cl, and Br) to engage in different kinds of noncovalent bonds was investigated by ab initio calculations. SCl2 (SBr2) has two σ-holes upon extension of Cl (Br)-S bonds, and two σ-holes upon extension of S-Cl (Br) bonds. SF2 contains only two σ-holes upon extension of the F-S bond. Consequently, SCl2 and SBr2 form chalcogen and halogen bonds with the electron donor H2CO while SF2 forms only a chalcogen bond, i.e., no F···O halogen bond was found in the SF2:H2CO complex. The S···O chalcogen bond between SF2 and H2CO is the strongest, while the strongest halogen bond is Br···O between SBr2 and H2CO. The nature of these two types of noncovalent interaction was probed by a variety of methods, including molecular electrostatic potentials, QTAIM, energy decomposition, and electron density shift maps. Termolecular complexes X2S···H2CO···SX'2 (X = F, Cl, Br, and X' = Cl, Br) were constructed to study the interplay between chalcogen bonds and halogen bonds. All these complexes contained S···O and Cl (Br)···O bonds, with longer intermolecular distances, smaller values of electron density, and more positive three-body interaction energies, indicating negative cooperativity between the chalcogen bond and the halogen bond. In addition, for all complexes studied, interactions involving chalcogen bonds were more favorable than those involving halogen bonds. Graphical Abstract Molecular electrostatic potential and contour map of the Laplacian of the electron density in Cl2S···H2CO···SCl2 complex.

  15. Ground squirrel tail-flag displays alter both predatory strike and ambush site selection behaviours of rattlesnakes

    PubMed Central

    Barbour, Matthew A.; Clark, Rulon W.

    2012-01-01

    Many species approach, inspect and signal towards their predators. These behaviours are often interpreted as predator-deterrent signals—honest signals that indicate to a predator that continued hunting is likely to be futile. However, many of these putative predator-deterrent signals are given when no predator is present, and it remains unclear if and why such signals deter predators. We examined the effects of one such signal, the tail-flag display of California ground squirrels, which is frequently given both during and outside direct encounters with northern Pacific rattlesnakes. We video-recorded and quantified the ambush foraging responses of rattlesnakes to tail-flagging displays from ground squirrels. We found that tail-flagging deterred snakes from striking squirrels, most likely by advertising squirrel vigilance (i.e. readiness to dodge a snake strike). We also found that tail-flagging by adult squirrels increased the likelihood that snakes would leave their ambush site, apparently by elevating the vigilance of nearby squirrels which reduces the profitability of the ambush site. Our results provide some of the first empirical evidence of the mechanisms by which a prey display, although frequently given in the absence of a predator, may still deter predators during encounters. PMID:22787023

  16. Rapid and reliable determination of the halogenating peroxidase activity in blood samples.

    PubMed

    Flemmig, Jörg; Schwarz, Pauline; Bäcker, Ingo; Leichsenring, Anna; Lange, Franziska; Arnhold, Jürgen

    2014-12-15

    By combining easy and fast leukocyte enrichment with aminophenyl-fluorescein (APF) staining we developed a method to quickly and specifically address the halogenating activity of the immunological relevant blood heme peroxidases myeloperoxidase and eosinophil peroxidase, respectively. For leukocyte enrichment a two-fold hypotonic lysis procedure of the blood with Millipore water was chosen which represents a cheap, fast and reliable method to diminish the amount of erythrocytes in the samples. This procedure is shown to be suitable both to human and murine blood micro-samples, making it also applicable to small animal experiments with recurring blood sampling. As all types of leukocytes are kept in the sample during the preparation, they can be analysed separately after discrimination during the flow cytometry analysis. This also holds for all heme peroxidase-containing cells, namely neutrophils, eosinophils and monocytes. Moreover additional parameters (e.g. antibody staining) can be combined with the heme peroxidase activity determination to gain additional information about the different immune cell types. Based on previous results we applied APF for specifically addressing the halogenating activity of leukocyte peroxidases in blood samples. This dye is selectively oxidized by the MPO and EPO halogenation products hypochlorous and hypobromous acid. This approach may provide a suitable tool to gain more insights into the immune-physiological role of the halogenating activity of heme peroxidases. Copyright © 2014 Elsevier B.V. All rights reserved.

  17. Soccer; Speedball; Flag Football, June 1976--June 1978. NAGWS Guide.

    ERIC Educational Resources Information Center

    Messing, Anne, Ed.; And Others

    This guide for soccer, speedball, and flag football is one in a series of guides for 22 sports published by the National Association for Girls and Women in Sport (NAGWS). Guides contain information on NAGWS-approved playing rules, officials' ratings, articles on teaching, coaching and organization, rules governing national championships,…

  18. Halogenated Peptides as Internal Standards (H-PINS)

    PubMed Central

    Mirzaei, Hamid; Brusniak, Mi-Youn; Mueller, Lukas N.; Letarte, Simon; Watts, Julian D.; Aebersold, Ruedi

    2009-01-01

    As the application for quantitative proteomics in the life sciences has grown in recent years, so has the need for more robust and generally applicable methods for quality control and calibration. The reliability of quantitative proteomics is tightly linked to the reproducibility and stability of the analytical platforms, which are typically multicomponent (e.g. sample preparation, multistep separations, and mass spectrometry) with individual components contributing unequally to the overall system reproducibility. Variations in quantitative accuracy are thus inevitable, and quality control and calibration become essential for the assessment of the quality of the analyses themselves. Toward this end, the use of internal standards cannot only assist in the detection and removal of outlier data acquired by an irreproducible system (quality control) but can also be used for detection of changes in instruments for their subsequent performance and calibration. Here we introduce a set of halogenated peptides as internal standards. The peptides are custom designed to have properties suitable for various quality control assessments, data calibration, and normalization processes. The unique isotope distribution of halogenated peptides makes their mass spectral detection easy and unambiguous when spiked into complex peptide mixtures. In addition, they were designed to elute sequentially over an entire aqueous to organic LC gradient and to have m/z values within the commonly scanned mass range (300–1800 Da). In a series of experiments in which these peptides were spiked into an enriched N-glycosite peptide fraction (i.e. from formerly N-glycosylated intact proteins in their deglycosylated form) isolated from human plasma, we show the utility and performance of these halogenated peptides for sample preparation and LC injection quality control as well as for retention time and mass calibration. Further use of the peptides for signal intensity normalization and retention time

  19. Syntheses of halogen derivatives of L-tryptophan, L-tyrosine and L-phenylalanine labeled with hydrogen isotopes.

    PubMed

    Pająk, Małgorzata; Pałka, Katarzyna; Winnicka, Elżbieta; Kańska, Marianna

    2016-01-01

    Halogenated, labeled with tritium and doubly with deuterium and tritium, derivatives of L-tryptophan, i.e. 5'-bromo-[2-(3)H]-, 5'-bromo-[2-(2)H/(3)H]-, 5'-fluoro-[2-(3)H]-5'-fluoro-[2-(2)H/(3)H]-, 6'-fluoro-[2-(3)H]-, 6'-fluoro-[2-(2)H/(3)H]-L-tryptophan, as well as, L-tyrosine, i.e. 3'-fluoro-[2-(3)H]-, 3'-fluoro-[2-(2)H/(3)H]-, 3'-chloro-[2-(3)H]-, and 3'-chloro-[2-(2)H/(3)H]-L-tyrosine, and also L-phenylalanine, i.e. 2'-fluoro-[(3S)-(3)H]-, 2'-fluoro-[(3S)-(2)H/(3) H]-, 2'-chloro-[(3S)-(3)H]-, 2'-chloro-[(3S)-(2)H/(3)H]-, 4'-chloro-[(3S)-(3)H]-, and 4'-chloro-[(3S)-(2)H/(3)H]-L-phenylalanine were synthesized using enzymatic methods. Isotopomers of L-tryptophan were synthesized by coupling of halogenated indoles with S-methyl-L-cysteine carried out in deuteriated or tritiated incubation media. Labeled halogenated derivatives of L-tyrosine were obtained by the enzymatically supported exchange between halogenated L-tyrosine and isotopic water. Labeled halogenated isotopologues of L-Phe were synthesized by the enzymatic addition of ammonia to halogenated cinnamic acid. As a source of hydrogen tritiated water (HTO) and heavy water (D2O) with addition of HTO were used. Copyright © 2015 John Wiley & Sons, Ltd.

  20. Comparison of halogen, plasma and LED curing units.

    PubMed

    Nomoto, Rie; McCabe, John F; Hirano, Susumu

    2004-01-01

    This study evaluated the characteristics of two kinds of recently developed light-curing unit; plasma arc and blue light emitting diodes (LED), in comparison with a conventional tungsten-halogen light-curing unit. The light intensity and spectral distribution of light from these light-curing units, the temperature rise of the bovine enamel surface and the depth of cure of composites exposed to each unit were investigated. The light intensity and depth of cure were determined according to ISO standards. The spectral distributions of emitted light were measured using a spectro-radiometer. The temperature increase induced by irradiation was measured by using a thermocouple. Generally, light intensities in the range 400-515 nm emitted from the plasma arc were greater than those from other types. Light in the UV-A region was emitted from some plasma arc units. The required irradiation times were six to nine seconds for the plasma arc units and 40 to 60 seconds for the LED units to create a depth of cure equal to that produced by the tungsten-halogen light with 20 seconds of irradiation. The temperature increased by increasing the irradiation time for every light-curing unit. The temperature increases were 15 degrees C to 60 degrees C for plasma arc units, around 15 degrees C for a conventional halogen unit and under 10 degrees C for LED units. Both the plasma arc and LED units required longer irradiation times than those recommended by their respective manufacturers. Clinicians should be aware of potential thermal rise and UV-A hazard when using plasma arc units.

  1. Are superhalogens without halogen ligand capable of transcending traditional halogen-based superhalogens? Ab initio case study of binuclear anions based on pseudohalogen ligand

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Jin-Feng; Sun, Yin-Yin; Li, Miao-Miao

    2015-06-15

    The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M{sub 2}(CN){sub 5}]{sup −1} (M =  Ca, Be) clusters. At CCSD(T) level, these clusters have been confirmed to be superhalogens due to their high vertical electron detachment energies (VDE). The largest one is 9.70 eV for [Ca{sub 2}(CN){sub 5}]{sup −1} which is even higher than those of corresponding traditional structures based on fluorine or chlorine ligands. Therefore the superhalogens stronger than the traditional halogen-based structures could be realized by ligands other than halogen atoms. Compared with CCSD(T), outer valence Green’s function (OVGF) method either overestimatesmore » or underestimates the VDEs for different structures while MP2 results are generally consistent in the aspect of relative values. The extra electrons of the highest VDE anions here aggregate on the bridging CN units with non-negligible distribution occurring on other CN units too. These two features lower both the potential and kinetic energies of the extra electron respectively and thus lead to high VDE. Besides superhalogen properties, the structures, relative stabilities and thermodynamic stabilities with respect to the detachment of cyanide ligand were also investigated. The sum of these results identifies the potential of polynuclear structures with pseudohalogen ligand as suitable candidates with enhanced superhalogens properties.« less

  2. Effect of halogenated impurities on lifetime of organic light emitting diode

    NASA Astrophysics Data System (ADS)

    Yamawaki, Hayato; Suzuki, Kunihiko; Kubota, Tomohiro; Watabe, Takeyoshi; Ishigaki, Ayumi; Nakamura, Rina; Inoue, Hideko; Nakashima, Harue; Horikoshi, Nozomi; Nowatari, Hiromi; Kataishi, Riho; Hamada, Toshiki; Sasaki, Toshiki; Suzuki, Tsunenori; Seo, Satoshi

    2016-09-01

    We investigated a correlation between lifetime and the halogen element concentration in an organic light-emitting diode (OLED) and conducted experiments and simulations to discuss degradation mechanisms due to the halogen. OELD is generally formed of high-purity materials. Since the synthesis of high-purity materials takes time and cost, quantitative understanding of the kind, amount, and influence of impurities in OLED devices is expected. The results of combustion ion chromatography show that, if the chlorine concentration in the host material is more than several parts per million, the lifetime of the device is drastically reduced. The chlorine element, which is derived from the chlorinated by-product of the host material, is found to be transferred from the chloride to other materials (e.g., an emissive dopant) according to the results of LC-MS analysis. In addition, the electron transport layer including such impurities is also found to adversely affect the lifetime. The results of TOF-SIMS analysis suggest that the dissociated chlorine element diffuse to the light-emitting layer side when the device is driven. The results of simulations (Gaussian 09) and electrochemical analyses (cyclic voltammetry and electrolysis) reveal that the halogen element is easy to dissociate from halide by excitation or reduction. The halogen element can repeat reactions with the peripheral materials by excitation or reduction and cause damages, e.g., generate radicals or further reaction products due to the radicals. The results of simulation suggest that, such compounds have low energy level and become quenchers.

  3. Volatile halogenated hydrocarbons in foods

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Miyahara, Makoto; Toyoda, Masatake; Saito, Yukio

    1995-02-01

    Volatile halogenated organic compounds were determined in foods. Statistical treatment of the data for 13 sampled from 20 families living in suburban Tokyo (Saitama prefecture) indicated that the foods were contaminated by water pollution and/or substances introduced by the process of food production. Butter and margarine were contaminated by chlorinated ethylene, ethane, and related compounds released by dry cleaning and other operations. Soybean sprouts and tofu (soybean curd) contained chloroform and related trihalomethanes absorbed during the production process. 27 refs., 6 figs., 5 tabs.

  4. Astronaut James Irwin gives salute beside U.S. flag during EVA

    NASA Image and Video Library

    1971-08-01

    AS15-88-11866 (1 Aug. 1971) --- Astronaut James B. Irwin, lunar module pilot, gives a military salute while standing beside the deployed United States flag during the Apollo 15 lunar surface extravehicular activity (EVA) at the Hadley-Apennine landing site. The flag was deployed toward the end of EVA-2. The Lunar Module (LM) "Falcon" is in the center. On the right is the Lunar Roving Vehicle (LRV). This view is looking almost due south. Hadley Delta in the background rises approximately 4,000 meters (about 13,124 feet) above the plain. The base of the mountain is approximately 5 kilometers (about 3 statute miles) away. This photograph was taken by astronaut David R. Scott, Apollo 15 commander. While astronauts Scott and Irwin descended in the LM to explore the moon, astronaut Alfred M. Worden, command module pilot, remained with the Command and Service Modules (CSM) in lunar orbit.

  5. 46 CFR 154.17 - U.S. flag vessel: Certificate of Inspection endorsement.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.17.... flag vessel allowed to carry a liquefied gas listed in Table 4 has the following endorsement for each...

  6. 46 CFR 154.17 - U.S. flag vessel: Certificate of Inspection endorsement.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.17.... flag vessel allowed to carry a liquefied gas listed in Table 4 has the following endorsement for each...

  7. 46 CFR 154.17 - U.S. flag vessel: Certificate of Inspection endorsement.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.17.... flag vessel allowed to carry a liquefied gas listed in Table 4 has the following endorsement for each...

  8. Temperature analysis during bonding of brackets using LED or halogen light base units.

    PubMed

    Silva, Paulo César Gomes; De Fátima Zanirato Lizarelli, Rosane; Moriyama, Lílian Tan; De Toledo Porto Neto, Sizenando; Bagnato, Vanderlei Salvador

    2005-02-01

    The purpose of our investigation is to compare the intrapulpal temperature changes following blue LED system and halogen lamp irradiation at the enamel surface of permanent teeth. The fixation of brackets using composite resin is more comfortable and faster when using a photo-curable composite. Several light sources can be used: halogens, arc plasma, lasers, and recently blue LED systems. An important aspect to be observed during such a procedures is the temperature change. In this study, we have used nine human extracted permanent teeth: three central incisors, three lateral incisors, and three canines. Teeth were exposed to two light sources: blue LED system (preliminary commercial model LEC 470-II) and halogen lamp (conventional photo-cure equipment). The surface of teeth was exposed for 20, 40, and 60 sec at the buccal and lingual enamel surface with an angle of 45 degrees. Temperature values measured by a thermistor placed at pulpar chamber were read in time intervals of 1 sec. We obtained plots showing the temperature evolution as a function of time for each experiment. There is a correlation between heating quantity and exposition time of light source: with increasing exposition time, heating increases into the pulpal chamber. The halogen lamp showed higher heating than the LED system, which showed a shorter time of cooling than halogen lamp. The blue LED system seems like the indicated light source for photo-cure of composite resin during the bonding of brackets. The fixation of brackets using composite resin is more comfortable and faster when using a photo-curable composite. Blue LED equipment did not heat during its use. This could permit a shorter clinical time of operation and better performance.

  9. Competition of hydrogen bonds and halogen bonds in complexes of hypohalous acids with nitrogenated bases.

    PubMed

    Alkorta, Ibon; Blanco, Fernando; Solimannejad, Mohammad; Elguero, Jose

    2008-10-30

    A theoretical study of the complexes formed by hypohalous acids (HOX, X = F, Cl, Br, I, and At) with three nitrogenated bases (NH 3, N 2, and NCH) has been carried out by means of ab initio methods, up to MP2/aug-cc-pVTZ computational method. In general, two minima complexes are found, one with an OH...N hydrogen bond and the other one with a X...N halogen bond. While the first one is more stable for the smallest halogen derivatives, the two complexes present similar stabilities for the iodine case and the halogen-bonded structure is the most stable one for the hypoastatous acid complexes.

  10. Two Procedures to Flag Radio Frequency Interference in the UV Plane

    NASA Astrophysics Data System (ADS)

    Sekhar, Srikrishna; Athreya, Ramana

    2018-07-01

    We present two algorithms to identify and flag radio frequency interference (RFI) in radio interferometric imaging data. The first algorithm utilizes the redundancy of visibilities inside a UV cell in the visibility plane to identify corrupted data, while varying the detection threshold in accordance with the observed reduction in noise with radial UV distance. In the second algorithm, we propose a scheme to detect faint RFI in the visibility time-channel (TC) plane of baselines. The efficacy of identifying RFI in the residual visibilities is reduced by the presence of ripples due to inaccurate subtraction of the strongest sources. This can be due to several reasons including primary beam asymmetries and other direction-dependent calibration errors. We eliminated these ripples by clipping the corresponding peaks in the associated Fourier plane. RFI was detected in the ripple-free TC plane but was flagged in the original visibilities. Application of these two algorithms to five different 150 MHz data sets from the GMRT resulted in a reduction in image noise of 20%–50% throughout the field along with a reduction in systematics and a corresponding increase in the number of detected sources. However, in comparing the mean flux densities before and after flagging RFI, we find a differential change with the fainter sources (25σ < S < 100 mJy) showing a change of ‑6% to +1% relative to the stronger sources (S > 100 mJy). We are unable to explain this effect, but it could be related to the CLEAN bias known for interferometers.

  11. Selenium-Mediated Dehalogenation of Halogenated Nucleosides and its Relevance to the DNA Repair Pathway.

    PubMed

    Mondal, Santanu; Manna, Debasish; Mugesh, Govindasamy

    2015-08-03

    Halogenated nucleosides can be incorporated into the newly synthesized DNA of replicating cells and therefore are commonly used in the detection of proliferating cells in living tissues. Dehalogenation of these modified nucleosides is one of the key pathways involved in DNA repair mediated by the uracil-DNA glycosylase. Herein, we report the first example of a selenium-mediated dehalogenation of halogenated nucleosides. We also show that the mechanism for the debromination is remarkably different from that of deiodination and that the presence of a ribose or deoxyribose moiety in the nucleosides facilitates the deiodination. The results described herein should help in understanding the metabolism of halogenated nucleosides in DNA and RNA. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Source identification and apportionment of halogenated compounds observed at a remote site in East Asia.

    PubMed

    Li, Shanlan; Kim, Jooil; Park, Sunyoung; Kim, Seung-Kyu; Park, Mi-Kyung; Mühle, Jens; Lee, Gangwoong; Lee, Meehye; Jo, Chun Ok; Kim, Kyung-Ryul

    2014-01-01

    The sources of halogenated compounds in East Asia associated with stratospheric ozone depletion and climate change are relatively poorly understood. High-precision in situ measurements of 18 halogenated compounds and carbonyl sulfide (COS) made at Gosan, Jeju Island, Korea, from November 2007 to December 2011 were analyzed by a positive matrix factorization (PMF). Seven major industrial sources were identified from the enhanced concentrations of halogenated compounds observed at Gosan and corresponding concentration-based source contributions were also suggested: primary aluminum production explaining 37% of total concentration enhancements, solvent usage of which source apportionment is 25%, fugitive emissions from HCFC/HFC production with 11%, refrigerant replacements (9%), semiconductor/electronics industry (9%), foam blowing agents (6%), and fumigation (3%). Statistical trajectory analysis was applied to specify the potential emission regions for seven sources using back trajectories. Primary aluminum production, solvent usage and fugitive emission sources were mainly contributed by China. Semiconductor/electronics sources were dominantly located in Korea. Refrigerant replacement, fumigation and foam blowing agent sources were spread throughout East Asian countries. The specified potential source regions are consistent with country-based consumptions and emission patterns, verifying the PMF analysis results. The industry-based emission sources of halogenated compounds identified in this study help improve our understanding of the East Asian countries' industrial contributions to halogenated compound emissions.

  13. 40 CFR 721.4484 - Halogenated indane (generic name).

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Halogenated indane (generic name). 721.4484 Section 721.4484 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC... into a plastic, resin matrix, or pelletized so humans are not reasonally likely to be exposed. (2) The...

  14. 40 CFR 721.4484 - Halogenated indane (generic name).

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Halogenated indane (generic name). 721.4484 Section 721.4484 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC... into a plastic, resin matrix, or pelletized so humans are not reasonally likely to be exposed. (2) The...

  15. 40 CFR 721.10145 - Modified reaction products of alkyl alcohol, halogenated alkane, substituted epoxide, and amino...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 31 2011-07-01 2011-07-01 false Modified reaction products of alkyl... Modified reaction products of alkyl alcohol, halogenated alkane, substituted epoxide, and amino compound... identified generically as modified reaction products of alkyl alcohol, halogenated alkane, substituted...

  16. 40 CFR 721.10145 - Modified reaction products of alkyl alcohol, halogenated alkane, substituted epoxide, and amino...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Modified reaction products of alkyl... Modified reaction products of alkyl alcohol, halogenated alkane, substituted epoxide, and amino compound... identified generically as modified reaction products of alkyl alcohol, halogenated alkane, substituted...

  17. 14 CFR § 1221.106 - Establishment of the NASA Flag.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 5 2014-01-01 2014-01-01 false Establishment of the NASA Flag. § 1221.106 Section § 1221.106 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  18. 14 CFR § 1221.113 - Use of the NASA Flags.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 5 2014-01-01 2014-01-01 false Use of the NASA Flags. § 1221.113 Section § 1221.113 Aeronautics and Space NATIONAL AERONAUTICS AND SPACE ADMINISTRATION THE NASA SEAL AND OTHER DEVICES, AND THE CONGRESSIONAL SPACE MEDAL OF HONOR NASA Seal, NASA Insignia, NASA Logotype, NASA...

  19. Novel halogen chemistry in the marine boundary layer

    NASA Astrophysics Data System (ADS)

    Plane, J. M.; Saiz-Lopez, A.; Shillito, J. A.

    2003-12-01

    This paper will report the first observations of I2 in the marine boundary layer, made by Differential Optical Absorption (DOAS) spectroscopy during a field campaign at Mace Head (Ireland) in the summer of 2002. Very large I2 concentrations correlating with low tide indicate that the source is emission from macro-algae. Simple scaling suggests that this coastal emission could approach 2 Tg per year, making it a major contribution to the global iodine budget. During the same campaign, DOAS observations were also made of the halogen oxides IO, OIO and BrO. The pulses of IO and BrO that were measured at sunrise are strong evidence for heterogeneous processing on sea-salt aerosol producing high levels of IBr during the night. Simple modelling shows that the observed concentrations of the halogen radicals will play important roles in ozone depletion, the oxidation of dimethyl sulfide, and the formation of new particles in the marine boundary layer.

  20. Tailoring topological states in silicene using different halogen-passivated Si(111) substrates

    NASA Astrophysics Data System (ADS)

    Derakhshan, Vahid; Moghaddam, Ali G.; Ceresoli, Davide

    2018-03-01

    We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface using density functional theory calculations. Our results show that the Dirac character of low-energy excitations in silicene is almost preserved in the presence of a silicon substrate passivated by various halogens. Nevertheless, the combined effects of symmetry breaking due to both direct and van der Waals interactions between silicene and the substrate, charge transfer from suspended silicene into the substrate, and, finally, the hybridization which leads to the charge redistribution result in a gap in the spectrum of the embedded silicene. We further take the spin-orbit interaction into account and obtain the resulting modification in the gap. The energy gaps with and without spin-orbit coupling vary significantly when different halogen atoms are used for the passivation of the Si surface, and for the case of iodine, they become on the order of 100 meV. To examine the topological properties, we calculate the projected band structure of silicene from which the Berry curvature and Z2 invariant based on the evolution of Wannier charge centers are obtained. As a key finding, it is shown that silicene on halogenated Si substrates has a topological insulating state which can survive even at room temperature for the substrates with iodine and bromine at the surface. Therefore, these results suggest that we can have a reliable, stable, and robust silicene-based two-dimensional topological insulator using the considered substrates.

  1. CNNs flag recognition preprocessing scheme based on gray scale stretching and local binary pattern

    NASA Astrophysics Data System (ADS)

    Gong, Qian; Qu, Zhiyi; Hao, Kun

    2017-07-01

    Flag is a rather special recognition target in image recognition because of its non-rigid features with the location, scale and rotation characteristics. The location change can be handled well by the depth learning algorithm Convolutional Neural Networks (CNNs), but the scale and rotation changes are quite a challenge for CNNs. Since it has good rotation and gray scale invariance, the local binary pattern (LBP) is combined with grayscale stretching and CNNs to make LBP and grayscale stretching as CNNs pretreatment, which can not only significantly improve the efficiency of flag recognition, but can also evaluate the recognition effect through ROC, accuracy, MSE and quality factor.

  2. Method for selective dehalogenation of halogenated polyaromatic compounds

    DOEpatents

    Farcasiu, Malvina; Petrosius, Steven C.

    1994-01-01

    A method for dehalogenating halogenated polyaromatic compounds is provided wherein the polyaromatic compounds are mixed with a hydrogen donor solvent and a carbon catalyst in predetermined proportions, the mixture is maintained at a predetermined pressure, and the mixture is heated to a predetermined temperature and for a predetermined time.

  3. Photoproduction of halogens using platinized TiO2

    NASA Technical Reports Server (NTRS)

    Reichman, B.; Byvik, C. E.

    1981-01-01

    Unlike electrolysis of halide salt solutions, technique using powdered titanium dioxide catalyst requires no external power other than ultraviolet radiation source. Semiconductor powders photocatalyze and photosynthesize many useful reactions; applications are production of halogen molecules, oxidation of hazardous materials in wastewater, and conversion of carbon monoxide to carbon dioxide.

  4. Thermodynamics parameters for binding of halogenated benzotriazole inhibitors of human protein kinase CK2α.

    PubMed

    Winiewska, Maria; Kucińska, Katarzyna; Makowska, Małgorzata; Poznański, Jarosław; Shugar, David

    2015-10-01

    The interaction of human CK2α (hCK2α) with nine halogenated benzotriazoles, TBBt and its analogues representing all possible patterns of halogenation on the benzene ring of benzotriazole, was studied by biophysical methods. Thermal stability of protein-ligand complexes, monitored by calorimetric (DSC) and optical (DSF) methods, showed that the increase in the mid-point temperature for unfolding of protein-ligand complexes (i.e. potency of ligand binding to hCK2α) follow the inhibitory activities determined by biochemical assays. The dissociation constant for the ATP-hCK2α complex was estimated with the aid of microscale thermophoresis (MST) as 4.3±1.8 μM, and MST-derived dissociation constants determined for halogenated benzotriazoles, when converted according to known ATP concentrations, perfectly reconstruct IC50 values determined by the biochemical assays. Ligand-dependent quenching of tyrosine fluorescence, together with molecular modeling and DSC-derived heats of unfolding, support the hypothesis that halogenated benzotriazoles bind in at least two alternative orientations, and those that are efficient hCK2α inhibitors bind in the orientation which TBBt adopts in its complex with maize CK2α. DSC-derived apparent heat for ligand binding (ΔΔHbind) is driven by intermolecular electrostatic interactions between Lys68 and the triazole ring of the ligand, as indicated by a good correlation between ΔΔHbind and ligand pKa. Overall results, additionally supported by molecular modeling, confirm that a balance of hydrophobic and electrostatic interactions contribute predominantly (~40 kJ/mol), relative to possible intermolecular halogen/hydrogen bonding (less than 10 kJ/mol), in binding of halogenated benzotriazoles to the ATP-binding site of hCK2α. This article is part of a Special Issue entitled: Inhibitors of Protein Kinases. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Halogen bonding, chalcogen bonding, pnictogen bonding, tetrel bonding: origins, current status and discussion.

    PubMed

    Brammer, Lee

    2017-10-13

    The role of the closing lecture in a Faraday Discussion is to summarise the contributions made to the Discussion over the course of the meeting and in so doing capture the main themes that have arisen. This article is based upon my Closing Remarks Lecture at the 203 rd Faraday Discussion meeting on Halogen Bonding in Supramolecular and Solid State Chemistry, held in Ottawa, Canada, on 10-12 th July, 2017. The Discussion included papers on fundamentals and applications of halogen bonding in the solid state and solution phase. Analogous interactions involving main group elements outside group 17 were also examined. In the closing lecture and in this article these contributions have been grouped into the four themes: (a) fundamentals, (b) beyond the halogen bond, (c) characterisation, and (d) applications. The lecture and paper also include a short reflection on past work that has a bearing on the Discussion.

  6. Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

    PubMed Central

    2012-01-01

    The destabilizing p53 cancer mutation Y220C creates a druggable surface crevice. We developed a strategy exploiting halogen bonding for lead discovery to stabilize the mutant with small molecules. We designed halogen-enriched fragment libraries (HEFLibs) as starting points to complement classical approaches. From screening of HEFLibs and subsequent structure-guided design, we developed substituted 2-(aminomethyl)-4-ethynyl-6-iodophenols as p53-Y220C stabilizers. Crystal structures of their complexes highlight two key features: (i) a central scaffold with a robust binding mode anchored by halogen bonding of an iodine with a main-chain carbonyl and (ii) an acetylene linker, enabling the targeting of an additional subsite in the crevice. The best binders showed induction of apoptosis in a human cancer cell line with homozygous Y220C mutation. Our structural and biophysical data suggest a more widespread applicability of HEFLibs in drug discovery. PMID:22439615

  7. Room-Temperature Phosphorescence in Pure Organic Materials: Halogen Bonding Switching Effects.

    PubMed

    Xiao, Lu; Wu, Yishi; Yu, Zhenyi; Xu, Zhenzhen; Li, Jinbiao; Liu, Yanping; Yao, Jiannian; Fu, Hongbing

    2018-02-06

    Organic room-temperature phosphorescence (ORTP), when combined with external stimuli-responsive capability, is very attractive for sensors and bio-imaging devices, but remains challenging. Herein, by doping two β-iminoenamine-BF 2 derivatives (S-2CN and S-2I) into a 4-iodoaniline (I-Ph-NH 2 ) crystalline matrix, the formation of S-2CN⋅⋅⋅I-Ph-NH 2 and S-2I⋅⋅⋅I-Ph-NH 2 halogen bonds leads to bright-red RTP emissions from these two host-guest doped crystals (hgDCs) with quantum efficiencies up to 13.43 % and 15.96 %, respectively. Upon treatment with HCl, the competition of I-Ph-NH 2 ⋅HCl formation against S-2I⋅⋅⋅I-Ph-NH 2 halogen bonding switches off the red RTP from S-2I/I-Ph-NH 2 hgDCs, whereas the stable halogen-bonded S-2CN⋅⋅⋅I-Ph-NH 2 ensures red RTP from S-2CN/I-Ph-NH 2 hgDCs remains unchanged. A security protection luminescence pattern by using these different HCl-responsive RTP behaviors was designed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Organohalide respiration in pristine environments: implications for the natural halogen cycle.

    PubMed

    Atashgahi, Siavash; Häggblom, Max M; Smidt, Hauke

    2018-03-01

    Halogenated organic compounds, also termed organohalogens, were initially considered to be of almost exclusively anthropogenic origin. However, over 5000 naturally synthesized organohalogens are known today. This has also fuelled the hypothesis that the natural and ancient origin of organohalogens could have primed development of metabolic machineries for their degradation, especially in microorganisms. Among these, a special group of anaerobic microorganisms was discovered that could conserve energy by reducing organohalogens as terminal electron acceptor in a process termed organohalide respiration. Originally discovered in a quest for biodegradation of anthropogenic organohalogens, these organohalide-respiring bacteria (OHRB) were soon found to reside in pristine environments, such as the deep subseafloor and Arctic tundra soil with limited/no connections to anthropogenic activities. As such, accumulating evidence suggests an important role of OHRB in local natural halogen cycles, presumably taking advantage of natural organohalogens. In this minireview, we integrate current knowledge regarding the natural origin and occurrence of industrially important organohalogens and the evolution and spread of OHRB, and describe potential implications for natural halogen and carbon cycles. © 2017 Society for Applied Microbiology and John Wiley & Sons Ltd.

  9. Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

    NASA Astrophysics Data System (ADS)

    Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

    2018-06-01

    Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

  10. Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.

    PubMed

    El Hage, Krystel; Pandyarajan, Vijay; Phillips, Nelson B; Smith, Brian J; Menting, John G; Whittaker, Jonathan; Lawrence, Michael C; Meuwly, Markus; Weiss, Michael A

    2016-12-30

    Insulin, a protein critical for metabolic homeostasis, provides a classical model for protein design with application to human health. Recent efforts to improve its pharmaceutical formulation demonstrated that iodination of a conserved tyrosine (Tyr B26 ) enhances key properties of a rapid-acting clinical analog. Moreover, the broad utility of halogens in medicinal chemistry has motivated the use of hybrid quantum- and molecular-mechanical methods to study proteins. Here, we (i) undertook quantitative atomistic simulations of 3-[iodo-Tyr B26 ]insulin to predict its structural features, and (ii) tested these predictions by X-ray crystallography. Using an electrostatic model of the modified aromatic ring based on quantum chemistry, the calculations suggested that the analog, as a dimer and hexamer, exhibits subtle differences in aromatic-aromatic interactions at the dimer interface. Aromatic rings (Tyr B16 , Phe B24 , Phe B25 , 3-I-Tyr B26 , and their symmetry-related mates) at this interface adjust to enable packing of the hydrophobic iodine atoms within the core of each monomer. Strikingly, these features were observed in the crystal structure of a 3-[iodo-Tyr B26 ]insulin analog (determined as an R 6 zinc hexamer). Given that residues B24-B30 detach from the core on receptor binding, the environment of 3-I-Tyr B26 in a receptor complex must differ from that in the free hormone. Based on the recent structure of a "micro-receptor" complex, we predict that 3-I-Tyr B26 engages the receptor via directional halogen bonding and halogen-directed hydrogen bonding as follows: favorable electrostatic interactions exploiting, respectively, the halogen's electron-deficient σ-hole and electronegative equatorial band. Inspired by quantum chemistry and molecular dynamics, such "halogen engineering" promises to extend principles of medicinal chemistry to proteins. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  11. Detection of halogenated flame retardants in polyurethane foam by particle induced X-ray emission

    NASA Astrophysics Data System (ADS)

    Maley, Adam M.; Falk, Kyle A.; Hoover, Luke; Earlywine, Elly B.; Seymour, Michael D.; DeYoung, Paul A.; Blum, Arlene; Stapleton, Heather M.; Peaslee, Graham F.

    2015-09-01

    A novel application of particle-induced X-ray emission (PIXE) has been developed to detect the presence of chlorinated and brominated flame retardant chemicals in polyurethane foams. Traditional Gas Chromatography-Mass Spectrometry (GC-MS) methods for the detection and identification of halogenated flame retardants in foams require extensive sample preparation and data acquisition time. The elemental analysis of the halogens in polyurethane foam performed by PIXE offers the opportunity to identify the presence of halogenated flame retardants in a fraction of the time and sample preparation cost. Through comparative GC-MS and PIXE analysis of 215 foam samples, excellent agreement between the two methods was obtained. These results suggest that PIXE could be an ideal rapid screening method for the presence of chlorinated and brominated flame retardants in polyurethane foams.

  12. Room Temperature Halogenation of Polyimide Film Surface using Chlorine Trifluoride Gas

    NASA Astrophysics Data System (ADS)

    Habuka, Hitoshi; Kosuga, Takahiro; Koike, Kunihiko; Aida, Toshihiro; Takeuchi, Takashi; Aihara, Masahiko

    2004-02-01

    In order to develop a new application of chlorine trifluoride gas, the halogenation of a polyimide film surface at room temperature and at atmospheric pressure is studied for the first time. The polyimide film surface after exposure to the chlorine trifluoride gas shows a decreased water contact angle with increasing chlorine trifluoride gas concentration and exposure period. Since both X-ray photoelectron spectroscopy and infrared absorption spectroscopy simultaneously showed the formation of a carbon-chlorine bond and carbon-fluorine bond, it is concluded that the chlorine trifluoride gas can easily and safely perform the halogenation of the polyimide film surface under the stated conditions using a low-cost process and equipment.

  13. Large Plasmids from Soil Bacteria Enriched on Halogenated Alkanoic Acids

    PubMed Central

    Hardman, David J.; Gowland, Peter C.; Slater, J. Howard

    1986-01-01

    Four Pseudomonas species and two Alcaligenes species were isolated from soil with a capacity to grow on halogenated alkanoic acids. They were shown to contain one of five large plasmids. The plasmids had molecular weights ranging from 98,800 to 190,000. They were associated with the ability to utilize the halogenated substrates 2-monochloropropionic acid and 2-monochloroacetic acid and with resistance towards one or more of the heavy metals mercury, selenium, and tellurium. The largest plasmid, pUU204, was shown to be unstable in continuous-flow culture when the organism was supplied with succinate as the sole carbon source. The dehalogenase gene associated with pUU204 appeared to be readily transferred to an incP group plasmid, R68-45. PMID:16346975

  14. C-I···π Halogen Bonding Driven Supramolecular Helix of Bilateral N-Amidothioureas Bearing β-Turns.

    PubMed

    Cao, Jinlian; Yan, Xiaosheng; He, Wenbin; Li, Xiaorui; Li, Zhao; Mo, Yirong; Liu, Maili; Jiang, Yun-Bao

    2017-05-17

    We report the first example of C-I···π halogen bonding driven supramolecular helix in highly dilute solution of micromolar concentration, using alanine based bilateral I-substituted N-amidothioureas that contain helical fragments, the β-turn structures. The halogen bonding interactions afford head-to-tail linkages that help to propagate the helicity of the helical fragments. In support of this action of the halogen bonding, chiral amplification was observed in the supramolecular helix formed in acetonitrile solution. The present finding provides alternative tools in the design of self-assembling macromolecules.

  15. [Near infrared light irradiator using halogen lamp].

    PubMed

    Ide, Yasuo

    2012-07-01

    The practical electric light bulb was invented by Thomas Alva Edison in 1879. Halogen lamp is the toughest and brightest electric light bulb. With light filter, it is used as a source of near infrared light. Super Lizer and Alphabeam are made as near infrared light irradiator using halogen lamp. The light emmited by Super Lizer is linear polarized near infrared light. The wave length is from 600 to 1,600 nm and strongest at about 1,000 nm. Concerning Super Lizer, there is evidence of analgesic effects and normalization of the sympathetic nervous system. Super Lizer has four types of probes. SG type is used for stellate ganglion irradiation. B type is used for narrow area irradiation. C and D types are for broad area irradiation. The output of Alphabeam is not polarized. The wave length is from 700 to 1,600 nm and the strongest length is about 1,000nm. Standard attachment is used for spot irradiation. Small attachment is used for stellate ganglion irradiation. Wide attachment is used for broad area irradiation. The effects of Alphabeam are thought to be similar to that of Super Lizer.

  16. Halogen and LED light curing of composite: temperature increase and Knoop hardness.

    PubMed

    Schneider, L F; Consani, S; Correr-Sobrinho, L; Correr, A B; Sinhoreti, M A

    2006-03-01

    This study assessed the Knoop hardness and temperature increase provided by three light curing units when using (1) the manufacturers' recommended times of photo-activation and (2) standardizing total energy density. One halogen--XL2500 (3M/ESPE)--and two light-emitting diode (LED) curing units--Freelight (3M/ESPE) and Ultrablue IS (DMC)--were used. A type-K thermocouple registered the temperature change produced by the composite photo-activation in a mold. Twenty-four hours after the photo-activation procedures, the composite specimens were submitted to a hardness test. Both temperature increase and hardness data were submitted to ANOVA and Tukey's test (5% significance). Using the first set of photo-activation conditions, the halogen unit produced a statistically higher temperature increase than did both LED units, and the Freelight LED resulted in a lower hardness than did the other curing units. When applying the second set of photo-activation conditions, the two LED units produced statistically greater temperature increase than did the halogen unit, whereas there were no statistical differences in hardness among the curing units.

  17. Tuning the electronic structure of graphene through alkali metal and halogen atom intercalation

    NASA Astrophysics Data System (ADS)

    Ahmad, Sohail; Miró, Pere; Audiffred, Martha; Heine, Thomas

    2018-04-01

    The deposition, intercalation and co-intercalation of heavy alkali metals and light halogens atoms in graphene mono- and bilayers have been studied using first principles density-functional calculations. Both the deposition and the intercalation of alkali metals gives rise to n-type doping due to the formation of M+-C- pairs. The co-intercalation of a 1:1 ratio of alkali metals and halogens derives into the formation of ionic pairs among the intercalated species, unaltering the electronic structure of the layered material.

  18. POSSIBLE MOLECULAR TARGETS OF HALOGENATED ARMOATIC HYDROCARBONS IN NEURONAL CELLS.

    EPA Science Inventory

    Halogenated aromatic hydrocarbons including polychlorinated biphenyls (PCBs) are persistent bioaccumulative toxicants. Due to these characteristics, there is considerable regulatory concern over the potential adverse health affects, especially to children, associated with exposur...

  19. Interactions between volatile organic compounds and reactive halogen in the tropical marine atmosphere using WRF-Chem

    NASA Astrophysics Data System (ADS)

    Badia, Alba; Reeves, Claire E.; Baker, Alex; Volkamer, Rainer; von Glasow, Roland

    2016-04-01

    Halogen species (chlorine, bromine and iodine) are known to play an important role in the chemistry and oxidizing capacity of the troposphere, particularly in the marine boundary layer (MBL). Reactive halogens cause ozone (O3) destruction, change the HOx and NOX partitioning, affect the oxidation of volatile organic compounds (VOCs) and mercury, reduce the lifetime of methane, and take part in new particle formation. Numerical models predicted that reactive halogen compounds account for 30% of O3 destruction in the MBL and 5-20% globally. There are indications that the chemistry of reactive halogens and oxygenated VOCs (OVOCs) in the tropics are inter-related. Moreover, the presence of aldehydes, such as glyoxal (CHOCHO), has a potential impact on radical cycling and secondary organic aerosol (SOA) formation in the MBL and free troposphere (FT). Model calculations suggest aldehydes to be an important sink for bromine atoms and hence competition for their reaction with O3 forming BrO and so illustrating a link between the cycles of halogens and OVOCs in the marine atmosphere. The main objective of this contribution is to investigate the atmospheric chemistry in the tropical East Pacific with a focus on reactive halogens and OVOCs and their links using the latest version of the Weather Research and Forecasting (WRF) model coupled with Chemistry (WRF-Chem) and field data from the TORERO campaign. WRF-Chem is a highly flexible community model for atmospheric research where aerosol-radiation-cloud feedback processes are taken into account. Our current reaction mechanism in WRF-Chem is based on the MOZART mechanism and has been extended to include bromine, chlorine and iodine chemistry. The MOZART mechanism includes detailed gas-phase chemistry of CHOCHO formation as well as state-of-the-science pathways to form SOA. Oceanic emissions of aldehydes, including CHOCHO, and of organic halogens based on measurements from the TORERO campaign have been added into the model. Sea

  20. Force Field Model of Periodic Trends in Biomolecular Halogen Bonds

    PubMed Central

    Scholfield, Matthew R.; Ford, Melissa Coates; Vander Zanden, Crystal M.; Billman, M. Marie; Ho, P. Shing; Rappé, Anthony K.

    2016-01-01

    The study of the noncovalent interaction now defined as a halogen bond (X-bond) has become one of the fastest growing areas in experimental and theoretical chemistry—its applications as a design tool are highly extensive. The significance of the interaction in biology has only recently been recognized, but has now become important in medicinal chemistry. We had previously derived a set of empirical potential energy functions to model the structure-energy relationships for bromines in biomolecular X-bonds (BXBs). Here, we have extended this force field for BXBs (ffBXB) to the halogens (Cl, Br, and I) that are commonly seen to form stable X-bonds. The ffBXB calculated energies show a remarkable one-to-one linear relationship to explicit BXB energies determined from an experimental DNA junction system, thereby validating the approach and the model. The resulting parameters allow us to interpret the stabilizing effects of BXBs in terms of well-defined physical properties of the halogen atoms, including their size, shape, and charge, showing periodic trends that are predictable along the Group VII column of elements. Consequently, we have established the ffBXB as accurate computational tool that can be applied to, for example, for the design of new therapeutic compounds against clinically important targets and new biomolecular based materials. PMID:25338128

  1. The anomalous halogen bonding interactions between chlorine and bromine with water in clathrate hydrates.

    PubMed

    Dureckova, Hana; Woo, Tom K; Udachin, Konstantin A; Ripmeester, John A; Alavi, Saman

    2017-10-13

    Clathrate hydrate phases of Cl 2 and Br 2 guest molecules have been known for about 200 years. The crystal structure of these phases was recently re-determined with high accuracy by single crystal X-ray diffraction. In these structures, the water oxygen-halogen atom distances are determined to be shorter than the sum of the van der Waals radii, which indicates the action of some type of non-covalent interaction between the dihalogens and water molecules. Given that in the hydrate phases both lone pairs of each water oxygen atom are engaged in hydrogen bonding with other water molecules of the lattice, the nature of the oxygen-halogen interactions may not be the standard halogen bonds characterized recently in the solid state materials and enzyme-substrate compounds. The nature of the halogen-water interactions for the Cl 2 and Br 2 molecules in two isolated clathrate hydrate cages has recently been studied with ab initio calculations and Natural Bond Order analysis (Ochoa-Resendiz et al. J. Chem. Phys. 2016, 145, 161104). Here we present the results of ab initio calculations and natural localized molecular orbital analysis for Cl 2 and Br 2 guests in all cage types observed in the cubic structure I and tetragonal structure I clathrate hydrates to characterize the orbital interactions between the dihalogen guests and water. Calculations with isolated cages and cages with one shell of coordinating molecules are considered. The computational analysis is used to understand the nature of the halogen bonding in these materials and to interpret the guest positions in the hydrate cages obtained from the X-ray crystal structures.

  2. Biological Activity of Recently Discovered Halogenated Marine Natural Products

    PubMed Central

    Gribble, Gordon W.

    2015-01-01

    This review presents the biological activity—antibacterial, antifungal, anti-parasitic, antiviral, antitumor, antiinflammatory, antioxidant, and enzymatic activity—of halogenated marine natural products discovered in the past five years. Newly discovered examples that do not report biological activity are not included. PMID:26133553

  3. Mercury and halogens in coal: Chapter 2

    USGS Publications Warehouse

    Kolker, Allan; Quick, Jeffrey C.; Granite, Evan J.; Pennline, Henry W.; Senior, Constance L.

    2014-01-01

    Apart from mercury itself, coal rank and halogen content are among the most important factors inherent in coal that determine the proportion of mercury captured by conventional controls during coal combustion. This chapter reviews how mercury in coal occurs, gives available concentration data for mercury in U.S. and international commercial coals, and provides an overview of the natural variation in halogens that influence mercury capture. Three databases, the U.S. Geological Survey coal quality (USGS COALQUAL) database for in-ground coals, and the 1999 and 2010 U.S. Environmental Protection Agency (EPA) Information Collection Request (ICR) databases for coals delivered to power stations, provide extensive results for mercury and other parameters that are compared in this chapter. In addition to the United States, detailed characterization of mercury is available on a nationwide basis for China, whose mean values in recent compilations are very similar to the United States in-ground mean of 0.17 ppm mercury. Available data for the next five largest producers (India, Australia, South Africa, the Russian Federation, and Indonesia) are more limited and with the possible exceptions of Australia and the Russian Federation, do not allow nationwide means for mercury in coal to be calculated. Chlorine in coal varies as a function of rank and correspondingly, depth of burial. As discussed elsewhere in this volume, on a proportional basis, bromine is more effective than chlorine in promoting mercury oxidation in flue gas and capture by conventional controls. The ratio of bromine to chlorine in coal is indicative of the proportion of halogens present in formation waters within a coal basin. This ratio is relatively constant except in coals that have interacted with deep-basin brines that have reached halite saturation, enriching residual fluids in bromine. Results presented here help optimize mercury capture by conventional controls and provide a starting point for

  4. An Evidence-Based Case Study of Unilateral Shin Splints: Do Red Flags Function in Paediatric Osteosarcoma?

    PubMed

    Rankin, Anne

    2015-01-01

    Physiotherapists use red flags to screen for serious pathology. Paediatric osteosarcoma is a rare disease, occurring predominantly in the area of the knee and shoulder, and it is not always included by physiotherapists on a differential diagnosis list. Traditional red flags do not always correspond to the initial signs and symptoms of osteosarcoma. Physiotherapists should routinely palpate along the length of the bone to detect a potential mass. The detection of a mass or symptoms that do not follow the expected course indicates the need for reassessment and possibly referral for further investigation.

  5. Halogenated Solvent Cleaning: National Emission Standards for Hazardous Air Pollutants (NESHAP)

    EPA Pesticide Factsheets

    Learn about the Maximum Achievable Control Technology (MACT) standards for halogenated solvent cleaner. Find the rule history information, federal register citations, legal authority, and additional resources.

  6. Design and verification of halogen-bonding system at the complex interface of human fertilization-related MUP PDZ5 domain with CAMK's C-terminal peptide.

    PubMed

    Wang, Juan; Guo, Yunjie; Zhang, Xue

    2018-02-01

    Calmodulin-dependent protein kinase (CAMK) is physiologically activated in fertilized human oocytes and is involved in the Ca 2+ response pathways that link the fertilization calmodulin signal to meiosis resumption and cortical granule exocytosis. The kinase has an unstructured C-terminal tail that can be recognized and bound by the PDZ5 domain of its cognate partner, the multi-PDZ domain protein (MUP). In the current study, we reported a rational biomolecular design of halogen-bonding system at the complex interface of CAMK's C-terminal peptide with MUP PDZ5 domain by using high-level computational approaches. Four organic halogens were employed as atom probes to explore the structural geometry and energetic property of designed halogen bonds in the PDZ5-peptide complex. It was found that the heavier halogen elements such as bromine Br and iodine I can confer stronger halogen bond but would cause bad atomic contacts and overlaps at the complex interface, while fluorine F cannot form effective halogen bond in the complex. In addition, the halogen substitution at different positions of peptide's aromatic ring would result in distinct effects on the halogen-bonding system. The computational findings were then verified by using fluorescence analysis; it is indicated that the halogen type and substitution position play critical role in the interaction strength of halogen bonds, and thus the PDZ5-peptide binding affinity can be improved considerably by optimizing their combination. Copyright © 2017 Elsevier Ltd. All rights reserved.

  7. Characterization of halogenated DBPs and identification of new DBPs trihalomethanols in chlorine dioxide treated drinking water with multiple extractions.

    PubMed

    Han, Jiarui; Zhang, Xiangru; Liu, Jiaqi; Zhu, Xiaohu; Gong, Tingting

    2017-08-01

    Chlorine dioxide (ClO 2 ) is a widely used alternative disinfectant due to its high biocidal efficiency and low-level formation of trihalomethanes and haloacetic acids. A major portion of total organic halogen (TOX), a collective parameter for all halogenated DBPs, formed in ClO 2 -treated drinking water is still unknown. A commonly used pretreatment method for analyzing halogenated DBPs in drinking water is one-time liquid-liquid extraction (LLE), which may lead to a substantial loss of DBPs prior to analysis. In this study, characterization and identification of polar halogenated DBPs in a ClO 2 -treated drinking water sample were conducted by pretreating the sample with multiple extractions. Compared to one-time LLE, the combined four-time LLEs improved the recovery of TOX by 2.3 times. The developmental toxicity of the drinking water sample pretreated with the combined four-time LLEs was 1.67 times higher than that pretreated with one-time LLE. With the aid of ultra-performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry, a new group of polar halogenated DBPs, trihalomethanols, were detected in the drinking water sample pretreated with multiple extractions; two of them, trichloromethanol and bromodichloromethanol, were identified with synthesized standard compounds. Moreover, these trihalomethanols were found to be the transformation products of trihalomethanes formed during ClO 2 disinfection. The results indicate that multiple LLEs can significantly improve extraction efficiencies of polar halogenated DBPs and is a better pretreatment method for characterizing and identifying new polar halogenated DBPs in drinking water. Copyright © 2017. Published by Elsevier B.V.

  8. The Field-tested Learning Assessment Guide (FLAG): A Community Repository of Proven Alternative Assessment Instruments for STEM Education

    NASA Astrophysics Data System (ADS)

    Zeilik, M.; Garvin-Doxas, K.

    2003-12-01

    FLAG, the Field-tested Learning Assessment Guide (http://www.flaguide.org/) is a NSF funded website that offers broadly-applicable, self-contained modular classroom assessment techniques (CATs) and discipline-specific tools for STEM instructors creating new approaches to evaluate student learning, attitudes and performance. In particular, the FLAG contains proven techniques for alterative assessments---those needed for reformed, innovative STEM courses. Each tool has been developed, tested and refined in real classrooms at colleges and universities. The FLAG also contains an assessment primer, a section to help you select the most appropriate assessment technique(s) for your course goals, and other resources. In addition to references on instrument development and field-tested instruments on attitudes towards science, the FLAG also includes discipline-specific tools in Physics, Astronomy, Biology, and Mathematics. Building of the Geoscience collection is currently under way with the development of an instrument for detecting misconceptions of incoming freshmen on Space Science, which is being developed with the help of the Committee on Space Science and Astronomy of the American Association of Physics Teachers. Additional field-tested resources from the Geosciences are solicited from the community. Contributions should be sent to Michael Zeilik, zeilik@la.unm.edu. This work has been supported in part by NSF grant DUE 99-81155.

  9. Oxidation of hydrogen halides to elemental halogens

    DOEpatents

    Rohrmann, Charles A.; Fullam, Harold T.

    1985-01-01

    A process for oxidizing hydrogen halides having substantially no sulfur impurities by means of a catalytically active molten salt is disclosed. A mixture of the subject hydrogen halide and an oxygen bearing gas is contacted with a molten salt containing an oxidizing catalyst and alkali metal normal sulfates and pyrosulfates to produce an effluent gas stream rich in the elemental halogen and substantially free of sulfur oxide gases.

  10. 40 CFR 63.2465 - What requirements must I meet for process vents that emit hydrogen halide and halogen HAP or HAP...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... process vents that emit hydrogen halide and halogen HAP or HAP metals? 63.2465 Section 63.2465 Protection... hydrogen halide and halogen HAP or HAP metals? (a) You must meet each emission limit in Table 3 to this...) of this section. (b) If any process vents within a process emit hydrogen halide and halogen HAP, you...

  11. 40 CFR 63.2465 - What requirements must I meet for process vents that emit hydrogen halide and halogen HAP or HAP...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... process vents that emit hydrogen halide and halogen HAP or HAP metals? 63.2465 Section 63.2465 Protection... hydrogen halide and halogen HAP or HAP metals? (a) You must meet each emission limit in Table 3 to this...) of this section. (b) If any process vents within a process emit hydrogen halide and halogen HAP, you...

  12. 40 CFR 63.2465 - What requirements must I meet for process vents that emit hydrogen halide and halogen HAP or HAP...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... process vents that emit hydrogen halide and halogen HAP or HAP metals? 63.2465 Section 63.2465 Protection... hydrogen halide and halogen HAP or HAP metals? (a) You must meet each emission limit in Table 3 to this...) of this section. (b) If any process vents within a process emit hydrogen halide and halogen HAP, you...

  13. Constructing and Validating the Foreign Language Attitudes and Goals Survey (FLAGS)

    ERIC Educational Resources Information Center

    Cid, Eva; Granena, Gisela; Tragant, Elsa

    2009-01-01

    The present study describes the process that was followed in the construction and validation of the foreign language attitudes and goals survey (FLAGS), a new questionnaire based on qualitative data from Tragant and Munoz [Tragant, Munoz, C., 2000. "La motivacion y su relacion con la edad en un contexto escolar de aprendizaje de una lengua…

  14. Comparative Proteome Analysis of Wheat Flag Leaves and Developing Grains Under Water Deficit

    PubMed Central

    Deng, Xiong; Liu, Yue; Xu, Xuexin; Liu, Dongmiao; Zhu, Genrui; Yan, Xing; Wang, Zhimin; Yan, Yueming

    2018-01-01

    In this study, we performed the first comparative proteomic analysis of wheat flag leaves and developing grains in response to drought stress. Drought stress caused a significant decrease in several important physiological and biochemical parameters and grain yield traits, particularly those related to photosynthesis and starch biosynthesis. In contrast, some key indicators related to drought stress were significantly increased, including malondialdehyde, soluble sugar, proline, glycine betaine, abscisic acid content, and peroxidase activity. Two-dimensional difference gel electrophoresis (2D-DIGE) identified 87 and 132 differentially accumulated protein (DAP) spots representing 66 and 105 unique proteins following exposure to drought stress in flag leaves and developing grains, respectively. The proteomes of the two organs varied markedly, and most DAPS were related to the oxidative stress response, photosynthesis and energy metabolism, and starch biosynthesis. In particular, DAPs in flag leaves mainly participated in photosynthesis while those in developing grains were primarily involved in carbon metabolism and the drought stress response. Western blotting and quantitative real-time polymerase chain reaction (qRT-PCR) further validated some key DAPs such as rubisco large subunit (RBSCL), ADP glucose pyrophosphorylase (AGPase), chaperonin 60 subunit alpha (CPN-60 alpha) and oxalate oxidase 2 (OxO 2). The potential functions of the identified DAPs revealed that a complex network synergistically regulates drought resistance during grain development. Our results from proteome perspective provide new insight into the molecular regulatory mechanisms used by different wheat organs to respond to drought stress. PMID:29692790

  15. Raising FLAGS: Renewing Core French at the Pre-Service Teacher Level

    ERIC Educational Resources Information Center

    Carr, Wendy

    2010-01-01

    A new program for core French teacher candidates called FLAGS (French Language and Global Studies) was established at the University of British Columbia (UBC) in 2007. The program is intended for those who are keen to teach core French and possess rudimentary proficiency in the language but may not necessarily have the same proficiency or prior…

  16. An Evidence-Based Case Study of Unilateral Shin Splints: Do Red Flags Function in Paediatric Osteosarcoma?

    PubMed Central

    2015-01-01

    ABSTRACT Physiotherapists use red flags to screen for serious pathology. Paediatric osteosarcoma is a rare disease, occurring predominantly in the area of the knee and shoulder, and it is not always included by physiotherapists on a differential diagnosis list. Traditional red flags do not always correspond to the initial signs and symptoms of osteosarcoma. Physiotherapists should routinely palpate along the length of the bone to detect a potential mass. The detection of a mass or symptoms that do not follow the expected course indicates the need for reassessment and possibly referral for further investigation. PMID:27504036

  17. A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Kanaya, Y.; Takahashi, M.; Akimoto, H.

    2003-09-01

    A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry) to investigate photochemical interactions between volatile organic compounds (VOCs) and reactive halogen species in the marine boundary layer (MBL). Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit treatment of oxidative degradation of up to C3-hydrocarbons CH4, C2H6, C3H8, C2H4, C3H6, and C2H2) initiated by reactions with OH radicals, Cl- and Br-atoms, and O3. Rate constants and product yields for reactions involving halogen species are taken from the literature where available, but the majority of them need to be estimated. In particular, addition reactions of halogen atoms with alkenes will result in the formation of halogenated organic intermediates, whose photochemical loss rates are carefully evaluated in the present work. Model calculations with the new chemical scheme reveal that the oceanic emissions of acetaldehyde (CH3CHO) and alkenes (especially C3H6) are important factors for regulating reactive halogen chemistry in the MBL by promoting the conversion of Br atoms into HBr or more stable brominated intermediates in the organic form. The latter include brominated hydroperoxides, bromoacetaldehyde, and bromoacetone, which sequester bromine from reactive inorganic pool. The total mixing ratio of brominated organic species thus produced is likely to reach 10-20% or more of that of inorganic gaseous bromine species over wide regions over the ocean. On the other hand, the reaction between Br atoms and C2H2 is unimportant for determining the degree of bromine activation in the remote MBL. It is suggested that peroxyacetic acid formed via CH3CHO oxidation is one of the important chemical agents for triggering autocatalytic halogen release from sea-salt aerosols. These results imply that

  18. On the physical nature of halogen bonds: a QTAIM study.

    PubMed

    Syzgantseva, Olga A; Tognetti, Vincent; Joubert, Laurent

    2013-09-12

    In this article, we report a detailed study on halogen bonds in complexes of CHCBr, CHCCl, CH2CHBr, FBr, FCl, and ClBr with a set of Lewis bases (NH3, OH2, SH2, OCH2, OH(-), Br(-)). To obtain insight into the physical nature of these bonds, we extensively used Bader's Quantum Theory of Atoms-in-Molecules (QTAIM). With this aim, in addition to the examination of the bond critical points properties, we apply Pendás' Interacting Quantum Atoms (IQA) scheme, which enables rigorous and physical study of each interaction at work in the formation of the halogen-bonded complexes. In particular, the influence of primary and secondary interactions on the stability of the complexes is analyzed, and the roles of electrostatics and exchange are notably discussed and compared. Finally, relationships between QTAIM descriptors and binding energies are inspected.

  19. The prevention of injuries in contact flag football.

    PubMed

    Kaplan, Yonatan; Myklebust, Grethe; Nyska, Meir; Palmanovich, Ezequiel; Victor, Jan; Witvrouw, Erik

    2014-01-01

    American flag football is a non-tackle, contact sport with many moderate to severe contact-type injuries reported. A previous prospective injury surveillance study by the authors revealed a high incidence of injuries to the fingers, face, knee, shoulder and ankle. The objectives of the study were to conduct a pilot-prospective injury prevention study in an attempt to significantly reduce the incidence and the severity of injuries as compared to a historical cohort, as well as to provide recommendations for a future prospective injury prevention study. A prospective injury prevention study was conducted involving 724 amateur male (mean age: 20.0 ± 3.1 years) and 114 female (mean age: 21.2 ± 7.2 years) players. Four prevention measures were implemented: the no-pocket rule, self-fitting mouth guards, ankle braces (for those players with recurrent ankle sprains) and an injury treatment information brochure. An injury surveillance questionnaire was administered to record all time-loss injuries sustained in game sessions. There was a statistically significant reduction in the number of injured players, the number of finger/hand injuries, the incidence rate and the incidence proportion between the two cohorts (p < 0.05). This one-season pilot prevention study has provided preliminary evidence that finger/hand injuries can be significantly reduced in flag football. Prevention strategies for a longer, prospective, randomised-controlled injury prevention study should include the strict enforcement of the no-pocket rule, appropriate head gear, the use of comfortable-fitting ankle braces and mouth guards, and changing the blocking rules of the game.

  20. Genetic dissection of flag leaf morphology in wheat (Triticum aestivum L.) under diverse water regimes.

    PubMed

    Yang, Delong; Liu, Yuan; Cheng, Hongbo; Chang, Lei; Chen, Jingjing; Chai, Shouxi; Li, Mengfei

    2016-06-28

    Morphological traits related to flag leaves are determinant traits influencing plant architecture and yield potential in wheat (Triticum aestivum L.). However, little is known regarding their genetic controls under drought stress. One hundred and twenty F8-derived recombinant inbred lines from a cross between two common wheat cultivars Longjian 19 and Q9086 were developed to identify quantitative trait loci (QTLs) and to dissect the genetic bases underlying flag leaf width, length, area, length to width ratio and basal angle under drought stress and well-watered conditions consistent over four environments. A total of 55 additive and 51 pairs of epistatic QTLs were identified on all 21 chromosomes except 6D, among which additive loci were highly concentrated in a few of same or adjacent marker intervals in individual chromosomes. Two specific marker intervals of Xwmc694-Xwmc156 on chromosome 1B and Xbarc1072-Xwmc272 on chromosome 2B were co-located by additive QTLs for four tested traits. Twenty additive loci were repeatedly detected in more than two environments, suggestive of stable A-QTLs. A majority of QTLs involved significant additive and epistatic effects, as well as QTL × environment interactions (QEIs). Of these, 72.7 % of additive QEIs and 80 % of epistatic QEIs were related to drought stress with significant genetic effects decreasing phenotypic values. By contrast, additive and QEIs effects contributed more phenotypic variation than epistatic effects. Flag leaf morphology in wheat was predominantly controlled by additive and QEIs effects, where more QEIs effects occurred in drought stress and depressed phenotypic performances. Several QTL clusters indicated tight linkage or pleiotropy in the inheritance of these traits. Twenty stable QTLs for flag leaf morphology are potentially useful for the genetic improvement of drought tolerance in wheat through QTL pyramiding.

  1. Quantum Chemical Examination of the Sequential Halogen Incorporation Scheme for the Modeling of Speciation of I/Br/Cl-Containing Trihalomethanes.

    PubMed

    Zhang, Chenyang; Li, Maodong; Han, Xuze; Yan, Mingquan

    2018-02-20

    The recently developed three-step ternary halogenation model interprets the incorporation of chlorine, bromine, and iodine ions into natural organic matter (NOM) and formation of iodine-, bromine-, and chlorine-containing trihalomethanes (THMs) based on the competition of iodine, bromine, and chlorine species at each node of the halogenation sequence. This competition is accounted for using the dimensionless ratios (denoted as γ) of kinetic rates of reactions of the initial attack sites or halogenated intermediates with chlorine, bromine, and iodine ions. However, correlations between the model predictions made and mechanistic aspects of the incorporation of halogen species need to be ascertained in more detail. In this study, quantum chemistry calculations were first used to probe the formation mechanism of 10 species of Cl-/Br-/I- THMs. The HOMO energy (E HOMO ) of each mono-, bi-, or trihalomethanes were calculated by B3LYP method in Gaussian 09 software. Linear correlations were found to exist between the logarithms of experimentally determined kinetic preference coefficients γ reported in prior research and, on the other hand, differences of E HOMO values between brominated/iodinated and chlorinated halomethanes. One notable exception from this trend was that observed for the incorporation of iodine into mono- and di-iodinated intermediates. These observations confirm the three-step halogen incorporation sequence and the factor γ in the statistical model. The combined use of quantum chemistry calculations and the ternary sequential halogenation model provides a new insight into the microscopic nature of NOM-halogen interactions and the trends seen in the behavior of γ factors incorporated in the THM speciation models.

  2. The Latest Results from the Focal L-Band Array for the Green Bank Telescope (FLAG), the World's (Current) Most Sensitive Phased Array Feed

    NASA Astrophysics Data System (ADS)

    Pingel, Nickolas; Pisano, D. J.

    2018-01-01

    Phased Array Feeds (PAFs) represent the next revolution in radio astronomy instrumentation. I will present results from the latest commissioning run from the Focal L-Band Array for the Green Bank telescope (FLAG), which holds the current world record for PAF sensitivity. Since we are able to operate at system temperatures comparable with the traditional GBT single pixel L-Band feed, the increase in the field-of-view provided by the beamforming capabilities of PAFs results in a dramatic (a factor of 5) increase in survey speeds. In particular, FLAG can probe similar neutral hydrogen column density regimes over a 4 sq. deg region in 24.6 minutes as opposed to 4.1 hours in an equivalent single pixel map (excluding observing overhead). In addition to comparisons between data taken with FLAG and the single-pixel L-Band feed, I will also discuss the technical aspects of the observing procedure, data reduction, and the transition path for FLAG from an instrument that is principle-investigator run to one that is general use. These FLAG results provide a very encouraging outlook on how the GBT will continue to compete with current and planned radio telescope facilities.

  3. Performance analysis of photoresistor and phototransistor for automotive’s halogen and xenon bulbs light output

    NASA Astrophysics Data System (ADS)

    Rammohan, A.; Kumar, C. Ramesh

    2017-11-01

    Illumination of any light is measured using a different kind of calibrated equipment’s available in the market such as a goniometer, spectral radiometer, photometer, Lux meter and camera based systems which directly display the illumination of automotive headlights light distribution in the unit of lux, foot-candles, lumens/sq. ft. and Lambert etc., In this research, we dealt with evaluating the photo resistor or Light Dependent Resistor (LDR) and phototransistor whether it is useful for sensing light patterns of Automotive Halogen and Xenon bulbs. The experiments are conducted during night hours under complete dark space. We have used the headlamp setup available in TATA SUMO VICTA vehicle in the Indian market and conducted the experiments separately for Halogen and Xenon bulbs under low and high beam operations at various degrees and test points within ten meters of distance. Also, we have compared the light intensity of halogen and xenon bulbs to prove the highest light intensity between halogen and Xenon bulbs. After doing a rigorous test with these two sensors it is understood both are good to sensing beam pattern of automotive bulbs and even it is good if we use an array of sensors or a mixed combination of sensors for measuring illumination purposes under perfect calibrations.

  4. Phloem Transport Of Arsenic Species From Flag Leaf To Grain During Grain Filling

    EPA Science Inventory

    Strategies to reduce arsenic (As) in rice grain, below concentrations that represent a serious human health concern, require that the mechanisms of As accumulation within grain be established. Therefore, retranslocation of As species from flag leaves into filling rice grain was ...

  5. Spectroscopic detection of halogen bonding resolves dye regeneration in the dye-sensitized solar cell.

    PubMed

    Parlane, Fraser G L; Mustoe, Chantal; Kellett, Cameron W; Simon, Sarah J; Swords, Wesley B; Meyer, Gerald J; Kennepohl, Pierre; Berlinguette, Curtis P

    2017-11-24

    The interactions between a surface-adsorbed dye and a soluble redox-active electrolyte species in the dye-sensitized solar cell has a significant impact on the rate of regeneration of photo-oxidized dye molecules and open-circuit voltage of the device. Dyes must therefore be designed to encourage these interfacial interactions, but experimentally resolving how such weak interactions affect electron transfer is challenging. Herein, we use X-ray absorption spectroscopy to confirm halogen bonding can exist at the dye-electrolyte interface. Using a known series of triphenylamine-based dyes bearing halogen substituents geometrically positioned for reaction with halides in solution, halogen bonding was detected only in cases where brominated and iodinated dyes were photo-oxidized. This result implies that weak intermolecular interactions between photo-oxidized dyes and the electrolyte can impact device photovoltages. This result was unexpected considering the low concentration of oxidized dyes (less than 1 in 100,000) under full solar illumination.

  6. Regional atmospheric emissions determined from measurements at Jeju Island, Korea: Halogenated compounds from China

    NASA Astrophysics Data System (ADS)

    Kim, Jooil; Li, Shanlan; Kim, Kyung-Ryul; Stohl, Andreas; Mühle, Jens; Kim, Seung-Kyu; Park, Mi-Kyung; Kang, Dong-Jin; Lee, Gangwoong; Harth, Christina M.; Salameh, Peter K.; Weiss, Ray F.

    2010-06-01

    High-frequency in-situ measurements of a wide range of halogenated compounds including chlorofluorocarbons (CFCs), halons, hydrochlorofluorocarbons (HCFCs), hydrofluorocarbons (HFCs), perfluorinated compounds (PFCs), sulfur hexafluoride (SF6), and other chlorinated and brominated compounds have been made at Gosan (Jeju Island, Korea). Regional emissions of HCFC-22 (CHClF2) calculated from inverse modeling were combined with interspecies correlation methods to estimate national emissions for China, a major emitter of industrial halogenated gases. Our results confirm the signs of successful phase-out of primary ozone-depleting species such as CFCs, halons and many chlorinated or brominated compounds, along with substantial emissions of replacement HCFCs. Emissions derived for HFCs, PFCs, and SF6 were compared to published estimates and found to be a significant fraction of global totals. Overall, Chinese emissions of the halogenated compounds discussed here represent 19(14-17)% and 20(15-26)% of global emissions when evaluated in terms of their Ozone Depletion Potentials and 100-year Global Warming Potentials, respectively.

  7. Effects of halide ions on photodegradation of sulfonamide antibiotics: Formation of halogenated intermediates.

    PubMed

    Li, Yingjie; Qiao, Xianliang; Zhang, Ya-Nan; Zhou, Chengzhi; Xie, Huaijun; Chen, Jingwen

    2016-10-01

    The occurrence of sulfonamide antibiotics (SAs) in estuarine waters urges insights into their environmental fate for ecological risk assessment. Although many studies focused on the photochemical behavior of SAs, yet the effects of halide ions relevant to estuarine and marine environments on their photodegradation have been poorly understood. Here, we investigated the effects of halide ions on the photodegradation of SAs with sulfapyridine, sulfamethazine, and sulfamethoxazole as representative compounds. Results showed that halide ions did not significantly impact the photodegradation of sulfapyridine and sulfamethoxazole, while they significantly promoted the photodegradation of sulfamethazine. Further experiments found that ionic strength applied with NaClO4 significantly enhanced the photodegradation of the SAs, which was attributed to the decreased quenching rate constant of the triplet-excited SAs ((3)SA(∗)). Compared with ionic strength, specific Cl(-) effects retarded the photodegradation of the SAs. Our study found that triplet-excited sulfamethazine can oxidize halide ions to produce halogen radicals, subsequently leading to the halogenation of sulfamethazine, which was confirmed by the identification of both chlorinated and brominated intermediates. These results indicate that halide ions play an important role in the photochemical behavior of some SAs in estuarine waters and seawater. The occurrence of halogenation for certain organic pollutants can be predicted by comparing the oxidation potentials of triplet-excited contaminants with those of halogen radicals. Our findings are helpful in understanding the photochemical behavior and assessing the ecological risks of SAs and other organic pollutants in estuarine and marine environment. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Pharmacological evaluation of halogenated and non-halogenated arylpiperazin-1-yl-ethyl-benzimidazoles as D(2) and 5-HT(2A) receptor ligands.

    PubMed

    Tomić, Mirko; Vasković, Djurdjica; Tovilović, Gordana; Andrić, Deana; Penjišević, Jelena; Kostić-Rajačić, Sladjana

    2011-05-01

    Five groups of previously synthesized and initially screened non-substituted and 4-halogenated arylpiperazin-1-yl-ethyl-benzimidazoles were estimated for their in-vitro binding affinities at the rat D(2) , 5-HT(2A) , and α(1) -adrenergic receptors. Among all these compounds, 2-methoxyphenyl and 2-chlorophenyl piperazines demonstrate the highest affinities for the tested receptors. The effects of 4-halogenation of benzimidazoles reveal that substitution with bromine may greatly increase the affinity of the compounds for the studied receptors, while the effect of substitution with chlorine is less remarkable. Most of the tested components show 5-HT(2A)/D(2) pK(i) binding ratios slightly above or less than 1, while only 4-chloro-6-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1H-benzimidazole expresses an appropriate higher binding ratio (1.14), which was indicated for atypical neuroleptics. This compound exhibits a non-cataleptic action in rats and prevents d-amphetamine-induced hyperlocomotion in mice, which suggest its atypical antipsychotic potency. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Role of halogen and hydrogen bonds for stabilization of antithyroid drugs with hypohalous acids (HOX, X = I, Br, and Cl) adducts

    NASA Astrophysics Data System (ADS)

    El-Sheshtawy, Hamdy S.; El-Mehasseb, Ibrahim

    2017-11-01

    The mechanism for the inhibition of thyroid hormones by the thioamide-like antithyroid drug is a key process in the thyroid gland function. Therefore, in this study theoretical investigation of the molecular interaction between two antithyroid drugs, namely methimazol (MMI) and thiazoline-2-thione (T2T), with the hypohalous acids (HOX, X = I, Br, and Cl), which act as heme-linked halogenated species to tyrosine residue was discussed. The calculations were performed by M06-2X and MP2 using aug-cc-pVDZ level of theory. In addition, wB97xd/6-31G* level of theory was used in order to account for the dispersion forces. The results show the possible formation of three adducts, which is stabilized by halogen bond (I), both halogen and hydrogen bonds (II), two hydrogen bonds (III). The binding energies of the complexes reveals stabilization in the order III > II > I. The binding energies of the complexes was increased with increasing the electron affinity and polarizability of halogen atom, the dipole moment of the complexes (I and II), the electrostatic potential on halogen atom (Vmax:i.e σ-hole), and the charge-transfer process through the halogen bond in I. On the other hand, the binding energies of the complexes decreased with increasing the halogen atom electronegativity and the dipole moment of complex III. Natural bond orbital (NBO) analysis was used to investigate the molecular orbital interactions and the charge transfer process upon complexation.

  10. 46 CFR 154.22 - Foreign flag vessel: Certificate of Compliance endorsement application.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.22 Foreign flag vessel: Certificate of Compliance endorsement application. (a... vessel meets § 154.1725(a) (4), (5), and (7). (9) If the vessel is a new gas vessel, or an existing...

  11. 46 CFR 154.22 - Foreign flag vessel: Certificate of Compliance endorsement application.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.22 Foreign flag vessel: Certificate of Compliance endorsement application. (a... vessel meets § 154.1725(a) (4), (5), and (7). (9) If the vessel is a new gas vessel, or an existing...

  12. 46 CFR 154.22 - Foreign flag vessel: Certificate of Compliance endorsement application.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.22 Foreign flag vessel: Certificate of Compliance endorsement application. (a... certification that the vessel meets § 154.1725(a) (4), (5), and (7). (9) If the vessel is a new gas vessel, or...

  13. 46 CFR 154.22 - Foreign flag vessel: Certificate of Compliance endorsement application.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... (CONTINUED) CERTAIN BULK DANGEROUS CARGOES SAFETY STANDARDS FOR SELF-PROPELLED VESSELS CARRYING BULK LIQUEFIED GASES General § 154.22 Foreign flag vessel: Certificate of Compliance endorsement application. (a... certification that the vessel meets § 154.1725(a) (4), (5), and (7). (9) If the vessel is a new gas vessel, or...

  14. Engineering of new-to-nature halogenated indigo precursors in plants.

    PubMed

    Fräbel, Sabine; Wagner, Bastian; Krischke, Markus; Schmidts, Volker; Thiele, Christina M; Staniek, Agata; Warzecha, Heribert

    2018-03-01

    Plants are versatile chemists producing a tremendous variety of specialized compounds. Here, we describe the engineering of entirely novel metabolic pathways in planta enabling generation of halogenated indigo precursors as non-natural plant products. Indican (indolyl-β-D-glucopyranoside) is a secondary metabolite characteristic of a number of dyers plants. Its deglucosylation and subsequent oxidative dimerization leads to the blue dye, indigo. Halogenated indican derivatives are commonly used as detection reagents in histochemical and molecular biology applications; their production, however, relies largely on chemical synthesis. To attain the de novo biosynthesis in a plant-based system devoid of indican, we employed a sequence of enzymes from diverse sources, including three microbial tryptophan halogenases substituting the amino acid at either C5, C6, or C7 of the indole moiety. Subsequent processing of the halotryptophan by bacterial tryptophanase TnaA in concert with a mutant of the human cytochrome P450 monooxygenase 2A6 and glycosylation of the resulting indoxyl derivatives by an endogenous tobacco glucosyltransferase yielded corresponding haloindican variants in transiently transformed Nicotiana benthamiana plants. Accumulation levels were highest when the 5-halogenase PyrH was utilized, reaching 0.93 ± 0.089 mg/g dry weight of 5-chloroindican. The identity of the latter was unambiguously confirmed by NMR analysis. Moreover, our combinatorial approach, facilitated by the modular assembly capabilities of the GoldenBraid cloning system and inspired by the unique compartmentation of plant cells, afforded testing a number of alternative subcellular localizations for pathway design. In consequence, chloroplasts were validated as functional biosynthetic venues for haloindican, with the requisite reducing augmentation of the halogenases as well as the cytochrome P450 monooxygenase fulfilled by catalytic systems native to the organelle. Thus, our study

  15. Chromatographic resolution of closely related species in pharmaceutical chemistry: dehalogenation impurities and mixtures of halogen isomers.

    PubMed

    Regalado, Erik L; Zhuang, Ping; Chen, Yadan; Makarov, Alexey A; Schafer, Wes A; McGachy, Neil; Welch, Christopher J

    2014-01-07

    In recent years, the use of halogen-containing molecules has proliferated in the pharmaceutical industry, where the incorporation of halogens, especially fluorine, has become vitally important for blocking metabolism and enhancing the biological activity of pharmaceuticals. The chromatographic separation of halogen-containing pharmaceuticals from associated isomers or dehalogenation impurities can sometimes be quite difficult. In an attempt to identify the best current tools available for addressing this important problem, a survey of the suitability of four chromatographic method development platforms (ultra high-performance liquid chromatography (UHPLC), core shell HPLC, achiral supercritical fluid chromatography (SFC) and chiral SFC) for separating closely related mixtures of halogen-containing pharmaceuticals and their dehalogenated isosteres is described. Of the 132 column and mobile phase combinations examined for each mixture, a small subset of conditions were found to afford the best overall performance, with a single UHPLC method (2.1 × 50 mm, 1.9 μm Hypersil Gold PFP, acetonitrile/methanol based aqueous eluents containing either phosphoric or perchloric acid with 150 mM sodium perchlorate) affording excellent separation for all samples. Similarly, a survey of several families of closely related halogen-containing small molecules representing the diversity of impurities that can sometimes be found in purchased starting materials for synthesis revealed chiral SFC (Chiralcel OJ-3 and Chiralpak IB, isopropanol or ethanol with 25 mM isobutylamine/carbon dioxide) as well as the UHPLC (2.1 × 50 mm, 1.8 μm ZORBAX RRHD Eclipse Plus C18 and the Gold PFP, acetonitrile/methanol based aqueous eluents containing phosphoric acid) as preferred methods.

  16. A box model study on photochemical interactions between VOCs and reactive halogen species in the marine boundary layer

    NASA Astrophysics Data System (ADS)

    Toyota, K.; Kanaya, Y.; Takahashi, M.; Akimoto, H.

    2004-09-01

    A new chemical scheme is developed for the multiphase photochemical box model SEAMAC (size-SEgregated Aerosol model for Marine Air Chemistry) to investigate photochemical interactions between volatile organic compounds (VOCs) and reactive halogen species in the marine boundary layer (MBL). Based primarily on critically evaluated kinetic and photochemical rate parameters as well as a protocol for chemical mechanism development, the new scheme has achieved a near-explicit description of oxidative degradation of up to C3-hydrocarbons (CH4, C2H6, C3H8, C2H4, C3H6, and C2H2) initiated by reactions with OH radicals, Cl- and Br-atoms, and O3. Rate constants and product yields for reactions involving halogen species are taken from the literature where available, but the majority of them need to be estimated. In particular, addition reactions of halogen atoms with alkenes will result in forming halogenated organic intermediates, whose photochemical loss rates are carefully evaluated in the present work. Model calculations with the new chemical scheme reveal that the oceanic emissions of acetaldehyde (CH3CHO) and alkenes (especially C3H6) are important factors for regulating reactive halogen chemistry in the MBL by promoting the conversion of Br atoms into HBr or more stable brominated intermediates in the organic form. The latter include brominated hydroperoxides, bromoacetaldehyde, and bromoacetone, which sequester bromine from a reactive inorganic pool. The total mixing ratio of brominated organic species thus produced is likely to reach 10-20% or more of that of inorganic gaseous bromine species over wide regions over the ocean. The reaction between Br atoms and C2H2 is shown to be unimportant for determining the degree of bromine activation in the remote MBL. These results imply that reactive halogen chemistry can mediate a link between the oceanic emissions of VOCs and the behaviors of compounds that are sensitive to halogen chemistry such as dimethyl sulfide, NOx, and

  17. Four groups of new aromatic halogenated disinfection byproducts: effect of bromide concentration on their formation and speciation in chlorinated drinking water.

    PubMed

    Pan, Yang; Zhang, Xiangru

    2013-02-05

    Bromide is naturally present in source waters worldwide. Chlorination of drinking water can generate a variety of chlorinated and brominated disinfection byproducts (DBPs). Although substantial efforts have been made to examine the effect of bromide concentration on the formation and speciation of halogenated DBPs, almost all previous studies have focused on trihalomethanes and haloacetic acids. Given that about 50% of total organic halogen formed in chlorination remains unknown, it is still unclear how bromide concentration affects the formation and speciation of the new/unknown halogenated DBPs. In this study, chlorinated drinking water samples with different bromide concentrations were prepared, and a novel approach-precursor ion scan using ultra performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry-was adopted for the detection and identification of polar halogenated DBPs in these water samples. With this approach, 11 new putative aromatic halogenated DBPs were identified, and they were classified into four groups: dihalo-4-hydroxybenzaldehydes, dihalo-4-hydroxybenzoic acids, dihalo-salicylic acids, and trihalo-phenols. A mechanism for the formation of the four groups of new aromatic halogenated DBPs was proposed. It was found that increasing the bromide concentration shifted the entire polar halogenated DBPs as well as the four groups of new DBPs from being less brominated to being more brominated; these new aromatic halogenated DBPs might be important intermediate DBPs formed in drinking water chlorination. Moreover, the speciation of the four groups of new DBPs was modeled: the speciation patterns of the four groups of new DBPs well matched those determined from the model equations, and the reactivity differences between HOBr and HOCl in reactions forming the four groups of new DBPs were larger than those in reactions forming trihalomethanes and haloacetic acids.

  18. Reactivity of some halogenated alkanes of 13X molecular sieve

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fevrier, D.; Vernet, J.L.; Mignon, P.

    1977-12-01

    The decomposition and transhalogenation products of trichlorofluoromethane (F 11), dichlorodifluoromethane (F-12), dichlorofluoromethane (F-21), chlorodifluoromethane (F-22), trichlorotrifluoroethane (F-113), and bromotrifluoromethane (F-13B1) in air on 13X molecular sieve at 150/sup o/ and 320/sup o/C were analyzed. All compounds decomposed to some extent except F-13B1 and F-113 at 150/sup o/C. The decomposition product was carbon dioxide except from F-21 and F-22, which decomposed more readily than the other Freons because of their hydrogen atoms and which yielded carbon monoxide. The sieves were not regenerated by sweeping with water in nitrogen, although adsorbed halogens were displaced and formed strong acids. Halogenated hydracids formed alongmore » with carbon dioxide by reaction with constitutional water of the sieves are probably responsible for the destruction of the sieve. Diagram, graphs, tables, and 17 references.« less

  19. Soap films burst like flapping flags.

    PubMed

    Lhuissier, Henri; Villermaux, Emmanuel

    2009-07-31

    When punctured, a flat soap film bursts by opening a hole driven by liquid surface tension. The hole rim does not, however, remain smooth but soon develops indentations at the tip of which ligaments form, ultimately breaking and leaving the initially connex film into a mist of disjointed drops. We report on original observations showing that these indentations result from a flaglike instability between the film and the surrounding atmosphere inducing an oscillatory motion out of its plane. Just like a flag edge flaps in the wind, the film is successively accelerated on both sides perpendicularly to its plane, inducing film thickness modulations and centrifuging liquid ligaments that finally pinch off to form the observed spray. This effect exemplifies how the dynamics of fragile objects such as thin liquid films is sensitive to their embedding medium.

  20. Eight Stars of Gold--The Story of Alaska's Flag. Primary Grade Activities.

    ERIC Educational Resources Information Center

    Alaska State Museum, Juneau.

    This activities booklet focuses on the story of Alaska's flag. The booklet is intended for teachers to use with primary-grade children. Each activity in the booklet contains background information, a summary and time estimate, Alaska state standards, a step-by-step technique for implementing the activity, assessment tips, materials and resource…

  1. Telling a Red Flag from the Real Threat with Students of Today

    ERIC Educational Resources Information Center

    Brunner, Judy; Lewis, Dennis

    2006-01-01

    With what seems like increasing frequency, secondary school administrators are being confronted with students' threats of violence. Unfortunately, some of the words that raise a red flag have now become part of the everyday language of many students, making it difficult to discern between the benign and the dangerous. Although all threats require…

  2. SYNTHESIS AND STUDY OF HALOGENATED BENZYLAMIDES OF SOME ISOCYCLIC AND HETEROCYCLIC ACIDS AS POTENTIAL ANTICONVULSANTS.

    PubMed

    Strupińska, Marzanna; Rostafińska-Suchar, Grażyna; Pirianowicz-Chaber, Elżbieta; Grabczuk, Mateusz; Józwenko, Magdalena; Kowalczyk, Hubert; Szuba, Joanna; Wójcicka, Monika; Chen, Tracy; Mazurek, Aleksander P

    2015-01-01

    A series of potential anticonvulsants have been synthesized. There are eight fluorobenzylamides and three chlorobenzylamides of isocyclic or heterocyclic acids. Two not halogenated benzylamides were also synthesized to compare the effect of halogenation. The aim of the research performed was to evaluate whether halogenation of the mother structure is able to improve its anticonvulsant activity. The compounds were tested in Anticonvulsant Screening Project (ASP) of Antiepileptic Drug Development Program (ADDP) of NIH. Compound 1 showed MES ED50 = 80.32 mg/kg, PI = 3.16. Compound 7 showed CKM ED50 = 56.72 mg/kg. Compound 8 showed MES ED50 = 34.23 mg/kg and scPTZ ED50 > 300 mg/kg, PI = 8.53.Compound 13 showed 6Hz ED50 = 78.96, PI = 3.37. The results indicate that fluorination does not improve activity, whereas chlorination in our experiment even reduces it.

  3. Computational insights into the photocyclization of diclofenac in solution: effects of halogen and hydrogen bonding.

    PubMed

    Bani-Yaseen, Abdulilah Dawoud

    2016-08-21

    The effects of noncovalent interactions, namely halogen and hydrogen bonding, on the photochemical conversion of the photosensitizing drug diclofenac (DCF) in solution were investigated computationally. Both explicit and implicit solvent effects were qualitatively and quantitatively assessed employing the DFT/6-31+G(d) and SQM(PM7) levels of theory. Full geometry optimizations were performed in solution for the reactant DCF, hypothesized radical-based intermediates, and the main product at both levels of theories. Notably, in good agreement with previous experimental results concerning the intermolecular halogen bonding of DCF, the SQM(PM7) method revealed different values for d(ClO, Å) and ∠(C-ClO, °) for the two chlorine-substituents of DCF, with values of 2.63 Å/162° and 3.13 Å/142° for the trans and cis orientations, respectively. Employing the DFT/6-31+G(d) method with implicit solvent effects was not conclusive; however, explicit solvent effects confirmed the key contribution of hydrogen and halogen bonding in stabilizing/destabilizing the reactant and hypothesized intermediates. Interestingly, the obtained results revealed that a protic solvent such as water can increase the rate of photocyclization of DCF not only through hydrogen bonding effects, but also through halogen bonding. Furthermore, the atomic charges of atoms majorly involved in the photocyclization of DCF were calculated using different methods, namely Mulliken, Hirshfeld, and natural bond orbital (NBO). The obtained results revealed that in all cases there is a notable nonequivalency in the noncovalent intermolecular interactions of the two chlorine substituents of DCF and the radical intermediates with the solvent, which in turn may account for the discrepancy of their reactivity in different media. These computational results provide insight into the importance of halogen and hydrogen bonding throughout the progression of the photochemical conversion of DCF in solution.

  4. 75 FR 66125 - Federal Land Managers' Air Quality Related Values Work Group (FLAG)

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-27

    ... DEPARTMENT OF THE INTERIOR National Park Service Federal Land Managers' Air Quality Related Values... Public Comments document. The Federal Land Managers' Air Quality Related Values Work Group (FLAG) was... (the Agencies), to evaluate air pollution effects on their air quality related values (AQRVs); and (2...

  5. Immobilization of FLAG-Tagged Recombinant Adeno-Associated Virus 2 onto Tissue Engineering Scaffolds for the Improvement of Transgene Delivery in Cell Transplants.

    PubMed

    Li, Hua; Zhang, Feng-Lan; Shi, Wen-Jie; Bai, Xue-Jia; Jia, Shu-Qin; Zhang, Chen-Guang; Ding, Wei

    2015-01-01

    The technology of virus-based genetic modification in tissue engineering has provided the opportunity to produce more flexible and versatile biomaterials for transplantation. Localizing the transgene expression with increased efficiency is critical for tissue engineering as well as a challenge for virus-based gene delivery. In this study, we tagged the VP2 protein of type 2 adeno-associated virus (AAV) with a 3×FLAG plasmid at the N-terminus and packaged a FLAG-tagged recombinant AAV2 chimeric mutant. The mutant AAVs were immobilized onto the tissue engineering scaffolds with crosslinked anti-FLAG antibodies by N-succinimidyl-3-(2-pyridyldithiol) propionate (SPDP). Cultured cells were seeded to scaffolds to form 3D transplants, and then tested for viral transduction both in vitro and in vivo. The results showed that our FLAG-tagged AAV2 exerted similar transduction efficiency compared with the wild type AAV2 when infected cultured cells. Following immobilization onto the scaffolds of PLGA or gelatin sponge with anti-FLAG antibodies, the viral mediated transgene expression was significantly improved and more localized. Our data demonstrated that the mutation of AAV capsid targeted for antibody-based immobilization could be a practical approach for more efficient and precise transgene delivery. It was also suggested that the immobilization of AAV might have attractive potentials in applications of tissue engineering involving the targeted gene manipulation in 3D tissue cultures.

  6. 40 CFR 721.329 - Halogenated benzyl ester acrylate (generic).

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... halogenated benzyl ester acrylate (PMN P-90-1527) is subject to reporting under this section for the... substance may cause internal organ effects (kidney and blood). The requirements of this section do not apply... processors of this substance as specified in § 721.125 (a), (b), (c), (d), (f), (g), (h), and (i). (2...

  7. Molecular mechanism of metal-independent decomposition of lipid hydroperoxide 13-HPODE by halogenated quinoid carcinogens.

    PubMed

    Qin, Hao; Huang, Chun-Hua; Mao, Li; Xia, Hai-Ying; Kalyanaraman, Balaraman; Shao, Jie; Shan, Guo-Qiang; Zhu, Ben-Zhan

    2013-10-01

    Halogenated quinones are a class of carcinogenic intermediates and newly identified chlorination disinfection by-products in drinking water. 13-Hydroperoxy-9,11-octadecadienoic acid (13-HPODE) is the most extensively studied endogenous lipid hydroperoxide. Although it is well known that the decomposition of 13-HPODE can be catalyzed by transition metal ions, it is not clear whether halogenated quinones could enhance its decomposition independent of metal ions and, if so, what the unique characteristics and similarities are. Here we show that 2,5-dichloro-1,4-benzoquinone (DCBQ) could markedly enhance the decomposition of 13-HPODE and formation of reactive lipid alkyl radicals such as pentyl and 7-carboxyheptyl radicals, and the genotoxic 4-hydroxy-2-nonenal (HNE), through the complementary application of ESR spin trapping, HPLC-MS, and GC-MS methods. Interestingly, two chloroquinone-lipid alkoxyl conjugates were also detected and identified from the reaction between DCBQ and 13-HPODE. Analogous results were observed with other halogenated quinones. This represents the first report that halogenated quinoid carcinogens can enhance the decomposition of the endogenous lipid hydroperoxide 13-HPODE and formation of reactive lipid alkyl radicals and genotoxic HNE via a novel metal-independent nucleophilic substitution coupled with homolytic decomposition mechanism, which may partly explain their potential genotoxicity and carcinogenicity. Copyright © 2013 Elsevier Inc. All rights reserved.

  8. Abnormal synergistic effects between Lewis acid-base interaction and halogen bond in F3B···NCX···NCM

    NASA Astrophysics Data System (ADS)

    Tang, Qingjie; Li, Qingzhong

    2015-12-01

    An abnormal synergistic effect was found between the Lewis acid-base interaction and halogen bond in triads F3B···NCX···NCM (X and M are halogen atoms), where the strong Lewis acid-base interaction between F3B and NCX has a larger enhancement than the weak halogen bond between NCX and NCM. This is in contrast with the traditional cooperative effect. It is interesting that the alkali-metal substituent as well as the heavier halogen atom play a more remarkable role in the enhancement of the interaction F3B···NCX than that of NCX···NCM, particularly, the alkali-metal substituent makes the abnormal synergistic effect be the traditional cooperative one.

  9. JPRS Report, China, Red Flag, Number 13, 1 July 1987

    DTIC Science & Technology

    1987-08-26

    wide gap between the rich and the poor is necessary, the problem for China is the "public system." Even ignoring the standpoint of this view of...JPRS-CRF-87-007 29602£ 26 AUGUST 1987 MM*k%\\ FOREIGN BROADCAST INFORMATION SERVICE JPRS Reproduced From Best Available Copy China 1 r...JPRS-CRF-87-007 26 AUGUST 1987 CHINA RED FLAG No 13, 1 July 1987 [Translation of the semimonthly theoretical journal HONGQI of the Central

  10. Laboratory Investigations of Stratospheric Halogen Chemistry

    NASA Technical Reports Server (NTRS)

    Wine, Paul H.; Nicovich, J. Michael; Stickel, Robert E.; Hynes, Anthony J.

    1997-01-01

    A final report for the NASA-supported project on laboratory investigations of stratospheric halogen chemistry is presented. In recent years, this project has focused on three areas of research: (1) kinetic, mechanistic, and thermochemical studies of reactions which produce weakly bound chemical species of atmospheric interest; (2) development of flash photolysis schemes for studying radical-radical reactions of stratospheric interest; and (3) photochemistry studies of interest for understanding stratospheric chemistry. The first section of this paper contains a discussion of work which has not yet been published. All subsequent chapters contain reprints of published papers that acknowledge support from this grant.

  11. The halogenated metabolism of brown algae (Phaeophyta), its biological importance and its environmental significance.

    PubMed

    La Barre, Stéphane; Potin, Philippe; Leblanc, Catherine; Delage, Ludovic

    2010-03-31

    Brown algae represent a major component of littoral and sublittoral zones in temperate and subtropical ecosystems. An essential adaptive feature of this independent eukaryotic lineage is the ability to couple oxidative reactions resulting from exposure to sunlight and air with the halogenations of various substrates, thereby addressing various biotic and abiotic stresses i.e., defense against predators, tissue repair, holdfast adhesion, and protection against reactive species generated by oxidative processes. Whereas marine organisms mainly make use of bromine to increase the biological activity of secondary metabolites, some orders of brown algae such as Laminariales have also developed a striking capability to accumulate and to use iodine in physiological adaptations to stress. We review selected aspects of the halogenated metabolism of macrophytic brown algae in the light of the most recent results, which point toward novel functions for iodide accumulation in kelps and the importance of bromination in cell wall modifications and adhesion properties of brown algal propagules. The importance of halogen speciation processes ranges from microbiology to biogeochemistry, through enzymology, cellular biology and ecotoxicology.

  12. The Halogenated Metabolism of Brown Algae (Phaeophyta), Its Biological Importance and Its Environmental Significance

    PubMed Central

    La Barre, Stéphane; Potin, Philippe; Leblanc, Catherine; Delage, Ludovic

    2010-01-01

    Brown algae represent a major component of littoral and sublittoral zones in temperate and subtropical ecosystems. An essential adaptive feature of this independent eukaryotic lineage is the ability to couple oxidative reactions resulting from exposure to sunlight and air with the halogenations of various substrates, thereby addressing various biotic and abiotic stresses i.e., defense against predators, tissue repair, holdfast adhesion, and protection against reactive species generated by oxidative processes. Whereas marine organisms mainly make use of bromine to increase the biological activity of secondary metabolites, some orders of brown algae such as Laminariales have also developed a striking capability to accumulate and to use iodine in physiological adaptations to stress. We review selected aspects of the halogenated metabolism of macrophytic brown algae in the light of the most recent results, which point toward novel functions for iodide accumulation in kelps and the importance of bromination in cell wall modifications and adhesion properties of brown algal propagules. The importance of halogen speciation processes ranges from microbiology to biogeochemistry, through enzymology, cellular biology and ecotoxicology. PMID:20479964

  13. 14 CFR 27.1505 - Never-exceed speed.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Never-exceed speed. 27.1505 Section 27.1505... Never-exceed speed. (a) The never-exceed speed, VNE, must be established so that it is— (1) Not less than 40 knots (CAS); and (2) Not more than the lesser of— (i) 0.9 times the maximum forward speeds...

  14. 14 CFR 27.1505 - Never-exceed speed.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Never-exceed speed. 27.1505 Section 27.1505... Never-exceed speed. (a) The never-exceed speed, VNE, must be established so that it is— (1) Not less than 40 knots (CAS); and (2) Not more than the lesser of— (i) 0.9 times the maximum forward speeds...

  15. Developing an early alert system for metastatic spinal cord compression (MSCC): Red Flag credit cards.

    PubMed

    Turnpenney, Jackie; Greenhalgh, Sue; Richards, Lena; Crabtree, Annamaria; Selfe, James

    2015-01-01

    To produce a user-friendly list of metastatic spinal cord compression (MSCC) Red Flags for non-specialist 'generalist' front-line clinicians working in primary-care settings. The issue of identifying MSCC early to prevent serious long-term disability was a key theme identified by the Task and Finish Group at Greater Manchester and Cheshire Cancer Network (GMCCN) in 2009. It was this group who initially brokered and then coordinated the current development as part of their strategic approach to improving care for MSCC patients. A consensus-building approach that considered the essential minimum data requirements to raise the index of suspicion suggestive of MSCC was adopted. This followed a model of cross-boundary working to facilitate the mutual sharing of expertise across a variety of relevant clinical specialisms. A guideline aimed at helping clinicians to identify the early signs and symptoms of MSCC was produced in the form of a credit card. This credit card includes key statements about MSCC, signposting to key sources of additional information and a user-friendly list of Red Flags which has been developed into an eight-item Red Flag mnemonic. To date, an excess of 120,000 cards have been printed by a variety of organisations and the distribution of the cards is ongoing across the United Kingdom and the Republic of Ireland.

  16. A Simple Base-Mediated Halogenation of Acidic sp2 C-H Bonds under Non-Cryogenic Conditions

    PubMed Central

    Do, Hien-Quang; Daugulis, Olafs

    2009-01-01

    A new method has been developed for in situ halogenation of acidic sp2 carbon-hydrogen bonds in heterocycles and electron-deficient arenes. Either selective monohalogenation or one-step exhaustive polyhalogenation is possible for substrates possessing several C-H bonds that are flanked by electron-withdrawing groups. For the most acidic arenes, such as pentafluorobenzene, K3PO4 base can be employed instead of BuLi for metalation/halogenation sequences. PMID:19102661

  17. Halogens in normal- and enriched-basalts from Central Indian Ridge (18-20°S): Testing the E-MORB subduction origin hypothesis

    NASA Astrophysics Data System (ADS)

    Ruzie, L.; Burgess, R.; Hilton, D. R.; Ballentine, C. J.

    2012-12-01

    Basalts emitted along oceanic ridges have often been subdivided into two categories: the Normal-MORB and the Enriched-MORB, anomalously enriched in highly incompatible elements. Donnelly et al. (2004) proposed that the formation of enriched sources is related to two stages of melting. The first one occurs in subduction zones where the mantle wedge is enriched by the addition of low-degree melts of subducted slab. The second stage of melting occurs beneath ocean ridges. Because of their incompatibility, relatively high concentrations and distinct elemental compositions in surface reservoirs, the heavy halogens (Cl, Br, I) are good tracers to detect the slab contribution in E-MORB sources. However, the halogen systematics in mantle reservoirs remains poorly constrained mainly because of their very low abundance in materials of interest. An innovative halogen analytical technique, developed at the University of Manchester, involving neutron irradiation of samples to convert halogens to noble gases provides detection limits unmatched by any other technique studies [Johnson et al. 2000]. For the first time Cl, Br and I can now be determined in appropriate samples. We focus on the content of halogens in the glassy margins of basalts erupted along the CIR from 18-20°S and the off-axis Gasitao Ridge. Our set of samples contains both N- and E-MORB and is fully described in terms of major and trace elements, as well as 3He/4He ratios and water concentrations [Murton et al., 2005; Nauret et al., 2006; Füri et al., 2011; Barry et al., in prep.]. The halogen concentration range is between 10 and 140 ppm for Cl, 30 and 500 ppb for Br and 0.8 and 10 ppb for I. The higher concentrations are found in E-MORB samples from the northern part of ridge axis. Comparing our data with previous halogen studies, our sample suites fall within the range of N-MORB from East Pacific Ridge (EPR) and Mid-Atlantic Ridge (MAR) [Jambon et al. 1995; Deruelle et al. 1992] and in the lower range of E

  18. Low-Level detections of halogenated volatile organic compounds in groundwater: Use in vulnerability assessments

    USGS Publications Warehouse

    Plummer, Niel; Busenberg, E.; Eberts, S.M.; Bexfield, L.M.; Brown, C.J.; Fahlquist, L.S.; Katz, B.G.; Landon, M.K.

    2008-01-01

    Concentrations of halogenated volatile organic compounds (VOCs) were determined by gas chromatography (GC) with an electron-capture detector (GC-ECD) and by gas chromatography with mass spectrometry (GC-MS) in 109 groundwater samples from five study areas in the United States. In each case, the untreated water sample was used for drinking-water purposes or was from a monitoring well in an area near a drinking-water source. The minimum detection levels (MDLs) for 25 VOCs that were identified in GC-ECD chromatograms, typically, were two to more than four orders of magnitude below the GC-MS MDLs. At least six halogenated VOCs were detected in all of the water samples analyzed by GC-ECD, although one or more VOCs were detected in only 43% of the water samples analyzed by GC-MS. In nearly all of the samples, VOC concentrations were very low and presented no known health risk. Most of the low-level VOC detections indicated post-1940s recharge, or mixtures of recharge that contained a fraction of post-1940s water. Concentrations of selected halogenated VOCs in groundwater from natural and anthropogenic atmospheric sources were estimated and used to recognize water samples that are being impacted by nonatmospheric sources. A classification is presented to perform vulnerability assessments at the scale of individual wells using the number of halogenated VOC detections and total dissolved VOC concentrations in samples of untreated drinking water. The low-level VOC detections are useful in vulnerability assessments, particularly for samples in which no VOCs are detected by GC-MS analysis.

  19. 14 CFR 121.551 - Restriction or suspension of operation: Domestic and flag operations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 3 2010-01-01 2010-01-01 false Restriction or suspension of operation: Domestic and flag operations. 121.551 Section 121.551 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION... conditions, that are a hazard to safe operations, it shall restrict or suspend operations until those...

  20. 14 CFR 121.551 - Restriction or suspension of operation: Domestic and flag operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Restriction or suspension of operation: Domestic and flag operations. 121.551 Section 121.551 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION... conditions, that are a hazard to safe operations, it shall restrict or suspend operations until those...

  1. 14 CFR 29.1505 - Never-exceed speed.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Never-exceed speed. 29.1505 Section 29.1505....1505 Never-exceed speed. (a) The never-exceed speed, V NE, must be established so that it is— (1) Not less than 40 knots (CAS); and (2) Not more than the lesser of— (i) 0.9 times the maximum forward speeds...

  2. 14 CFR 29.1505 - Never-exceed speed.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Never-exceed speed. 29.1505 Section 29.1505....1505 Never-exceed speed. (a) The never-exceed speed, V NE, must be established so that it is— (1) Not less than 40 knots (CAS); and (2) Not more than the lesser of— (i) 0.9 times the maximum forward speeds...

  3. Shear bond strength of a bracket-bonding system cured with a light-emitting diode or halogen-based light-curing unit at various polymerization times

    PubMed Central

    Gupta, Sanjay Prasad; Shrestha, Basanta Kumar

    2018-01-01

    Purpose To determine and compare the shear bond strength (SBS) of bracket-bonding system cured with light-emitting diode (LED) and halogen-based light-curing unit at various polymerization times. Materials and methods Ninety six human maxillary premolar teeth extracted for orthodontic purpose were divided into four groups, according to the light-curing unit and exposure times used. In the halogen group, the specimens were light cured for 20 and 40 seconds. In the LED group, the specimens were light cured for 5 and 10 seconds. Stainless steel brackets were bonded with Enlight bonding system, stored in distilled water at 37°C for 24 hours and then submitted to SBS testing in a universal testing machine at a crosshead speed of 0.5 mm/minute. Adhesive remnant index (ARI) was used to evaluate the amount of adhesive remaining on the teeth determined by stereomicroscope at 10× magnification. Results The highest mean SBS was obtained with the halogen 40 seconds (18.27 MPa) followed by halogen 20 seconds (15.36 MPa), LED 10 seconds (14.60 MPa) and least with LED 5 seconds (12.49 MPa) group. According to analysis of variance (ANOVA) and Tukey’s multiple-comparison test, SBS of halogen 20 seconds group was not significantly different from halogen 40 seconds group, LED 5 seconds group and LED 10 seconds group, whereas halogen 40 seconds group was significantly different from LED 5 seconds and LED 10 seconds group. The method of light curing did not influence the ARI, with score 2 being predominant. Conclusion Polymerization with both halogen and LED resulted in SBS values that were clinically acceptable for orthodontic treatment in all groups. Hence, for bonding orthodontic brackets, photoactivation with halogen for 20 seconds and LED for 5 seconds is suggested. PMID:29692633

  4. Halogen effect for improving high temperature oxidation resistance of Ti-50Al by anodization

    NASA Astrophysics Data System (ADS)

    Mo, Min-Hua; Wu, Lian-Kui; Cao, Hua-Zhen; Lin, Jun-Pin; Zheng, Guo-Qu

    2017-06-01

    The high temperature oxidation resistance of Ti-50Al was significantly improved via halogen effect which was achieved by anodizing in an ethylene glycol solution containing with fluorine ion. The anodized Ti-50Al with holes and micro-cracks could be self-repaired during oxidation at 1000 °C. The thickness of the oxide scale increases with the prolonging of oxidation time. On the basis of halogen effect for improving the high temperature oxidation resistance of Ti-50Al by anodization, only fluorine addition into the electrolyte can effectively improve the high temperature oxidation resistance of Ti-50Al.

  5. JPRS Report, China, Red Flag, Number 10, 16 May 1987

    DTIC Science & Technology

    1987-07-24

    Correct Course (pp 8-13) ( Li Xif an) . • 9 Think Over Whom To Serve and How To Serve (pp 13-14) (Liu Shaotang) 1Ö Hug the Fertile Soil of Life...carry out the struggle against bourgeois liberalization in a deep-going way? The key lies in following the requirements of the central documents and...FROM THE CORRECT COURSE Beijing HONGQI [RED FLAG] in Chinese No 10, 16 May 87 pp 8-13 [Article by Li Xifan [2621 1585 0416

  6. Effect of halogenated substituents on the metabolism and estrogenic effects of the equine estrogen, equilenin.

    PubMed

    Liu, Xuemei; Zhang, Fagen; Liu, Hong; Burdette, Joanna E; Li, Yan; Overk, Cassia R; Pisha, Emily; Yao, Jiaqin; van Breemen, Richard B; Swanson, Steven M; Bolton, Judy L

    2003-06-01

    Estrogen replacement therapy has been correlated with an increased risk for developing breast and endometrial cancers. One potential mechanism of estrogen carcinogenesis involves metabolism of estrogens to 2- and 4-hydroxylated catechols, which are further oxidized to electrophilic/redox active o-quinones that have the potential to both initiate and promote the carcinogenic process. Previously, we showed that the equine estrogens, equilin and equilenin, which are major components of the estrogen replacement formulation Premarin (Wyeth-Ayerst), are primarily metabolized to the catechol, 4-hydroxyequilenin. This catechol was found to autoxidize to an o-quinone causing oxidation and alkylation of DNA in vitro and in vivo. To block catechol formation from equilenin, 4-halogenated equilenin derivatives were synthesized. These derivatives were tested for their ability to bind to the estrogen receptor, induce estrogen sensitive genes, and their potential to form catechol metabolites. We found that the 4-fluoro derivatives were more estrogenic than the 4-chloro and 4-bromo derivatives as demonstrated by a higher binding affinity for estrogen receptors alpha and beta, an enhanced induction of alkaline phosphatase activity in Ishikawa cells, pS2 expression in S30 cells, and PR expression in Ishikawa cells. Incubation of these compounds with tyrosinase in the presence of GSH showed that the halogenated equilenin compounds formed less catechol GSH conjugates than the parent compounds, equilenin and 17beta-hydroxyequilenin. In addition, these halogenated compounds showed less cytotoxicity in the presence of tyrosinase than the parent compounds in S30 cells. Also, as stated above, the 4-fluoro derivatives showed similar estrogenic effects as compared with parent compounds; however, they were less toxic in S30 cells as compared to equilenin and 17beta-equilenin. Because 17beta-hydroxy-4-halogenated equilenin derivatives showed higher estrogenic effects than the halogenated

  7. Mid-latitude Ozone Depletion Events Caused by Halogens from the Great Salt Lake in Utah

    NASA Astrophysics Data System (ADS)

    Fibiger, D. L.; Goldberger, L.; Womack, C.; McDuffie, E. E.; Dube, W. P.; Franchin, A.; Middlebrook, A. M.; Thornton, J. A.; Brown, S. S.

    2017-12-01

    Halogens are highly reactive chemicals and play an important role in atmospheric chemistry. They can be involved in many cycles which influence the oxidizing capacity of the atmosphere, including through destruction of ozone (O3). While the influence of halogens on O3 is well documented in the arctic, there are very few observations of O3 depletion driven by halogens in the mid-latitudes. To date, the most comprehensive study observed co-occurring plumes of BrO and depleted O3 near the Dead Sea in 1997. During the Utah Wintertime Fine Particulate Study (UWFPS) in winter 2017, simultaneous measurements of a comprehensive suite of halogen measurements by I- chemical ionization mass spectrometry and O3 from cavity ring-down spectroscopy, both at 1-second time resolution, were taken on a NOAA Twin Otter Aircraft over the Great Salt Lake and in the surrounding valleys. Many O3 depletion events were observed over the lake with O3 values sometimes below the instrument detection limit of 0.5 ppbv. Corresponding increases in BrO and/or ClO were observed. Many of these events were caused by extremely high levels of halogens (up to 1 ppmv Cl2) emitted from the U.S. Magnesium plant on the edge of the lake. The O3 depletion caused by U.S. Magnesium was usually isolated to a distinct vertical layer, but in other cases O3 depletion was vertically mixed and the origin of halogen activation was not immediately clear. The most complete O3 depletion was observed over the lake, but there were smaller events of a few ppbv observed in the adjacent valleys, including the highly populated Salt Lake Valley, with corresponding plumes of BrO and ClO, due to transport from the lake. Additionally, meteorology played a role in the observed O3 depletion. The strongest O3 depletion was observed during inversion events, when there is a low boundary layer and little mixing out of the air above the lake. During non-inversion conditions, only small depletions were observed, covering a much smaller

  8. Hydration of the Atlantis Massif: Halogen, Noble Gas and In-Situ δ18O Constraints

    NASA Astrophysics Data System (ADS)

    Williams, M. J.; Kendrick, M. A.; Rubatto, D.

    2017-12-01

    A combination of halogen (Cl, Br, I), noble gases (He, Ne, Ar, Kr and Xe) and in situ oxygen isotope analysis have been utilized to investigate the fluid-mobile element record of hydration and alteration processes at the Atlantis Massif (30°N on the Mid-Atlantic Ridge). The sample suite investigated includes serpentinite, talc-amphibole ± chlorite schist and hydrated gabbro recovered by seafloor drilling undertaken at sites on a transect across the Atlantis Massif during IODP Expedition 357. Serpentine mesh and veins analysed in-situ by SHRIMP SI exhibit δ18O from 6‰ down to ≈0‰, suggesting serpentinization temperatures of 150 to >280°C and water/rock ratios >5. Differences of 1.5-2.5‰ are observed between adjacent generations of serpentine, but the δ18O range is similar at each investigated drilling site. Halogen and noble gas abundances in serpentinites, talc-amphibole schist and hydrated gabbro have been measured by noble gas mass spectrometry of both irradiated and non-irradiated samples. Serpentinites contain low abundances of halogens and noble gases (e.g. 70-430 ppm Cl, 4.7-12.2 x 10-14 mol/g 36Ar) relative to other seafloor serpentinites. The samples have systematically different Br/Cl and I/Cl ratios related to their mineralogy. Serpentinites retain mantle-like Br/Cl with a wide variation in I/Cl that stretches toward seawater values. Talc-amphibole schists exhibit depletion of Br and I relative to Cl with increasing Cl abundances, suggesting tremolite exerts strong control on halogen abundance ratios. Serpentinites show no evidence of interaction with halogen-rich sedimentary pore fluids. Iodine abundances are variable across serpentinites, and are decoupled from Br and Cl; iodine enrichment (up to 530 ppb) is observed within relatively oxidised and clay-bearing samples. Serpentinized harzburgites exhibit distinct depletion of Kr and Xe relative to atmospheric 36Ar in seawater. Oxygen isotope compositions and low abundances of both halogens

  9. Halogen content in Lesser Antilles arc volcanic rocks : exploring subduction recycling

    NASA Astrophysics Data System (ADS)

    Thierry, Pauline; Villemant, Benoit; Caron, Benoit

    2016-04-01

    Halogens (F, Cl, Br and I) are strongly reactive volatile elements which can be used as tracers of igneous processes, through mantle melting, magma differentiation and degassing or crustal material recycling into mantle at subduction zones. Cl, Br and I are higly incompatible during partial melting or fractional cristallization and strongly depleted in melts by H2O degassing, which means that no Cl-Br-I fractionation is expected through magmatic differenciation [current thesis]. Thus, Cl/Br/I ratios in lavas reflect the halogen content of their mantle sources. Whereas these ratios seemed quite constant (e.g. Cl/Br =300 as seawater), recent works suggest significant variations in arc volcanism [1,2]. In this work we provide high-precision halogen measurements in volcanic rocks from the recent activity of the Lesser Antilles arc (Montserrat, Martinique, Guadeloupe, Dominique). Halogen contents of powdered samples were determined through extraction in solution by pyrohydrolysis and analysed by Ion Chromatography for F and Cl and high performance ICP-MS (Agilent 8800 Tripe Quad) for Cl, Br and I [3,4]. We show that lavas - and mantle sources - display significant vraiations in Cl/Br/I ratios along the Lesser Antilles arc. These variations are compared with Pb, Nd and Sr isotopes and fluid-mobile elements (Ba, U, Sr, Pb etc.) compositions which vary along the arc from a nothern ordinary arc compositions to a southern 'crustal-like' composition [5,6]. These characteristics are attributed to subducted sediments recycling into the mantle wedge, whose contribution vary along the arc from north to south [7,8]. The proportion of added sediments is also related to the distance to the trench as sediment melting and slab dehydration may occur depending on the slab depth [9]. Further Cl-Br-I in situ measurements by LA-ICP-MS in Lesser Antilles arc lavas melt inclusions will be performed, in order to provide better constraints on the deep halogen recycling cycle from crust to

  10. Origin of the X-Hal (Hal = Cl, Br) bond-length change in the halogen-bonded complexes.

    PubMed

    Wang, Weizhou; Hobza, Pavel

    2008-05-01

    The origin of the X-Hal bond-length change in the halogen bond of the X-Hal...Y type has been investigated at the MP2(full)/6-311++G(d,p) level of theory using a natural bond orbital analysis, atoms in molecules procedure, and electrostatic potential fitting methods. Our results have clearly shown that various theories explaining the nature of the hydrogen bond cannot be applied to explain the origin of the X-Hal bond-length change in the halogen bond. We provide a new explanation for this change. The elongation of the X-Hal bond length is caused by the electron-density transfer to the X-Hal sigma* antibonding orbital. For the blue-shifting halogen bond, the electron-density transfer to the X-Hal sigma* antibonding orbital is only of minor importance; it is the electrostatic attractive interaction that causes the X-Hal bond contraction.

  11. A facile approach towards increasing the nitrogen-content in nitrogen-doped carbon nanotubes via halogenated catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Ombaka, L.M.; Ndungu, P.G.; Department of Applied Chemistry, Doornfontein Campus, University of Johannesburg, P.O. Box 17011, Johannesburg 2028

    Nitrogen-doped carbon nanotubes (N-CNTs) have been synthesized at 850 °C via a CVD deposition technique by use of three ferrocenyl derivative catalysts, i.e. para-CN, -CF{sub 3} and -Cl substituted-phenyl rings. The synthesized catalysts have been characterized by NMR, IR, HR-MS and XRD. The XRD analysis of the para-CF{sub 3} catalyst indicates that steric factors influence the X-ray structure of 1,1′-ferrocenylphenyldiacrylonitriles. Acetonitrile or pyridine was used as carbon and nitrogen sources to yield mixtures of N-CNTs and carbon spheres (CS). The N-CNTs obtained from the para-CF{sub 3} catalysts, in pyridine, have the highest nitrogen-doping level, show a helical morphology and aremore » less thermally stable compared with those synthesized by use of the para-CN and -Cl as catalyst. This suggests that fluorine heteroatoms enhance nitrogen-doping in N-CNTs and formation of helical-N-CNTs (H-N-CNTs). The para-CF{sub 3} and para-Cl catalysts in acetonitrile yielded iron-filled N-CNTs, indicating that halogens promote encapsulation of iron into the cavity of N-CNT. The use of acetonitrile, as carbon and nitrogen source, with the para-CN and -Cl as catalysts also yielded a mixture of N-CNTs and carbon nanofibres (CNFs), with less abundance of CNFs in the products obtained using para-Cl catalysts. However, para-CF{sub 3} catalyst in acetonitrile gave N-CNTs as the only shaped carbon nanomaterials. - Graphical abstract: Graphical abstract showing the synthesis of N-CNTs using halogenated-ferrocenyl derivatives as catalyst with pyridine or acetonitrile as nitrogen and carbon sources via the chemical vapour deposition technique. - Highlights: • N-CNTs were synthesized from halogenated ferrocenyl catalysts. • Halogenated catalysts promote nitrogen-doping and pyridinic nitrogen in N-CNTs. • Halogenated catalysts facilitate iron filling of N-CNTs.« less

  12. Long-term Studies of Marine Halogen Release

    NASA Astrophysics Data System (ADS)

    Tschritter, J.; Holla, R.; Frieß, U.; Platt, U.

    2009-04-01

    Institute of Enviromental Physics, Heidelberg, Germany. Long term measurements of atmospheric trace gases using multi-axis DOAS instruments are pursued at the new SOLAS observatory on the island of Sao Vicente, (Cape Verde). This research is part of the SOPRAN (Surface Ocean Processes in the ANthropocene) project (Fördernummer:03F0462F). Reactive halogen species (RHS) such as bromine- and iodine- containing species play major roles in the chemistry of ozone in both the troposphere and lower stratosphere and thus possibly influence the ozone budget on a global scale. In addition iodine-species emitted from the ocean surface have been shown to be responsible for the production of new atmospheric particles in the marine boundary layer. This may have an effect on cloud formation and radiation transfer on local and global scales. Long term measurements of RHS abundances will help to identify their key regions and processes for formation. A new long term Multi-MAX-DOAS instrument has been installed at the SOLAS observatory on the island of Sao Vicente, (Cape Verde). The main focus of these unique measurements is the investigation of reactive halogen chemistry in the subtropical marine boundary layer based on measurements of BrO, IO, and possibly OIO. Because of its wide spectral range also the use for O4-retrievals to gain aerosol profiles is possible. IO has been detected with mixing ratios up to 1.3 ppt. For BrO an upper limit of 2 ppt could be determined.

  13. Process for removing halogenated aliphatic and aromatic compounds from petroleum products. [Polychlorinated biphenyls; methylene chloride; perchloroethylene; trichlorofluoroethane; trichloroethylene; chlorobenzene

    DOEpatents

    Googin, J.M.; Napier, J.M.; Travaglini, M.A.

    1982-03-31

    A process for removing halogenated aliphatic and aromatic compounds, e.g., polychlorinated biphenyls, from petroleum products by solvent extraction. The halogenated aliphatic and aromatic compounds are extracted from a petroleum product into a polar solvent by contracting the petroleum product with the polar solvent. The polar solvent is characterized by a high solubility for the extracted halogenated aliphatic and aromatic compounds, a low solubility for the petroleum product and considerable solvent power for polyhydroxy compound. The preferred polar solvent is dimethylformamide. A miscible polyhydroxy compound, such as, water, is added to the polar extraction solvent to increase the polarity of the polar extraction solvent. The halogenated aliphatic and aromatic compounds are extracted from the highly-polarized mixture of polyhydroxy compound and polar extraction solvent into a low polar or nonpolar solvent by contacting the polyhydroxy compound-polar solvent mixture with the low polar or nonpolar solvent. The halogenated aliphatic and aromatic compounds in the low polar or nonpolar solvent by physical means, e.g., vacuum evaporation. The polar and nonpolar solvents are recovered for recycling. The process can easily be designed for continuous operation. Advantages of the process include that the polar solvent and a major portion of the nonpolar solvent can be recycled, the petroleum products are reclaimable and the cost for disposing of waste containing polychlorinated biphenyls is significantly reduced. 2 tables.

  14. Impact of enhanced ozone deposition and halogen chemistry on model performance

    EPA Science Inventory

    In this study, an enhanced ozone deposition scheme due to the interaction of iodide in sea-water and atmospheric ozone and the detailed chemical reactions of organic and inorganic halogen species are incorporated into the hemispheric Community Multiscale Air Quality model. Prelim...

  15. The Readmission Risk Flag: Using the Electronic Health Record to Automatically Identify Patients at Risk for 30-day Readmission

    PubMed Central

    Baillie, Charles A.; VanZandbergen, Christine; Tait, Gordon; Hanish, Asaf; Leas, Brian; French, Benjamin; Hanson, C. William; Behta, Maryam; Umscheid, Craig A.

    2015-01-01

    Background Identification of patients at high risk for readmission is a crucial step toward improving care and reducing readmissions. The adoption of electronic health records (EHR) may prove important to strategies designed to risk stratify patients and introduce targeted interventions. Objective To develop and implement an automated prediction model integrated into our health system’s EHR that identifies on admission patients at high risk for readmission within 30 days of discharge. Design Retrospective and prospective cohort. Setting Healthcare system consisting of three hospitals. Patients All adult patients admitted from August 2009 to September 2012. Interventions An automated readmission risk flag integrated into the EHR. Measures Thirty-day all-cause and 7-day unplanned healthcare system readmissions. Results Using retrospective data, a single risk factor, ≥2 inpatient admissions in the past 12 months, was found to have the best balance of sensitivity (40%), positive predictive value (31%), and proportion of patients flagged (18%), with a c-statistic of 0.62. Sensitivity (39%), positive predictive value (30%), proportion of patients flagged (18%) and c-statistic (0.61) during the 12-month period after implementation of the risk flag were similar. There was no evidence for an effect of the intervention on 30-day all-cause and 7-day unplanned readmission rates in the 12-month period after implementation. Conclusions An automated prediction model was effectively integrated into an existing EHR and identified patients on admission who were at risk for readmission within 30 days of discharge. PMID:24227707

  16. The readmission risk flag: using the electronic health record to automatically identify patients at risk for 30-day readmission.

    PubMed

    Baillie, Charles A; VanZandbergen, Christine; Tait, Gordon; Hanish, Asaf; Leas, Brian; French, Benjamin; Hanson, C William; Behta, Maryam; Umscheid, Craig A

    2013-12-01

    Identification of patients at high risk for readmission is a crucial step toward improving care and reducing readmissions. The adoption of electronic health records (EHR) may prove important to strategies designed to risk stratify patients and introduce targeted interventions. To develop and implement an automated prediction model integrated into our health system's EHR that identifies on admission patients at high risk for readmission within 30 days of discharge. Retrospective and prospective cohort. Healthcare system consisting of 3 hospitals. All adult patients admitted from August 2009 to September 2012. An automated readmission risk flag integrated into the EHR. Thirty-day all-cause and 7-day unplanned healthcare system readmissions. Using retrospective data, a single risk factor, ≥ 2 inpatient admissions in the past 12 months, was found to have the best balance of sensitivity (40%), positive predictive value (31%), and proportion of patients flagged (18%), with a C statistic of 0.62. Sensitivity (39%), positive predictive value (30%), proportion of patients flagged (18%), and C statistic (0.61) during the 12-month period after implementation of the risk flag were similar. There was no evidence for an effect of the intervention on 30-day all-cause and 7-day unplanned readmission rates in the 12-month period after implementation. An automated prediction model was effectively integrated into an existing EHR and identified patients on admission who were at risk for readmission within 30 days of discharge. © 2013 Society of Hospital Medicine.

  17. Halogenated fatty amides - A brand new class of disinfection by-products.

    PubMed

    Kosyakov, Dmitry S; Ul'yanovskii, Nikolay V; Popov, Mark S; Latkin, Tomas B; Lebedev, Albert T

    2017-12-15

    An array of similar halogenated nitrogen-containing compounds with elemental composition C n H 2n NO 2 X, C n H 2n-2 NO 2 X and C n H 2n-1 NOX 2 (X = Cl, Br; n = 16, 18, 22) was detected in drinking water with high performance liquid chromatography - high resolution mass spectrometry (HPLC-HRMS) method. Compounds of this type were never mentioned among disinfection by-products. Tandem mass spectrometry allowed referring them to halohydrines or dihalogenated fatty amides, the products of conjugated electrophilic addition of halogens to the double bonds of unsaturated fatty amides. The proposed structures were confirmed by conducting aqueous chlorination with standard solution of oleamide. These compounds may be considered as a brand new class of disinfection by products, while their toxicities require special study. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Halogenated Organic Compounds Identified in Hydraulic Fracturing Wastewaters Using Ultrahigh Resolution Mass Spectrometry.

    PubMed

    Luek, Jenna L; Schmitt-Kopplin, Philippe; Mouser, Paula J; Petty, William Tyler; Richardson, Susan D; Gonsior, Michael

    2017-05-16

    Large volumes of water return to the surface following hydraulic fracturing of deep shale formations to retrieve oil and natural gas. Current understanding of the specific organic constituents in these hydraulic fracturing wastewaters is limited to hydrocarbons and a fraction of known chemical additives. In this study, we analyzed hydraulic fracturing wastewater samples using ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) as a nontargeted technique to assign unambiguous molecular formulas to singly charged molecular ions. Halogenated molecular formulas were identified and confirmed using isotopic simulation and MS-MS fragmentation spectra. The abundance of halogenated organic compounds in flowback fluids rather than older wastewaters suggested that the observed molecular ions might have been related to hydraulic fracturing additives and related subsurface reactions, such as through the reaction of shale-extracted chloride, bromide, and iodide with strong oxidant additives (e.g., hypochlorite, persulfate, hydrogen peroxide) and subsequently with diverse dissolved organic matter. Some molecular ions matched the exact masses of known disinfection byproducts including diiodoacetic acid, dibromobenzoic acid, and diiodobenzoic acid. The identified halogenated organic compounds, particularly iodinated organic molecules, are absent from inland natural systems and these compounds could therefore play an important role as environmental tracers.

  19. Retrieval Algorithms for the Halogen Occultation Experiment

    NASA Technical Reports Server (NTRS)

    Thompson, Robert E.; Gordley, Larry L.

    2009-01-01

    The Halogen Occultation Experiment (HALOE) on the Upper Atmosphere Research Satellite (UARS) provided high quality measurements of key middle atmosphere constituents, aerosol characteristics, and temperature for 14 years (1991-2005). This report is an outline of the Level 2 retrieval algorithms, and it also describes the great care that was taken in characterizing the instrument prior to launch and throughout its mission life. It represents an historical record of the techniques used to analyze the data and of the steps that must be considered for the development of a similar experiment for future satellite missions.

  20. Red flags in children with chronic abdominal pain and Crohn's disease-a single center experience.

    PubMed

    El-Chammas, Khalil; Majeskie, Angela; Simpson, Pippa; Sood, Manu; Miranda, Adrian

    2013-04-01

    To compare history and symptoms at initial presentation of patients with chronic abdominal pain (CAP) and Crohn's disease (CD). Red flags are used to help determine which patients with CAP are likely to have an underlying disease such as CD. However, red flags have not been validated and pediatric studies are lacking. Patients seen in the outpatient Pediatric Gastroenterology Clinic at Children's Hospital of Wisconsin between 2005 and 2008 prospectively completed a demographic, history, and symptom questionnaire. Patients with abdominal pain for at least 1 month and no evidence of organic disease were compared with patients diagnosed with CD confirmed by mucosal biopsies. Data were collected on 606 patients (128 with CD and 478 with functional gastrointestinal disorders). Patients with functional gastrointestinal disorders had more stressors (P < .001), were more likely to have a positive family history of irritable bowel syndrome, reflux, or constipation (P < .05), were more likely to have vomiting but less likely to have hematochezia, weight loss, and problems gaining weight (P < .05); wake from sleep and joint pain were no different between groups. Anemia, hematochezia, and weight loss were most predictive of CD (cumulative sensitivity of 94%). The presence of anemia, hematochezia, and weight loss help identify patients with CAP who require further work-up and referral to a pediatric gastroenterologist. Furthermore, waking from sleep or joint pain occurred similarly between groups and should not be considered as "red flags." Copyright © 2013. Published by Mosby, Inc.

  1. EVOLUTION OF AN ANALYTICAL METHOD FOR HALOGENATED FURANONES IN DRINKING WATER

    EPA Science Inventory

    A unified method of detection for seven halogenated furanones present in drinking waters at the ng/L level has been developed. The use of GC/ECD makes this method amenable to manyenvironmental laboratories and water treatment plants in the United States. Detection limits observe...

  2. Preparation, IR spectroscopy, and time-of-flight mass spectrometry of halogenated and methylated Si(111)

    NASA Astrophysics Data System (ADS)

    Salingue, Nils; Hess, Peter

    2011-09-01

    The preparation of chlorine-, bromine-, and iodine-terminated silicon surfaces (Si(111):Cl, Br, and I) using atomically flat Si(111)-(1×1):H is described. The halogenated surfaces were obtained by photochemically induced radical substitution reactions with the corresponding dihalogen in a Schlenk tube by conventional inert gas chemistry. The nucleophilic substitution of the Si-Cl functionality with the Grignard reagent (CH3MgCl) resulted in the unreconstructed methylated Si(111)-(1×1):CH3 surface. The halogenated and methylated silicon surfaces were characterized by Fourier transform infrared (FTIR) spectroscopy and laser-induced desorption of monolayers (LIDOM). Calibration of the desorption temperature via analysis of time-of-flight (TOF) distributions as a function of laser fluence allowed the determination of the originally emitted neutral fragments by TOF mass spectrometry using electron-impact ionization. The halogens were desorbed atomically and as SiX n (X = Cl, Br) clusters. The methyl groups mainly desorbed as methyl and ethyl fragments and a small amount of +SiCH3.

  3. The Impact of New Estimates of Mixing Ratio and Flux-based Halogen Scenarios on Ozone Evolution

    NASA Technical Reports Server (NTRS)

    Oman, Luke D.; Douglass, Anne R.; Liang, Qing; Strahan, Susan E.

    2014-01-01

    The evolution of ozone in the 21st century has been shown to be mainly impacted by the halogen emissions scenario and predicted changes in the circulation of the stratosphere. New estimates of mixing ratio and flux-based emission scenarios have been produced from the SPARC Lifetime Assessment 2013. Simulations using the Goddard Earth Observing System Chemistry-Climate Model (GEOSCCM) are conducted using this new A1 2014 halogen scenario and compared to ones using the A1 2010 scenario. This updated version of GEOSCCM includes a realistic representation of the Quasi-Biennial Oscillation and improvements related to the break up of the Antarctic polar vortex. We will present results of the ozone evolution over the recent past and 21st century to the A1 2010, A1 2014 mixing ratio, and an A1 2014 flux-based halogen scenario. Implications of the uncertainties in these estimates as well as those from possible circulation changes will be discussed.

  4. Current markers of the Athlete Blood Passport do not flag microdose EPO doping.

    PubMed

    Ashenden, Michael; Gough, Clare E; Garnham, Andrew; Gore, Christopher J; Sharpe, Ken

    2011-09-01

    The Athlete Blood Passport is the most recent tool adopted by anti-doping authorities to detect athletes using performance-enhancing drugs such as recombinant human erythropoietin (rhEPO). This strategy relies on detecting abnormal variations in haematological variables caused by doping, against a background of biological and analytical variability. Ten subjects were given twice weekly intravenous injections of rhEPO for up to 12 weeks. Full blood counts were measured using a Sysmex XE-2100 automated haematology analyser, and total haemoglobin mass via a carbon monoxide rebreathing test. The sensitivity of the passport to flag abnormal deviations in blood values was evaluated using dedicated Athlete Blood Passport software. Our treatment regimen elicited a 10% increase in total haemoglobin mass equivalent to approximately two bags of reinfused blood. The passport software did not flag any subjects as being suspicious of doping whilst they were receiving rhEPO. We conclude that it is possible for athletes to use rhEPO without eliciting abnormal changes in the blood variables currently monitored by the Athlete Blood Passport.

  5. Australia 31-GHz brightness temperature exceedance statistics

    NASA Technical Reports Server (NTRS)

    Gary, B. L.

    1988-01-01

    Water vapor radiometer measurements were made at DSS 43 during an 18 month period. Brightness temperatures at 31 GHz were subjected to a statistical analysis which included correction for the effects of occasional water on the radiometer radome. An exceedance plot was constructed, and the 1 percent exceedance statistics occurs at 120 K. The 5 percent exceedance statistics occurs at 70 K, compared with 75 K in Spain. These values are valid for all of the three month groupings that were studied.

  6. Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory.

    PubMed

    George, Janine; Deringer, Volker L; Dronskowski, Richard

    2014-05-01

    Halogen bonds (XBs) are intriguing noncovalent interactions that are frequently being exploited for crystal engineering. Recently, similar bonding mechanisms have been proposed for adjacent main-group elements, and noncovalent "chalcogen bonds" and "pnictogen bonds" have been identified in crystal structures. A fundamental question, largely unresolved thus far, is how XBs and related contacts interact with each other in crystals; similar to hydrogen bonding, one might expect "cooperativity" (bonds amplifying each other), but evidence has been sparse. Here, we explore the crucial step from gas-phase oligomers to truly infinite chains by means of quantum chemical computations. A periodic density functional theory (DFT) framework allows us to address polymeric chains of molecules avoiding the dreaded "cluster effects" as well as the arbitrariness of defining a "large enough" cluster. We focus on three types of molecular chains that we cut from crystal structures; furthermore, we explore reasonable substitutional variants in silico. We find evidence of cooperativity in chains of halogen cyanides and also in similar chalcogen- and pnictogen-bonded systems; the bonds, in the most extreme cases, are amplified through cooperative effects by 79% (I···N), 90% (Te···N), and 103% (Sb···N). Two experimentally known organic crystals, albeit with similar atomic connectivity and XB characteristics, show signs of cooperativity in one case but not in another. Finally, no cooperativity is observed in alternating halogen/acetone and halogen/1,4-dioxane chains; in fact, these XBs weaken each other by up to 26% compared to the respective gas-phase dimers.

  7. Analytical and biological characterization of halogenated gemfibrozil produced through chlorination of wastewater.

    PubMed

    Bulloch, Daryl N; Lavado, Ramon; Forsgren, Kristy L; Beni, Szabolcs; Schlenk, Daniel; Larive, Cynthia K

    2012-05-15

    The cholesterol-lowering pharmaceutical gemfibrozil is a relevant environmental contaminant because of its frequency of detection in U.S. wastewaters at concentrations which have been shown to disrupt endocrine function in aquatic species. The treatment of gemfibrozil solutions with sodium hypochlorite yielded a 4'-chlorinated gemfibrozil analog (chlorogemfibrozil). In the presence of bromide ion, as is often encountered in municipal wastewater, hypobromous acid generated through a halogen exchange reaction produced an additional 4'-brominated gemfibrozil product (bromogemfibrozil). Standards of chloro- and bromogemfibrozil were synthesized, isolated and characterized using mass spectrometry and NMR spectroscopy. Mass spectrometry was used to follow the in situ halogenation reaction of gemfibrozil in deionized water and wastewater matrices, and to measure levels of gemfibrozil (254 ± 20 ng/L), chlorogemfibrozil (166 ± 121 ng/L), and bromogemfibrozil (50 ± 11 ng/L) in advanced primary wastewater treatment effluent treated by chlorination. Chlorogemfibrozil demonstrated a significant (p < 0.05) reduction in the levels of 11-ketotestosterone at 55.1 μg/L and bromogemfibrozil demonstrated a significant (p < 0.05) reduction in the levels of testosterone at 58.8 μg/L in vivo in Japanese medaka in a 21 day exposure. These results indicated that aqueous exposure to halogenated degradates of gemfibrozil enhanced the antiandrogenicity of the parent compound in a model fish species, demonstrating that chlorination may increase the toxicity of pharmaceutically active compounds in surface water.

  8. Intrinsic Chemiluminescence Generation during Advanced Oxidation of Persistent Halogenated Aromatic Carcinogens.

    PubMed

    Mao, Li; Liu, Yu-Xiang; Huang, Chun-Hua; Gao, Hui-Ying; Kalyanaraman, Balaraman; Zhu, Ben-Zhan

    2015-07-07

    The ubiquitous distribution coupled with their carcinogenicity has raised public concerns on the potential risks to both human health and the ecosystem posed by the halogenated aromatic compounds (XAr). Recently, advanced oxidation processes (AOPs) have been increasingly favored as an "environmentally-green" technology for the remediation of such recalcitrant and highly toxic XAr. Here, we show that AOPs-mediated degradation of the priority pollutant pentachlorophenol and all other XAr produces an intrinsic chemiluminescence that directly depends on the generation of the extremely reactive hydroxyl radicals. We propose that the hydroxyl radical-dependent formation of quinoid intermediates and electronically excited carbonyl species is responsible for this unusual chemiluminescence production. A rapid, sensitive, simple, and effective chemiluminescence method was developed to quantify trace amounts of XAr and monitor their real-time degradation kinetics. These findings may have broad biological and environmental implications for future research on this important class of halogenated persistent organic pollutants.

  9. Quantum spin Hall insulator in halogenated arsenene films with sizable energy gaps

    PubMed Central

    Wang, Dongchao; Chen, Li; Shi, Changmin; Wang, Xiaoli; Cui, Guangliang; Zhang, Pinhua; Chen, Yeqing

    2016-01-01

    Based on first-principles calculations, the electronic and topological properties of halogenated (F-, Cl-, Br- and I-) arsenene are investigated in detail. It is found that the halogenated arsenene sheets show Dirac type characteristic in the absence of spin-orbital coupling (SOC), whereas energy gap will be induced by SOC with the values ranging from 0.194 eV for F-arsenene to 0.255 eV for I-arsenene. Noticeably, these four newly proposed two-dimensional (2D) systems are verified to be quantum spin Hall (QSH) insulators by calculating the edge states with obvious linear cross inside bulk energy gap. It should be pointed out that the large energy gap in these 2D materials consisted of commonly used element is quite promising for practical applications of QSH insulators at room temperature. PMID:27340091

  10. Astronaut John Young leaps from lunar surface to salute flag

    NASA Technical Reports Server (NTRS)

    1972-01-01

    Astronaut John W. Young, commander of the Apollo 16 lunar landing mission, leaps from the lunar surface as he salutes the U.S. Flag at the Descartes landing site during the first Apollo 16 extravehicular activity (EVA-1). Astronaut Charles M. Duke Jr., lunar module pilot, took this picture. The Lunar Module (LM) 'Orion' is on the left. The Lunar Roving Vehicle is parked beside the LM. The object behind Young in the shade of the LM is the Far Ultraviolet Camera/Spectrograph. Stone Mountain dominates the background in this lunar scene.

  11. 14 CFR 121.615 - Dispatch or flight release over water: Flag and supplemental operations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 3 2011-01-01 2011-01-01 false Dispatch or flight release over water: Flag and supplemental operations. 121.615 Section 121.615 Aeronautics and Space FEDERAL AVIATION ADMINISTRATION, DEPARTMENT OF TRANSPORTATION (CONTINUED) AIR CARRIERS AND OPERATORS FOR COMPENSATION OR HIRE: CERTIFICATION AND OPERATIONS OPERATING...

  12. The influence of ocean halogen and sulfur emissions in the air quality of a coastal megacity: The case of Los Angeles

    EPA Science Inventory

    The oceans are the main source of natural halogen and sulfur compounds, which have a significant influence on the oxidizing capacity of the marine atmosphere; however, their impact on the air quality of coastal cities is currently unknown. We explore the effect of marine halogens...

  13. Impact of bromide on halogen incorporation into organic moieties in chlorinated drinking water treatment and distribution systems.

    PubMed

    Tan, J; Allard, S; Gruchlik, Y; McDonald, S; Joll, C A; Heitz, A

    2016-01-15

    The impact of elevated bromide concentrations (399 to 750 μg/L) on the formation of halogenated disinfection by-products (DBPs), namely trihalomethanes, haloacetic acids, haloacetonitriles, and adsorbable organic halogen (AOX), in two drinking water systems was investigated. Bromine was the main halogen incorporated into all of the DBP classes and into organic carbon, even though chlorine was present in large excess to maintain a disinfectant residual. Due to the higher reactivity of bromine compared to chlorine, brominated DBPs were rapidly formed, followed by a slower increase in chlorinated DBPs. Higher bromine substitution and incorporation factors for individual DBP classes were observed for the chlorinated water from the groundwater source (lower concentration of dissolved organic carbon (DOC)), which contained a higher concentration of bromide, than for the surface water source (higher DOC). The molar distribution of adsorbable organic bromine to chlorine (AOBr/AOCl) for AOX in the groundwater distribution system was 1.5:1 and almost 1:1 for the surface water system. The measured (regulated) DBPs only accounted for 16 to 33% of the total organic halogen, demonstrating that AOX measurements are essential to provide a full understanding of the formation of halogenated DBPs in drinking waters. In addition, the study demonstrated that a significant proportion (up to 94%) of the bromide in source waters can be converted AOBr. An evaluation of AOBr and AOCl through a second groundwater treatment plant that uses conventional treatment processes for DOC removal produced 70% of AOX as AOBr, with 69% of the initial source water bromide converted to AOBr. Exposure to organobromine compounds is suspected to result in greater adverse health consequences than their chlorinated analogues. Therefore, this study highlights the need for improved methods to selectively reduce the bromide content in source waters. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. Effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds using a modified QSAR model.

    PubMed

    Lim, Seung Joo; Fox, Peter

    2014-02-01

    The effects of halogenated aromatics/aliphatics and nitrogen(N)-heterocyclic aromatics on estimating the persistence of future pharmaceutical compounds were investigated using a modified half life equation. The potential future pharmaceutical compounds investigated were approximately 2000 pharmaceutical drugs currently undergoing the United States Food and Drug Administration (US FDA) testing. EPI Suite (BIOWIN) model estimates the fates of compounds based on the biodegradability under aerobic conditions. While BIOWIN considered the biodegradability of a compound only, the half life equation used in this study was modified by biodegradability, sorption and cometabolic oxidation. It was possible that the potential future pharmaceutical compounds were more accurately estimated using the modified half life equation. The modified half life equation considered sorption and cometabolic oxidation of halogenated aromatic/aliphatics and nitrogen(N)-heterocyclic aromatics in the sub-surface, while EPI Suite (BIOWIN) did not. Halogenated aliphatics in chemicals were more persistent than halogenated aromatics in the sub-surface. In addition, in the sub-surface environment, the fates of organic chemicals were much more affected by halogenation in chemicals than by nitrogen(N)-heterocyclic aromatics. © 2013.

  15. 7 CFR 247.11 - Applicants exceed caseload levels.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 4 2010-01-01 2010-01-01 false Applicants exceed caseload levels. 247.11 Section 247... exceed caseload levels. (a) What must the local agency do if the number of applicants exceeds the local agency's caseload level? If all caseload has been filled, the local agency must maintain a waiting list...

  16. A prognostic model for survival after salvage treatment with FLAG-Ida +/- gemtuzumab-ozogamicine in adult patients with refractory/relapsed acute myeloid leukaemia.

    PubMed

    Bergua, Juan M; Montesinos, Pau; Martinez-Cuadrón, David; Fernández-Abellán, Pascual; Serrano, Josefina; Sayas, María J; Prieto-Fernandez, Julio; García, Raimundo; García-Huerta, Ana J; Barrios, Manuel; Benavente, Celina; Pérez-Encinas, Manuel; Simiele, Adriana; Rodríguez-Macias, Gabriela; Herrera-Puente, Pilar; Rodríguez-Veiga, Rebeca; Martínez-Sánchez, María P; Amador-Barciela, María L; Riaza-Grau, Rosalía; Sanz, Miguel A

    2016-09-01

    The combination of fludarabine, cytarabine, idarubicin, and granulocyte colony-stimulating factor (FLAG-Ida) is widely used in relapsed/refractory acute myeloid leukaemia (AML). We retrospectively analysed the results of 259 adult AML patients treated as first salvage with FLAG-Ida or FLAG-Ida plus Gentuzumab-Ozogamicin (FLAGO-Ida) of the Programa Español de Tratamientos en Hematología (PETHEMA) database, developing a prognostic score system of survival in this setting (SALFLAGE score). Overall, 221 patients received FLAG-Ida and 38 FLAGO-Ida; 92 were older than 60 years. The complete remission (CR)/CR with incomplete blood count recovery (CRi) rate was 51%, with 9% of induction deaths. Three covariates were associated with lower CR/CRi: high-risk cytogenetics and t(8;21) at diagnosis, no previous allogeneic stem cell transplantation (allo-SCT) and relapse-free interval <1 year. Allo-SCT was performed in second CR in 60 patients (23%). The median overall survival (OS) of the entire cohort was 0·7 years, with 22% OS at 5-years. Four independent variables were used to construct the score: cytogenetics, FLT3-internal tandem duplication, length of relapse-free interval and previous allo-SCT. Using this stratification system, three groups were defined: favourable (26% of patients), intermediate (29%) and poor-risk (45%), with an expected 5-year OS of 52%, 26% and 7%, respectively. The SALFLAGE score discriminated a subset of patients with an acceptable long-term outcome using FLAG-Ida/FLAGO-Ida regimen. The results of this retrospective analysis should be validated in independent external cohorts. © 2016 John Wiley & Sons Ltd.

  17. An unusual case of seed dispersal in an invasive aquatic; yellow flag iris (Iris pseudacorus)

    USDA-ARS?s Scientific Manuscript database

    Understanding reproductive mode of invasive plants can help managers plan more efficacious control. Invasive aquatics typically reproduce primarily through vegetative means. Yellow flag iris is an invasive plant species often growing as an emergent aquatic. There have been contradictory reports of i...

  18. Monomer Release from Resin Based Dental Materials Cured With LED and Halogen Lights

    PubMed Central

    Ak, Asli Topaloglu; Alpoz, A. Riza; Bayraktar, Oguz; Ertugrul, Fahinur

    2010-01-01

    Objectives: To measure the release of TEGDMA and BisGMA from two commercially available composite resins; Filtek Z 250 (3M ESPE, Germany), Leaddent (Leaddent, Germany) and two fissure sealants; Helioseal F (3M ESPE, Germany) Enamel Loc (Premiere Rev, USA) over 1, 3 and 7 days after polymerization with standard quartz-tungsten halogen Coltolux II (QHL) (Coltene Switzerland) and a standard blue light emitting diode Elipar Freelight 2 (3M ESPE, Germany). Methods: 9 samples of each material were placed in disc shaped specimens in 1 mm of thickness and 10 mm in diameter (n=36). Each material was polymerized using LED for 20 s (n=12), 40 s (n=12) and halogen for 40 s (n=12), respectively. High Performance Liquid Chromatography (HPLC) was used to measure the amount of monomers released over 1, 3 and 7 days. Data was analyzed using one way ANOVA and Bonferroni test for multiple comparisons with a significance level of .05. Results: LED 20 sec group showed the highest release of monomers at 1, 3 and 7 days in sealant groups. Halogen 40 sec group resulted highest release of monomers for Leaddent at all time intervals (P<.05) Conclusions: Efficiency of the curing unit and applying the recommended curing time of the light activated resin based dental materials is very important to protect the patient from potential hazards of residual monomers. PMID:20046478

  19. Noble gas isotopes and halogens in volatile-rich inclusions in diamonds

    NASA Technical Reports Server (NTRS)

    Burgess, Raymond; Turner, Grenville

    1994-01-01

    Application of the (40)Ar-(39)Ar method and noble gas studies to diamonds has increased our understanding of their age relationships to the host kimberlite or lamproite, and of the source and composition of volatile-rich fluids in the upper mantle. The properties of diamond (inert, high mechanical strength and low gas diffusivities) means they are especially useful samples for studying gases trapped deep within the earth (less than 150 km) as they are unlikely to have undergone loss or exchange of entrapped material since formation. Volatile-rich fluids (H2O-CO2) are important agents for metasomatic processes in the upper mantle, and the noble gases and halogens preferentially partition into this phase leading to a strong geochemical coherence between these groups of elements. The abundances of the halogens in the major reservoirs of the Earth shows a marked progression from chlorine, concentrated in the oceans, through to iodine which, through its affinity to organic material, is concentrated mainly in sediments. Abundances in the upper mantle are low. This is particularly true for iodine which is of special interest in view of its potential significance as an indicator of sediment recycling and by way of its link to (129)Xe amomalies in the mantle through the low extinct isotope (129)I. Extensions of the (40)Ar-(39)Ar technique enable measurements of halogens and other elements (K, Ca, Ba, U) by production of noble gas isotopes from these species during neutron irradiation. Samples analyzed in this way include 15 coated stones from an unknown source in Zaire, 3 boarts from the Jwaneng and 1 boart from the Orapa kimberlites, both in Botswana.

  20. Environmental Assessment for the Joint Red Flag 󈧉 ADA Activities Nellis Air Force Base

    DTIC Science & Technology

    2005-03-01

    range ratany (Krameria erecta), cheesebush (Hymenoclea salsola), Mormon tea ( Ephedra spp.), and spiny menodora (Menodora spinescens). Four- wing...rattlesnake (Crotalus viridis lutosus), gopher snake (Pituophis melanoleucus), side-blotched lizards (Uta stansburiana) and western whiptails...viscidiflorus Sticky rabbitbrush Chrysothamnus nauseosus Rubber rabbitbrush Coleogyne ramosissima Blackbrush Ephedra sp. Mormon tea JOINT RED FLAG