WorldWideScience

Sample records for subminiature quartz halogen

  1. [Dermatologic risks of quartz-halogen lamps].

    Science.gov (United States)

    Cesarini, J P; Muel, B

    1992-01-01

    Halogene sources are used increasingly in general illumination. Their quartz envelop is technically necessary, but presents the disadvantage of to letting the emitted UVA, UVB and UVC go through. Originally used as in indirect lighting, they have been introduced as desk-top lamps, without filter. We have proceeded to the verification of their output with a spectrophotometer calibrated by actinometry and we have calculated their relative erythemal efficacy according to the Parrish's action spectrum for human erythema. We found that, at 10 cm from the human skin, the irradiance was able to induce a minimal erythema in about 10 minutes on clear back skin. At working distance (50 cm), a barely perceptible erythema could be observed on the back of the hands after 8 consecutive hours working. We also found that sunburn cells were present in the skin sensitized with a potent phototoxic agent (8-methoxypsoralen) applied 15 minutes before a 4-6 minutes irradiation with the halogen source (at 20 cm), thus, indicating a potential risk for local phototoxicity and photoallergy. The cumulative doses per year, for 4 hours exposure per day, five days a week, reaches 125 minimal erythemal doses, equivalent to the average yearly exposure of individuals for work and leisure. If one assumes that this regimen is maintained for 30 years, the risk for induction of skin cancers on the dorsal aspect of the hands and the forearms, may be increased by a 3.4 factor, according to the widely accepted previsional models.(ABSTRACT TRUNCATED AT 250 WORDS)

  2. Neoplastic transformation of neonatal human fibroblasts exposed in vitro to radiation from a quartz-halogen lamp.

    Science.gov (United States)

    West, R W; Rowland, K L; Miller, S A; Beer, J Z

    1995-06-01

    The use of unfiltered quartz-halogen lamps exposes human skin to radiation that spans much of the ultraviolet (UV) spectrum. Reports indicate that exposure to quartz-halogen lamps is erythemogenic, mutagenic, and carcinogenic. To compare the carcinogenic potential of quartz-halogen lamps with that of other UV sources, we determined the dose dependence for cytotoxicity and neoplastic transformation in neonatal human fibroblasts exposed in vitro to: a 15 W germicidal lamp (primarily 254 nm radiation), a 15 W Cool White fluorescent lamp, and an unfiltered 20 W quartz-halogen lamp. Fluence-survival relationships were multiphasic with linear dose response below about 40% survival, and all three sources produced fluence-dependent transformation as indicated by induction of anchorage-independent growth. Maximum transformation frequencies were observed at fluences of 5-8 J/m2 for the germicidal lamp, 6.3 kJ/m2 for the fluorescent lamp, and 300 J/m2 for the quartz-halogen lamp. These data confirm the carcinogenic potential of the quartz-halogen lamp.

  3. An in vivo study to compare a plasma arc light and a conventional quartz halogen curing light in orthodontic bonding.

    Science.gov (United States)

    Pettemerides, A P; Sherriff, M; Ireland, A J

    2004-12-01

    The purpose of this study was to compare the effectiveness of a plasma arc lamp with a conventional tungsten quartz halogen lamp in orthodontic bonding. Twenty consecutive patients had their brackets bonded either with Transbond XT (n = 10) or Fuji Ortho LC (n = 10). In total, 352 teeth were bonded, 176 in each group. Using a randomized cross-mouth control study design, where diagonally opposite quadrants were assigned a particular treatment, the bonds were then either cured with the control light, namely a halogen lamp, or a plasma arc lamp. The halogen light was used for 20 seconds per tooth and the plasma arc lamp for 3 seconds per tooth. The measurement parameter used was bond failure and the patients were monitored for a period of 6 months following initial bond placement. In the Transbond XT group, the proportion of bond failures was 3.41 per cent for both the halogen and the plasma arc lamp. For the Fuji Ortho LC group, the proportions were 11.4 and 10.2 per cent, respectively. No difference was observed with respect to in-service bond failure proportions between bonds cured with the plasma arc or the conventional halogen lamp, irrespective of the bonding agent. Use of the plasma arc lamp could therefore lead to considerable savings in clinical time. However, this must be weighed against the increased purchase price of the plasma arc lamp.

  4. Induction of micronuclei in cultured human lymphocytes exposed to quartz halogen lamps and its prevention by glass covers.

    Science.gov (United States)

    D'Agostini, F; Izzotti, A; De Flora, S

    1993-01-01

    The light emitted by an uncovered tungsten halogen lamp (12 V, 50 W), equipped with a dichroic mirror, induced time-related and distance-related increases in the frequency of micronucleated lymphocytes following in vitro exposure. Peripheral blood lymphocytes from three healthy donors showed the same degree of sensitivity. This clastogenic effect could be ascribed to the emission of far-UV wavelengths (UVB and UVC) and was prevented by interposing a common glass cover. These results support the findings of our genotoxicity studies in repair-deficient bacteria and carcinogenicity studies in hairless mice, thereby suggesting possible health hazards associated with illumination with halogen quartz bulbs, to which an enormous number of individuals are nowadays exposed. These hazards can be simply avoided by using glass covers.

  5. Micro-leakage of a Fissure Sealant Cured Using Quartz-tungsten-halogen and Plasma Arc Light Curing Units.

    Science.gov (United States)

    Bahrololoomi, Zahra; Soleimani, Ali Asghar; Jafari, Najmeh; Varkesh, Bentolhoda

    2014-01-01

    Background and aims. Newer curing units such as plasma arc can polymerize the sealants in much shorter curing times. The aim of this study was to compare the effect of two different curing units on the micro-leakage of a fissure sealant material. Materials and methods. Sixty two extracted premolars without caries were randomly divided into two groups of 31 samples. Occlusal surfaces of all teeth were cleansed. Then, teeth surfaces were etched by 37% phosphoric acid. After rinsing and drying, occlusal surfaces of teeth were sealed by a fissure sealant. The sealant was then cured using either a halogen light curing unit or a plasma arc curing light. After sealing, the teeth were thermocycled for 500 cycles. The teeth were then sectioned and examined for micro-leakage. Statistical analyses were performed with Mann-Whitney test. Results. There was no significant difference between two groups regarding micro-leakage (P = 0.42). Conclusion. Results showed that there was no significant difference between two different curing units. Therefore, plasma arc unit might be a useful alternative for sealant polymerization.

  6. Mechanical properties and degree of conversion of etch-and-rinse and self-etch adhesive systems cured by a quartz tungsten halogen lamp and a light-emitting diode.

    Science.gov (United States)

    Gaglianone, Lívia Aguilera; Lima, Adriano Fonseca; Gonçalves, Luciano Souza; Cavalcanti, Andrea Nóbrega; Aguiar, Flávio Henrique Baggio; Marchi, Giselle Maria

    2012-08-01

    The aim of the present study was to evaluate the degree of conversion (DC), elastic modulus (E), and flexural strength (FS) of five adhesive systems (only the bonding component of both Scotchbond MP-SBMP and Clearfil Protect Bond-CP; Single Bond 2-SB2; One-up Bond F Plus-OUP; and P90 System Adhesive: primer-P90P and bond-P90B) cured with a quartz tungsten halogen (QTH) lamp and a light-emitting diode (LED). Two groups per adhesive were formed (n=5), according to the light source (quartz tungsten halogen-QTH: Demetron LC; and light-emitting diode-LED: UltraLume 5). Bar-shaped specimens were evaluated using three-point bending. The DC was obtained by Fourier transform infrared spectroscopy (FTIR). SB2 and P90P exhibited better DC values for QTH curing. However, SB2 and P90P presented the worst results overall. The light source was statistically significant for all adhesives, except for P90B and OUP. Non-solvated adhesives presented the best E and FS values. It could be concluded that the DC and E values can be influenced by the light source; however, this interference is material dependent. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. Fabrication of a subminiature silicon condenser microphone using the sacrificial layer technique

    NARCIS (Netherlands)

    Scheeper, P.R.; Scheeper, P.R.; Olthuis, Wouter; Bergveld, Piet

    1991-01-01

    The application of the sacrificial layer technique for the fabrication of a subminiature silicon condenser microphone with a plasma-enhanced chemical vapor deposited silicon nitride diaphragm has been investigated. Square diaphragms with dimensions from 0.6 to 2.6 mm and a thickness of 1 ¿m have

  8. Examination of the junctures of aluminium and dielectric structures using subminiature eddy-current transducers

    Science.gov (United States)

    Dmitriev, S. F.; Malikov, V. N.; Sagalakov, A. M.; Ishkov, A. V.; Katasonov, A. O.

    2017-12-01

    The article presents the structure of a subminiature eddy-current transducer of a transformer type, which is based on the pyramid-shaped core providing the localization of the magnetic field on the area of 2500 μm2. It also describes the major transducer parameters, which provide such localization of the magnetic field. The article describes the structure of the measuring system and the measurement procedure, which allows determining the thickness of different objects depending on the signal. The measuring system includes two subminiaturized eddy-current transducers controlled by software. The output signal of the transducers is processed in the hardware filtration systems. The article contains data demonstrating dependency of the amplitude part of the signal on the different thickness of objects, and states the objects experimentally determined size limits that precondition the practicability of these measurements. Such objects as conductive coatings, laminated structures (metal-polyethylene), solid conductive objects (aluminium) and non-conductive dielectric coatings were examined. The article demonstrates the change of the signal amplitude of the eddy-current transducer depending on the type of the monitored material. The pattern of this change allows determining a type of the studying object and its thickness on a small area of the monitored item.

  9. A novel design of subminiature star sensor's imaging system based on TMS320DM3730

    Science.gov (United States)

    Liu, Meiying; Wang, Hu; Wen, Desheng; Yang, Shaodong

    2017-02-01

    Development of the next generation star sensor is tending to miniaturization, low cost and low power consumption, so the imaging system based on FPGA in the past could not meet its developing requirements. A novel design of digital imaging system is discussed in this paper. Combined with the MT9P031 CMOS image sensor's timing sequence and working mode, the sensor driving circuit and image data memory circuit were implemented with the main control unit TMS320DM3730. In order to make the hardware system has the advantage of small size and light weight, the hardware adopted miniaturization design. The software simulation and experimental results demonstrated that the designed imaging system was reasonable, the function of tunable integration time and selectable window readout modes were realized. The communication with computer was exact. The system has the advantage of the powerful image processing, small-size, compact, stable, reliable and low power consumption. The whole system volume is 40 mm *40 mm *40mm,the system weight is 105g, the system power consumption is lower than 1w. This design provided a feasible solution for the realization of the subminiature star sensor's imaging system.

  10. Modelling and operation of sub-miniature constant temperature hot-wire anemometry

    Science.gov (United States)

    Samie, M.; Watmuff, J. H.; Van Buren, T.; Hutchins, N.; Marusic, I.; Hultmark, M.; Smits, A. J.

    2016-12-01

    High-Reynolds number flows are very common in technological applications and in nature, and hot-wire anemometry is the preferred method for measuring the time-series of fluctuating velocity in such flows. However, measurement of very high-Reynolds number flows requires hot-wires with higher temporal and spatial resolution than is available with conventional probes. Much effort has therefore been devoted to decreasing the size of the hot-wire probes and this has led to associated challenges with operation. It is this latter operation problem which is the focus of this paper. To this end, an existing theoretical model of constant-temperature hot-wire anemometers (Perry 1982 Hot-Wire Anemometry (New York: Oxford University Press), Watmuff 1995 Exp. Therm. Fluid Sci. 11 117-34) is applied, and its accuracy is tested for the first time by comparison to measurements using an in-house constant temperature anemometer (CTA) for both conventional 5~μ m-diameter wires and sub-miniature hot-wires. With the aid of this model, we propose modifications to the CTA design and demonstrate successful operation of the CTA with the Princeton nano-scale thermal anemometry probe (NSTAP) (Bailey et al 2010 J. Fluid Mech. 663 160-79). It is also shown that the transfer function obtained from the model can be utilized to estimate the true frequency response and cut-off frequency of a hot-wire-CTA system to the velocity fluctuations, which is essential in accurate measurements of energy spectrum and higher order statistics of turbulent flows.

  11. A comparison between the effect of fluorescent lamps and quartz halogen incandescent filament lamps on the treatment of hyperbilirobinemia in newborns with the gestational age of 35 weeks or more.

    Science.gov (United States)

    Sadeghnia, Alireza; Ganji, Masoud; Armanian, Amir Mohammad

    2014-09-01

    Icter is the most prevalent disease in newborns. Although most of the newborns affiliated with this seem healthy in other aspects, there is always a fear for toxic complication of indirect hyperbilirobinemia in the central nervous system. Nowadays phototherapy is the method of decreasing (or avoidance of increase) of total serum bilirobin (TSB) and it is also used widely in neonatal health care centers according to the availably of equipment, but without any defined standard. In this study, two light sources, quarts halogen incandescent filament lamp (QHIFL) and fluorescent lamp (FL) are compared with each other to find out which method is more useful and efficient. This study is a randomized controlled trial done on 25 newborns with gestational age of 35 weeks or more, with newborn's icter in the 1(st) week after birth, at Isfahan Behesti Hospital, February 2012 to March 2013. A group of these newborns was treated with FL and the other with QHIFL and they all were controlled and tested according to their level of TSB at the beginning of phototherapy, at 8(th), 12(th), and 24(th) h of treatment and at discharge. The data from the study was analyzed by IBM SPSS Statistics Version 21. According to the findings, the level of TSB before and 8 h after the intervention had no significant difference among the groups. However, at 16(th) and 24(th) h of treatment, the TSB level was lower in the FL group and this difference was meaningful (P = 0.002 and P = 0.013 respectively). Furthermore the duration of the treatment was significantly shorter in FL group meaningfully (P = 0.047). According to the findings of this study, the technology used in QHIFL cannot show the capabilities of the FLs. However, more studies are needed to confirm the findings of this study are universal.

  12. A Comparison Between the Effect of Fluorescent Lamps and Quartz Halogen Incandescent Filament Lamps on the Treatment of Hyperbilirobinemia in Newborns with the Gestational Age of 35 Weeks or More

    Science.gov (United States)

    Sadeghnia, Alireza; Ganji, Masoud; Armanian, Amir Mohammad

    2014-01-01

    Background: Icter is the most prevalent disease in newborns. Although most of the newborns affiliated with this seem healthy in other aspects, there is always a fear for toxic complication of indirect hyperbilirobinemia in the central nervous system. Nowadays phototherapy is the method of decreasing (or avoidance of increase) of total serum bilirobin (TSB) and it is also used widely in neonatal health care centers according to the availably of equipment, but without any defined standard. In this study, two light sources, quarts halogen incandescent filament lamp (QHIFL) and fluorescent lamp (FL) are compared with each other to find out which method is more useful and efficient. Methods: This study is a randomized controlled trial done on 25 newborns with gestational age of 35 weeks or more, with newborn's icter in the 1st week after birth, at Isfahan Behesti Hospital, February 2012 to March 2013. A group of these newborns was treated with FL and the other with QHIFL and they all were controlled and tested according to their level of TSB at the beginning of phototherapy, at 8th, 12th, and 24th h of treatment and at discharge. The data from the study was analyzed by IBM SPSS Statistics Version 21. Results: According to the findings, the level of TSB before and 8 h after the intervention had no significant difference among the groups. However, at 16th and 24th h of treatment, the TSB level was lower in the FL group and this difference was meaningful (P = 0.002 and P = 0.013 respectively). Furthermore the duration of the treatment was significantly shorter in FL group meaningfully (P = 0.047). Conclusions: According to the findings of this study, the technology used in QHIFL cannot show the capabilities of the FLs. However, more studies are needed to confirm the findings of this study are universal. PMID:25317303

  13. Vibration and thermal vacuum qualification test results for a low-voltage tungsten-halogen light

    Science.gov (United States)

    Sexton, J. Andrew

    1991-01-01

    The results of a space flight qualification test program for a low-voltage, quartz tungsten-halogen light are presented. The test program was designed to qualify a halogen light for use in the Pool Boiling Experiment, a Get Away Special (GAS) payload that will be flown in the space shuttle payload bay. Vibration and thermal vacuum tests were performed. The test results indicated that the halogen light will survive the launch and ascent loads, and that the convection-free environment associated with the GAS payload system will not detrimentally affect the operation of the halogen light.

  14. Recent developments of OSL techniques for dating quartz and feldspars

    DEFF Research Database (Denmark)

    Bøtter-Jensen, L.; Jungner, H.; Mejdahl, V.

    1993-01-01

    The construction of a unit for measuring optically stimulated luminescence from quartz and feldspar is described. The light sources used for stimulation are infrared diodes for feldspar and green light from a halogen lamp (obtained with a system of filters) for both quartz and feldspar. The unit...... can be mounted on the Riso TL reader thus allowing combined TL and OSL measurements. The apparatus was used for studies of (1) the relation between TL and OSL signals, (2) the luminescence of quartz samples annealed at different temperatures and (3) anomalous fading of the latent luminescence signal...

  15. Halogenated fatty acids

    DEFF Research Database (Denmark)

    Mu, Huiling; Sundin, Peter; Wesén, Clas

    1997-01-01

    and separation method. This review covers separation by solid phase chromatography, gel permeation chromatography, and liquid-liquid extraction, followed by halogen determination. All studies performed according to this outline have indicated that the major organohalogen compounds are chlorinated fatty acids...... bound in different lipids. For the detection and identification of individual, halogenated fatty acid methyl esters (FAMEs) liberated from the lipids, gas chromatography (GC) has been employed together with detection methods such as electron capture detection, electrolytic conductivity detection (ELCD......), atomic emission spectrometry, and mass spectrometry. For most environmental samples, chlorinated FAMEs must be enriched prior to GC. ELCD is a useful detection method for indicating halogenated FAMEs in the chromatograms, and tentative identification of the halogenated species can be obtained...

  16. Ultraviolet radiation and blue-light emissions from spotlights incorporating tungsten halogen lamps

    CERN Document Server

    MacKinlay, Alistair F; Whillock, M J

    1989-01-01

    This report summarises measurements of the ultraviolet radiation and blue-light emissions from eleven 'desk-top' tungsten halogen (quartz) lamps and one 'floor-standing' tungsten halogen (quartz) lamp available in the UK. Values of occupational hazard weighted and erythemally weighted ultraviolet radiation irradiance and measurements and relevant calculations of blue-light hazards are presented. It is concluded that the safety design of some desk-top tungsten halogen lamps is inadequate to prevent unnecessary exposure of the skin to potentially harmful ultraviolet radiation. It is recommended that all tungsten halogen lamps should have sufficient filtration to reduce their ultraviolet emissions to an acceptably low level. As long as the comfort aversion responses of the eye are respected, direct viewing of the lamps examined should not constitute a retinal hazard.

  17. Halogenated solvent remediation

    Science.gov (United States)

    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.

  18. Halogenated fatty acids

    DEFF Research Database (Denmark)

    Mu, Huiling; Wesén, Clas; Sundin, Peter

    1997-01-01

    , chlorinated lipids have been found in meat exposed to hypochlorite disinfected water, and in chlorine-treated flour and in products made from such flour. Following exposure to chlorine bleached pulp mill effluents, aquatic organisms may have elevated concentrations of chlorinated fatty acids in their lipids....... However, a natural production of halogenated fatty acids is also possible. In this paper we summarize the present knowledge of the occurrence of halogenated fatty acids in lipids and suggested ways of their formation. In Part II (Trends Anal. Chem. 16 (1997) 274) we deal with methods...

  19. Asymmetric bifurcated halogen bonds.

    Science.gov (United States)

    Novák, Martin; Foroutan-Nejad, Cina; Marek, Radek

    2015-03-07

    Halogen bonding (XB) is being extensively explored for its potential use in advanced materials and drug design. Despite significant progress in describing this interaction by theoretical and experimental methods, the chemical nature remains somewhat elusive, and it seems to vary with the selected system. In this work we present a detailed DFT analysis of three-center asymmetric halogen bond (XB) formed between dihalogen molecules and variously 4-substituted 1,2-dimethoxybenzene. The energy decomposition, orbital, and electron density analyses suggest that the contribution of electrostatic stabilization is comparable with that of non-electrostatic factors. Both terms increase parallel with increasing negative charge of the electron donor molecule in our model systems. Depending on the orientation of the dihalogen molecules, this bifurcated interaction may be classified as 'σ-hole - lone pair' or 'σ-hole - π' halogen bonds. Arrangement of the XB investigated here deviates significantly from a recent IUPAC definition of XB and, in analogy to the hydrogen bonding, the term bifurcated halogen bond (BXB) seems to be appropriate for this type of interaction.

  20. Halogen Chemistry in the CMAQ Model

    Science.gov (United States)

    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...

  1. QUARTZ FIBER ELECTROSCOPES

    Science.gov (United States)

    Henderson, R.P.

    1957-09-17

    An instrument carried unobtrusively about the person such as in a finger ring to indicate when that person has been exposed to an unusual radiation hazard is described. A metallized quartz fiber is electrically charged to indicate a full scale reading on an etched glass background. The quartz fiber and the scale may be viewed through a magnifying lens for ease of reading. Incident radiation will ionize gaseous particles in the sealed structure thereby allowing the charge to leak off the quartz fiber with its resulting movement across the scale proportionally indicating the radiation exposure.

  2. Vacuum electrolysis of quartz

    Science.gov (United States)

    King, James Claude

    1976-01-13

    The disclosure is directed to a method for processing quartz used in fabricating crystal resonators such that transient frequency change of resonators exposed to pulse irradiation is virtually eliminated. The method involves heating the crystal quartz in a hydrogen-free atmosphere while simultaneously applying an electric field in the Z-axis direction of the crystal. The electric field is maintained during the cool-down phase of the process.

  3. Radiation Damage of Quartz Fibers

    OpenAIRE

    Hagopian, V

    1999-01-01

    Quartz fibers are used in high energy physics experiments as the active medium in high radiation area calorimetry. Quartz fibers are also used in the transmission of optical signals. Even though quartz does not damage by moderate amounts of irradiation, the clad of the fibers and the protective coating ( buffer) do damage reducing light transmission. Various types of quartz fibers have been irradiated and measured for light transmission. The most radiation hard quartz fibers are those with qu...

  4. Accuracy of LED and halogen radiometers using different light sources.

    Science.gov (United States)

    Roberts, Howard W; Vandewalle, Kraig S; Berzins, David W; Charlton, David G

    2006-01-01

    To determine the accuracy of commercially available, handheld light-emitting diode (LED) and halogen-based radiometers using LED and quartz-tungsten-halogen (QTH) curing lights with light guides of various diameters. The irradiance of an LED curing light (L.E. Demetron 1, SDS/Kerr, Orange, CA, USA) and a QTH curing light (Optilux 501, SDS/Kerr) were measured using multiple units of an LED (Demetron L.E.D. Radiometer, SDS/Kerr) and a halogen radiometer (Demetron 100, SDS/Kerr) and compared with each other and to a laboratory-grade power meter (control). Measurements were made using five light guides with distal light guide diameters of 4, 7, 8, 10, and 12.5 mm. For each light guide, five readings were made with each of three radiometers of each radiometer type. Data were analyzed with two-way analysis of variance/Tukey; alpha = 0.05. In general, both handheld radiometer types exhibited significantly different irradiance readings compared with the control meter. Additionally, readings between radiometer types were found to differ slightly, but were correlated. In general, the LED radiometer provided slightly lower irradiance readings than the halogen radiometer, irrespective of light source. With both types of handheld radiometers, the use of the larger-diameter light guides tended to overestimate the irradiance values as seen in the control, while smaller-diameter light guides tended to underestimate. The evaluated LED or halogen handheld radiometers may be used interchangeably to determine the irradiance of both LED and QTH visible-light-curing units. Measured differences between the two radiometer types were small and probably not clinically significant. However, the diameter of light guides may affect the accuracy of the radiometers, with larger-diameter light guides overestimating and smaller-diameter guides underestimating the irradiance value measured by the control instrument.

  5. Tropospheric Halogen Chemistry

    Science.gov (United States)

    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

  6. The Halogen Occultation Experiment

    Science.gov (United States)

    Russell, James M., III; Gordley, Larry L.; Park, Jae H.; Drayson, S. R.; Hesketh, W. D.; Cicerone, Ralph J.; Tuck, Adrian F.; Frederick, John E.; Harries, John E.; Crutzen, Paul J.

    1993-01-01

    The Halogen Occultation Experiment (HALOE) uses solar occultation to measure vertical profiles of O3, HCl, HF, CH4, H2O, NO, NO2, aerosol extinction, and temperature versus pressure with an instantaneous vertical field of view of 1.6 km at the earth limb. Latitudinal coverage is from 80 deg S to 80 deg N over the course of 1 year and includes extensive observations of the Antarctic region during spring. The altitude range of the measurements extends from about 15 km to about 60-130 km, depending on channel. Experiment operations have been essentially flawless, and all performance criteria either meet or exceed specifications. Internal data consistency checks, comparisons with correlative measurements, and qualitative comparisons with 1985 atmospheric trace molecule spectroscopy (ATMOS) results are in good agreement. Examples of pressure versus latitude cross sections and a global orthographic projection for the September 21 to October 15, 1992, period show the utility of CH4, HF, and H2O as tracers, the occurrence of dehydration in the Antarctic lower stratosphere, the presence of the water vapor hygropause in the tropics, evidence of Antarctic air in the tropics, the influence of Hadley tropical upwelling, and the first global distribution of HCl, HF, and NO throughout the stratosphere. Nitric oxide measurements extend through the lower thermosphere.

  7. Synthesis of pyrrolnitrin and related halogenated phenylpyrroles.

    Science.gov (United States)

    Morrison, Matthew D; Hanthorn, Jason J; Pratt, Derek A

    2009-03-05

    A general approach to halogenated arylpyrroles, including the antifungal natural product pyrrolnitrin, is described using newly synthesized halogenated pyrroles and 2,6-disubstituted nitrobenzenes or 2,6-disubstituted anilines.

  8. Quartz crystal growth

    Science.gov (United States)

    Baughman, Richard J.

    1992-01-01

    A process for growing single crystals from an amorphous substance that can undergo phase transformation to the crystalline state in an appropriate solvent. The process is carried out in an autoclave having a lower dissolution zone and an upper crystallization zone between which a temperature differential (.DELTA.T) is maintained at all times. The apparatus loaded with the substance, solvent, and seed crystals is heated slowly maintaining a very low .DELTA.T between the warmer lower zone and cooler upper zone until the amorphous substance is transformed to the crystalline state in the lower zone. The heating rate is then increased to maintain a large .DELTA.T sufficient to increase material transport between the zones and rapid crystallization. .alpha.-Quartz single crystal can thus be made from fused quartz in caustic solvent by heating to 350.degree. C. stepwise with a .DELTA.T of 0.25.degree.-3.degree. C., increasing the .DELTA.T to about 50.degree. C. after the fused quartz has crystallized, and maintaining these conditions until crystal growth in the upper zone is completed.

  9. 40 CFR 721.505 - Halogenated acrylonitrile.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Halogenated acrylonitrile. 721.505... Substances § 721.505 Halogenated acrylonitrile. (a) Chemical substance and significant new uses subject to reporting. (1) The chemical substance identified generically as halogenated acrylonitrile, (PMN P-90-299) is...

  10. Organic halogens in landfill leachates

    DEFF Research Database (Denmark)

    Grøn, C.; Christensen, J. B.; Jensen, Dorthe Lærke

    2000-01-01

    compounds behind the high TOX could not be found. Conversely, part of the TOX could be attributed to halogenated humic substances that can not be analysed with conventional organic contaminant analyses. Even though TOX can still be considered an indicator of leachate contamination in the aquifers, attempts...

  11. Halogen Bonding in Nucleic Acid Complexes.

    Science.gov (United States)

    Kolář, Michal H; Tabarrini, Oriana

    2017-11-09

    Halogen bonding (X-bonding) has attracted notable attention among noncovalent interactions. This highly directional attraction between a halogen atom and an electron donor has been exploited in knowledge-based drug design. A great deal of information has been gathered about X-bonds in protein-ligand complexes, as opposed to nucleic acid complexes. Here we provide a thorough analysis of nucleic acid complexes containing either halogenated building blocks or halogenated ligands. We analyzed close contacts between halogens and electron-rich moieties. The phosphate backbone oxygen is clearly the most common halogen acceptor. We identified 21 X-bonds within known structures of nucleic acid complexes. A vast majority of the X-bonds is formed by halogenated nucleobases, such as bromouridine, and feature excellent geometries. Noncovalent ligands have been found to form only interactions with suboptimal interaction geometries. Hence, the first X-bonded nucleic acid binder remains to be discovered.

  12. Quartz resonator processing system

    Science.gov (United States)

    Peters, Roswell D. M.

    1983-01-01

    Disclosed is a single chamber ultra-high vacuum processing system for the oduction of hermetically sealed quartz resonators wherein electrode metallization and sealing are carried out along with cleaning and bake-out without any air exposure between the processing steps. The system includes a common vacuum chamber in which is located a rotatable wheel-like member which is adapted to move a plurality of individual component sets of a flat pack resonator unit past discretely located processing stations in said chamber whereupon electrode deposition takes place followed by the placement of ceramic covers over a frame containing a resonator element and then to a sealing stage where a pair of hydraulic rams including heating elements effect a metallized bonding of the covers to the frame.

  13. Diversified essential properties in halogenated graphenes

    OpenAIRE

    Tran, Ngoc Thanh Thuy; Nguyen, Duy Khanh; E., Glukhova O.; Lin, Ming-Fa

    2017-01-01

    The significant halogenation effects on the essential properties of graphene are investigated by the first-principles method. The geometric structures, electronic properties, and magnetic configurations are greatly diversified under the various halogen adsorptions. Fluorination, with the strong multi-orbital chemical bondings, can create the buckled graphene structure, while the other halogenations do not change the planar {\\sigma} bonding in the presence of single-orbital hybridization. Elec...

  14. Organic halogens in spruce forest throughfall

    DEFF Research Database (Denmark)

    Öberg, G.; Johansen, C.; Grøn, C.

    1998-01-01

    Deposition of dissolved organic halogens by throughfall was determined in a small spruce forest site in Denmark (56 degrees 28'N, 8 degrees 24'E). The mean annual deposition of dissolved organic halogens was 377 g ha(-1)yr(-1), and larger than the general deposition by precipitation....... No relationship between the position of the collectors and the forest edge or dominating wind-direction was found, suggesting that dry deposition was not a major source. The concentration of organic halogens was related to that of organic carbon and decreased from the tree-trunk and outwards. In addition......, the concentrations were higher during the growing season than during the dormant season. This indicates that the major part of the organic carbon and organic halogens in spruce forest throughfall originates from canopy leachates or other internal sources. (C) 1998 Elsevier Science Ltd....

  15. Informative document halogenated hydrocarbon-containing waste

    NARCIS (Netherlands)

    Verhagen H

    1992-01-01

    This "Informative document halogenated hydrocarbon-containing waste" forms part of a series of "Informative documents waste materials". These documents are conducted by RIVM on the instructions of the Directorate General for the Environment, Waste Materials Directorate, in

  16. Laser welding of fused quartz

    Science.gov (United States)

    Piltch, Martin S.; Carpenter, Robert W.; Archer, III, McIlwaine

    2003-06-10

    Refractory materials, such as fused quartz plates and rods are welded using a heat source, such as a high power continuous wave carbon dioxide laser. The radiation is optimized through a process of varying the power, the focus, and the feed rates of the laser such that full penetration welds may be accomplished. The process of optimization varies the characteristic wavelengths of the laser until the radiation is almost completely absorbed by the refractory material, thereby leading to a very rapid heating of the material to the melting point. This optimization naturally occurs when a carbon dioxide laser is used to weld quartz. As such this method of quartz welding creates a minimum sized heat-affected zone. Furthermore, the welding apparatus and process requires a ventilation system to carry away the silicon oxides that are produced during the welding process to avoid the deposition of the silicon oxides on the surface of the quartz plates or the contamination of the welds with the silicon oxides.

  17. Halogen-specific total organic halogen analysis: Assessment by recovery of total bromine.

    Science.gov (United States)

    Langsa, Markus; Allard, Sebastien; Kristiana, Ina; Heitz, Anna; Joll, Cynthia A

    2017-08-01

    Determination of halogen-specific total organic halogen (TOX) is vital for studies of disinfection of waters containing bromide, since total organic bromine (TOBr) is likely to be more problematic than total organic chlorine. Here, we present further halogen-specific TOX method optimisation and validation, focusing on measurement of TOBr. The optimised halogen-specific TOX method was validated based on the recovery of model compounds covering different classes of disinfection by-products (haloacetic acids, haloacetonitriles, halophenols and halogenated benzenes) and the recovery of total bromine (mass balance of TOBr and bromide concentrations) during disinfection of waters containing dissolved organic matter and bromide. The validation of a halogen-specific TOX method based on the mass balance of total bromine has not previously been reported. Very good recoveries of organic halogen from all model compounds were obtained, indicating high or complete conversion of all organic halogen in the model compound solution through to halide in the absorber solution for ion chromatography analysis. The method was also successfully applied to monitor conversion of bromide to TOBr in a groundwater treatment plant. An excellent recovery (101%) of total bromine was observed from the raw water to the post-chlorination stage. Excellent recoveries of total bromine (92%-95%) were also obtained from chlorination of a synthetic water containing dissolved organic matter and bromide, demonstrating the validity of the halogen-specific TOX method for TOBr measurement. The halogen-specific TOX method is an important tool to monitor and better understand the formation of halogenated organic compounds, in particular brominated organic compounds, in drinking water systems. Copyright © 2017. Published by Elsevier B.V.

  18. In vitro lingual bracket evaluation of indirect bonding with plasma arc, LED and halogen light.

    Science.gov (United States)

    Magno, A F F; Martins, R P; Vaz, L G; Martins, L P

    2010-02-01

    Evaluate the shear bond strength (SBS) and the adhesive remnant index (ARI) of indirect bonded lingual brackets using xenon plasma arc light, light-emitting diode (LED) and conventional quartz-tungsten-halogen light. Lingual brackets were bonded indirectly to 60 premolars divided to three groups according to the curing light used: Group 1, plasma arc for 6 s; Group 2, LED for 10 s; and Group 3, halogen light for 40 s. After bonding, the specimens were subjected to a shear force until debonding. The debonding pattern was assessed and classified according to the ARI scores. The mean shear bond strengths were accessed by anova followed by the Student-Newman-Keuls test for multiple comparisons. ARI scores were assessed using the chi-square test. The three groups showed significant differences (p plasma arc, during 60% of the time used for the LED, produced lower SBS than obtained with the latter. Using LED during 25% of the time of the halogen light produced lower SBS than obtained with the latter. These differences did not influence the debonding pattern and are clinically acceptable according to the literature.

  19. Laser direct synthesis of graphene on quartz

    OpenAIRE

    Wei, Dapeng; Mitchell, James I.; Tansarawiput, Chookiat; Nam, Woongsik; Qi, Minghao; Ye, Peide D.; Xu, Xianfan

    2013-01-01

    We demonstrate a laser-based technique to directly synthesize few layer graphene on quartz substrates without using any metal catalyst. In our approach, a photoresist S-1805 (from Shipley Comp.) film coated on quartz wafers was heated, and then decomposed, by irradiation of a continuous-wave laser. The carbon atoms from the photoresist were dissolved in the molten quartz, and then extracted to form graphene when the temperature of the quartz was decreased. Raman spectroscopy shows the as-prod...

  20. Treatment System for Removing Halogenated Compounds from Contaminated Sources

    Science.gov (United States)

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

  1. Blue light emitting diodes for optical stimulation of quartz in retrospective dosimetry and dating

    DEFF Research Database (Denmark)

    Bøtter-Jensen, L.; Duller, G.A.T.; Murray, A.S.

    1999-01-01

    Recently developed blue light emitting diodes (LEDs) for the optical stimulation of quartz for use in routine optically stimulated luminescence (OSL) dating and retrospective dosimetry have been tested. For similar power densities, it was found that the higher energy light provided by the blue LEDs...... (470 nm) gives order of magnitude greater rate of stimulation in quartz than that from conventional blue-green light filtered from a halogen lamp. A practical blue LED OSL configuration is described. From comparisons of OSL decay curves produced by green and blue light sources, and by examination...... of the dependence of the blue LED OSL on preheat temperature, it is deduced that there is no evidence that the blue LEDs stimulate deep traps in a different manner from broadband filtered light. It is concluded that blue LEDs offer a practical alternative to existing stimulation sources. They have the significant...

  2. Halogen-bonding-triggered supramolecular gel formation

    Science.gov (United States)

    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.

  3. Induction and prevention of micronuclei and chromosomal aberrations in cultured human lymphocytes exposed to the light of halogen tungsten lamps.

    Science.gov (United States)

    D'Agostini, F; Caimo, A; De Filippi, S; De Flora, S

    1999-07-01

    Previous studies have shown that the light emitted by halogen tungsten lamps contains UV radiation in the UV-A, UV-B and UV-C regions, induces mutations and irreparable DNA damage in bacteria, enhances the frequency of micronuclei in cultured human lymphocytes and is potently carcinogenic to the skin of hairless mice. The present study showed that the light emitted by an uncovered, traditional halogen lamp induces a significant, dose-related and time-related increase not only in micronuclei but also in chromosome-type aberrations, such as breaks, and even more in chromatid-type aberrations, such as isochromatid breaks, exchanges and isochromatid/chromatid interchanges, all including gaps or not, in cultured human lymphocytes. All these genotoxic effects were completely prevented by shielding the same lamp with a silica glass cover, blocking UV radiation. A new model of halogen lamp, having the quartz bulb treated in order to reduce the output of UV radiation, was considerably less genotoxic than the uncovered halogen lamp, yet induction of chromosomal alterations was observed at high illuminance levels.

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

    Science.gov (United States)

    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

  5. Electroreductive Remediation of Halogenated Environmental Pollutants.

    Science.gov (United States)

    Martin, Erin T; McGuire, Caitlyn M; Mubarak, Mohammad S; Peters, Dennis G

    2016-12-28

    Electrochemical reduction of halogenated organic compounds is gaining increasing attention as a strategy for the remediation of environmental pollutants. We begin this review by discussing key components (cells, electrodes, solvents, and electrolytes) in the design of a procedure for degrading a targeted pollutant, and we describe and contrast some experimental techniques used to explore and characterize the electrochemical behavior of that pollutant. Then, we describe how to probe various mechanistic features of the pertinent electrochemistry (including stepwise versus concerted carbon-halogen bond cleavage, identification of reaction intermediates, and elucidation of mechanisms). Knowing this information is vital to the successful development of a remediation procedure. Next, we outline techniques, instrumentation, and cell designs involved in scaling up a benchtop experiment to an industrial-scale system. Finally, the last and major part of this review is directed toward surveying electrochemical studies of various categories of halogenated pollutants (chlorofluorocarbons; disinfection byproducts; pesticides, fungicides, and bactericides; and flame retardants) and looking forward to future developments.

  6. Evaluation of Halogenated Coumarins for Antimosquito Properties

    Directory of Open Access Journals (Sweden)

    Venugopala K. Narayanaswamy

    2014-01-01

    Full Text Available Mosquitoes are the major vectors of parasites and pathogens affecting humans and domestic animals. The widespread development of insecticide resistance and negative environmental effects of most synthetic compounds support an interest in finding and developing alternative products against mosquitoes. Natural coumarins and synthetic coumarin analogues are known for their several pharmacological properties, including being insecticidal. In the present study halogenated coumarins (3-mono/dibromo acetyl, 6-halogenated coumarin analogues were screened for larvicidal, adulticidal, and repellent properties against Anopheles arabiensis, a zoophilic mosquito that is one of the dominant vectors of malaria in Africa. Five compounds exerted 100% larval mortality within 24 h of exposure. All coumarins and halogenated coumarins reversibly knocked down adult mosquitoes but did not kill them after 24 h of exposure. Repellent properties could not be evidenced. Five compounds were considered potential larvicidal agents for further research and development, while adulticidal activity was considered only mild to moderate.

  7. Strength, character, and directionality of halogen bonds involving cationic halogen bond donors.

    Science.gov (United States)

    Riley, Kevin E; Tran, Khanh-An

    2017-10-13

    Halogen bonds involving cationic halogen bond donors and anionic halogen bond acceptors have recently been recognized as being important in stabilizing the crystal structures of many salts. Theoretical characterization of these types of interactions, most importantly in terms of their directionality, has been limited. Here we generate high-quality symmetry adapted perturbation theory potential energy curves of a H3N-C[triple bond, length as m-dash]C-Br+Cl- model system in order to characterize halogen bonds involving charged species, in terms of contributions from electrostatics, exchange, induction, and dispersion, with special emphasis on analyzing contributions that are most responsible for the directionality of these interactions. It is found that, as in the case of neutral halogen bonds, exchange forces are important contributors to the directionality of charged halogen bonds, however, it is also found that induction effects, which contribute little to the stability and directionality of neutral halogen bonds, play a large role in the directionality of halogen bonds involving charged species. Potential energy curves based on the ωB97X-D/def2-TZVP/C-PCM method, which includes an implicit solvation model in order to mimic the effects of the crystal medium, are produced for both the H3N-C[triple bond, length as m-dash]C-Br+Cl- model system and for the 4-bromoaniliniumCl- dimer, which is based on the real 4-bromoanilinium chloride salt, whose crystal structure has been determined experimentally. It is found that, within a crystal-like medium, charged halogen bond are significantly weaker than in the gas phase, having optimum interaction energies up to approximately -20 kcal mol-1.

  8. Halogen Bonds in Novel Polyhalogen Monoanions.

    Science.gov (United States)

    Wang, Changwei; Danovich, David; Shaik, Sason; Mo, Yirong

    2017-06-27

    Polyhalogen monoanions [X 2n+1 ] - (X=Cl and Br; n=1, 2, 3, 4, and 5) have been systematically studied using the block-localized wave function (BLW) method, which offers a valence bond (VB) analysis. For each species, the most stable isomer can be described as a central halide anion X - non-classically bonded to a number of dihalogen molecules X 2 via "halogen bonds". VB analyses confirm the dominant role of the charge-transfer interaction between the lone pair on X - and the σ-anti-bonding orbital of X 2 molecule (n→σ*) in X 3 - and higher analogues. Thus, our study demonstrates that these halogen bonds are essentially dative covalent interactions. Importantly, the charge-transfer interaction between [X 2n-1 ] - and X 2 decreases with the increasing n, in accord with the weakening of the Lewis basicity as characterized by the corresponding HOMO energy. The reduction of the charge transfer interaction underscores the reduction of covalence in halogen bonds in [X 2n+1 ] - . This tendency highlights the anti-cooperative effect in polyhalogen monoanions. All in all, the halogen bond between X - and nX 2 molecules exhibits the same trends as in X - with a single X 2 molecule. In other words, halogen bonding in the larger clusters derives from the same bonding mechanism as the [X 3 ] - anion. As such, the X - ⋅⋅⋅X 2 halogen bond at different bond lengths forms a gauge of covalence for the entire [X 2n+1 ] - family. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Halogens in chondritic meteorites and terrestrial accretion

    Science.gov (United States)

    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

  10. Halogen Chemistry in Volcanic Plumes (Invited)

    Science.gov (United States)

    Roberts, Tjarda

    2017-04-01

    Volcanoes release vast amounts of gases and particles in the atmosphere. Volcanic halogens (HF, HCl, HBr, HI) are co-emitted alongside SO2, and observations show rapid formation of BrO and OClO in the plume as it disperses into the troposphere. The development of 1D and Box models (e.g. PlumeChem) that simulate volcanic plume halogen chemistry aims to characterise how volcanic reactive halogens form and quantify their atmospheric impacts. Following recent advances, these models can broadly reproduce the observed downwind BrO/SO2 ratios using "bromine-explosion" chemistry schemes, provided they use a "high-temperature initialisation" to inject radicals (OH, Cl, Br and possibly NOx) which "kick-start" the low-temperature chemistry cycles that convert HBr into reactive bromine (initially as Br2). The modelled rise in BrO/SO2 and subsequent plateau/decline as the plume disperses downwind reflects cycling between reactive bromine, particularly Br-BrO, and BrO-HOBr-BrONO2. BrCl is produced when aerosol becomes HBr-depleted. Recent model simulations suggest this mechanism for reactive chlorine formation can broadly account for OClO/SO2 reported at Mt Etna. Predicted impacts of volcanic reactive halogen chemistry include the formation of HNO3 from NOx and depletion of ozone. This concurs with HNO3 widely reported in volcanic plumes (although the source of NOx remains under question), as well as observations of ozone depletion reported in plumes from several volcanoes (Mt Redoubt, Mt Etna, Eyjafjallajokull). The plume chemistry can transform mercury into more easily deposited and potentially toxic forms, for which observations are limited. Recent incorporation of volcanic halogen chemistry in a 3D regional model of degassing from Ambrym (Vanuatu) also predicts how halogen chemistry causes depletion of OH to lengthen the SO2 lifetime, and highlights the potential for halogen transport from the troposphere to the stratosphere. However, the model parameter-space is vast and

  11. 40 CFR 721.329 - Halogenated benzyl ester acrylate (generic).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 30 2010-07-01 2010-07-01 false Halogenated benzyl ester acrylate... Specific Chemical Substances § 721.329 Halogenated benzyl ester acrylate (generic). (a) Chemical substance... halogenated benzyl ester acrylate (PMN P-90-1527) is subject to reporting under this section for the...

  12. Vibration Resistant Quartz Crystal Resonators.

    Science.gov (United States)

    1981-01-01

    occurred and the ribbon eventually pulled edge metallization and quartz from the crystal mounting flat. LI P-I We attempted to anneal the ribbon ourselves...improvement in radiation resistance of the ’SC’ over the ’AT’. ,_/ __ In order to produce a successful SC crystal/ unit, i.e., one that exploits this...7--. .7 -- 1 x~ -7 7: Vida F4Y)A 3 -76 NN - -L3 43-i~ 3 ~ : . -- _____ ____ r ~ - - ____ _ _ _ _ 7-:7 7~ -4~l F-0 d-N I - - . - 7 71 --14A -77- :1

  13. Halogenated indole alkaloids from marine invertebrates.

    Science.gov (United States)

    Pauletti, Patrícia Mendonça; Cintra, Lucas Silva; Braguine, Caio Guedes; da Silva Filho, Ademar Alves; Silva, Márcio Luís Andrade E; Cunha, Wilson Roberto; Januário, Ana Helena

    2010-04-28

    This review discusses the isolation, structural elucidation, and biological activities of halogenated indole alkaloids obtained from marine invertebrates. Meridianins and related compounds (variolins, psammopemmins, and aplicyanins), as well as aplysinopsins and leptoclinidamines, are focused on. A compilation of the (13)C-NMR spectral data of these selected natural indole alkaloids is also provided.

  14. Development of Quartz Fiber Calorimetry

    CERN Multimedia

    2002-01-01

    % RD40 \\\\ \\\\ Very Forward Calorimeters (VFCs) in LHC detectors should cover the pseudorapidity range from $\\eta$~=~2.5 to at least $\\eta$~=~5 in order to compute missing transverse energy and for jet tagging. Operation at such high rapidity requires the use of a calorimetry technique that is very radiation resistant, fast and insensitive to radioactivity (especially to neutrons). This can be accomplished through the Quartz-Calorimeter~(Q-Cal) concept of embedding silica core fibers, that resist to the Gigarad radiation level, into an absorber. In this calorimeter the shower particles produce light through the Cherenkov effect generating a signal less than 10~ns in duration. Unique to this new technology the visible energy of hadronic showers has a transverse dimension nearly an order of magnitude smaller than that in conventional calorimeters, enabling precise spatial resolution, sharper isolation cuts and better jet recognition against the minimum bias events background. Last but not least, most radioactive ...

  15. The Quartz Analog Watch: A Wonder Machine.

    Science.gov (United States)

    Crane, H. Richard, Ed.

    1993-01-01

    Summarizes how a quartz watch works. Discusses the quartz crystal, its form, and how its frequency is set to a standard; the integrated circuit chip that drives the crystal in vibration, scales its frequency down, and forms pulses that turn the motor; and the motor that drives the gear train that turns the hands. (ZWH)

  16. Halogen bonding origin properties and applications

    Science.gov (United States)

    Hobza, Pavel

    2015-12-01

    σ-hole bonding represents an unusual and novel type of noncovalent interactions in which atom with σ- hole interacts with Lewis base such as an electronegative atom (oxygen, nitrogen, …) or aromatic systems. This bonding is of electrostatic nature since the σ-hole bears a positive charge. Dispersion energy forms equally important energy term what is due to the fact that two heavy atoms (e.g. halogen and oxygen) having high polarizability lie close together (the respective distance is typically shorter than the sum of van der Waals radii). Among different types of σ-hole bondings the halogen bonding is by far the most known but chalcogen and pnictogen bondings are important as well.

  17. Halogen bonding origin properties and applications

    Energy Technology Data Exchange (ETDEWEB)

    Hobza, Pavel [Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague (Czech Republic); Regional Center of Advanced Technologies and Materials, Department of Physical Chemistry, Palacky University, 77146 Olomouc (Czech Republic)

    2015-12-31

    σ-hole bonding represents an unusual and novel type of noncovalent interactions in which atom with σ- hole interacts with Lewis base such as an electronegative atom (oxygen, nitrogen, …) or aromatic systems. This bonding is of electrostatic nature since the σ-hole bears a positive charge. Dispersion energy forms equally important energy term what is due to the fact that two heavy atoms (e.g. halogen and oxygen) having high polarizability lie close together (the respective distance is typically shorter than the sum of van der Waals radii). Among different types of σ-hole bondings the halogen bonding is by far the most known but chalcogen and pnictogen bondings are important as well.

  18. Mechanical behavior of quartz fiber reinforced epoxy resins for teeth restoration.

    Science.gov (United States)

    Visco, A M; Calabrese, L; Campo, N; Torrisi, L; Oteri, G; Lo Giudice, G; Cicciù, D

    2006-01-01

    In this work composite materials, based on quartz fibers and epoxy resins, were employed with the aim to restore damaged teeth. The composite materials were chosen because they show biomechanical features very similar to that of the dentine, the main constituent of the tooth. Extracted teeth were rebuilt with two different restorative procedures: in the first, the composite material was pre-formed in a conical trunk shape abutment (PA) and then bonded to a fiber quartz post with a dental bonder. In the second rebuilt system the abutment was prepared by cross linking the resin on the fiber quartz post with a halogen lamp (CRA). The restored teeth were then mechanically tested and observed with a Scanning Electron Microscope (SEM) with the aim to study the interaction between the reconstructive materials. Wetting and roughness measurements were also carried out in order to study the interface adhesion between the post and the abutments. Characterization analysis evidenced that the CRA restorative procedure improves the adhesion between the substitutive materials and shows higher fracture strength than the PA ones. Anyway both the rebuilt systems are able to support the masticator load. An explanation of the interfacial post-abutment interaction phenomenon is discussed.

  19. Conventional and high intensity halogen light effects on water sorption and microhardness of orthodontic adhesives.

    Science.gov (United States)

    Uysal, Tancan; Basciftci, Faruk Ayhan; Sener, Yagmur; Botsali, Murat Selim; Demir, Abdullah

    2008-01-01

    To test the null hypothesis that when the equivalent total light energy is irradiated to three orthodontic adhesive resins, there is no difference between the microhardness and water sorption values regardless of the curing light sources. Samples were divided into six groups according to the combination of three orthodontic adhesives (Kurasper F, Light-Bond, Transbond XT) and two light intensities (quartz tungsten halogen [QTH] and high intensity quartz tungsten halogen [HQTH]). One half of each of the 40 samples of three adhesive pastes was polymerized for 20 seconds by a QTH light source, and the other half was polymerized for 10 seconds by a HQTH light source. Water sorption was determined and Vickers hardness was established with three measurements per sample at the top, center, and bottom. Statistical analysis was performed using two-way analysis of variance (ANOVA) with multiple comparisons (Tukey-HSD). Statistically significant differences were found among all adhesives for water sorption and hardness values cured with QTH and HQTH. The HQTH curing unit resulted in higher values than did the QTH. The highest water sorption values were observed for Kurasper F cured with HQTH and the lowest value was observed for Transbond XT cured with QTH. For microhardness Light-Bond cured with HQTH produced the highest values, and Transbond XT cured with QTH produced the lowest. When the equivalent total light energy is irradiated to three orthodontic adhesive resins, there are significant differences between the microhardness and water sorption values cured with the QTH and HQTH light source. The null hypothesis is rejected.

  20. Conventional and high-intensity halogen light effects on polymerization shrinkage of orthodontic adhesives.

    Science.gov (United States)

    Sener, Yagmur; Uysal, Tancan; Basciftci, Faruk Ayhan; Demir, Abdullah; Botsali, Murat Selim

    2006-07-01

    The objectives of this study were to compare the polymerization shrinkage of three orthodontic adhesives. In addition we wanted to determine the effectiveness of the high-intensity quartz tungsten halogen (HQTH) in curing orthodontic adhesives on polymerization shrinkage with that of the quartz tungsten halogen (QTH). A total of 120 glass ring molds were prepared using a low-speed saw. The internal surface of the glass rings were roughened and etched. Adhesive pastes were placed into the glass molds, which were sandwiched between two glass slides. Samples were divided into six groups according to the combination of three orthodontic adhesives (Kurasper F, Light Bond, and Transbond XT) and two light intensities. One half of each 40 samples of three adhesive pastes was polymerized for 20 seconds by a QTH (Hilux 350), and the other half was polymerized for 10 seconds by a HQTH (Optilux 501). The volumetric polymerization shrinkage for each system was measured through the specific density method modified by Puckett and Smith. Statistical analysis was performed using two-way analysis of variance for intergroup comparisons. The HQTH-curing unit resulted in a more polymerization shrinkage than did the QTH for all investigated adhesives. However, no statistically significant differences were found. The highest shrinkage was observed for Light Bond cured with HQTH (1.59 +/- 0.82%), and the lowest value was observed for Transbond XT cured with QTH (1.23 +/- 0.60%). There are no significant differences in polymerization shrinkage of the three investigated orthodontic adhesives when polymerized with a QTH or a HQTH.

  1. Enzymatic halogenation and dehalogenation reactions: pervasive and mechanistically diverse

    OpenAIRE

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

    2017-01-01

    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 substr...

  2. Fabrication of a novel quartz micromachined gyroscope

    Science.gov (United States)

    Xie, Liqiang; Xing, Jianchun; Wang, Haoxu; Wu, Xuezhong

    2015-04-01

    A novel quartz micromachined gyroscope is proposed in this paper. The novel gyroscope is realized by quartz anisotropic wet etching and 3-dimensional electrodes deposition. In the quartz wet etching process, the quality of Cr/Au mask films affecting the process are studied by experiment. An excellent mask film with 100 Å Cr and 2000 Å Au is achieved by optimization of experimental parameters. Crystal facets after etching seriously affect the following sidewall electrodes deposition process and the structure's mechanical behaviours. Removal of crystal facets is successfully implemented by increasing etching time based on etching rate ratios between facets and crystal planes. In the electrodes deposition process, an aperture mask evaporation method is employed to prepare electrodes on 3-dimensional surfaces of the gyroscope structure. The alignments among the aperture masks are realized by the ABM™ Mask Aligner System. Based on the processes described above, a z-axis quartz gyroscope is fabricated successfully.

  3. Quartz-Enhanced Photoacoustic Spectroscopy: A Review

    Science.gov (United States)

    Patimisco, Pietro; Scamarcio, Gaetano; Tittel, Frank K.; Spagnolo, Vincenzo

    2014-01-01

    A detailed review on the development of quartz-enhanced photoacoustic sensors (QEPAS) for the sensitive and selective quantification of molecular trace gas species with resolved spectroscopic features is reported. The basis of the QEPAS technique, the technology available to support this field in terms of key components, such as light sources and quartz-tuning forks and the recent developments in detection methods and performance limitations will be discussed. Furthermore, different experimental QEPAS methods such as: on-beam and off-beam QEPAS, quartz-enhanced evanescent wave photoacoustic detection, modulation-cancellation approach and mid-IR single mode fiber-coupled sensor systems will be reviewed and analysed. A QEPAS sensor operating in the THz range, employing a custom-made quartz-tuning fork and a THz quantum cascade laser will be also described. Finally, we evaluated data reported during the past decade and draw relevant and useful conclusions from this analysis. PMID:24686729

  4. Quartz-Enhanced Photoacoustic Spectroscopy: A Review

    Directory of Open Access Journals (Sweden)

    Pietro Patimisco

    2014-03-01

    Full Text Available A detailed review on the development of quartz-enhanced photoacoustic sensors (QEPAS for the sensitive and selective quantification of molecular trace gas species with resolved spectroscopic features is reported. The basis of the QEPAS technique, the technology available to support this field in terms of key components, such as light sources and quartz-tuning forks and the recent developments in detection methods and performance limitations will be discussed. Furthermore, different experimental QEPAS methods such as: on-beam and off-beam QEPAS, quartz-enhanced evanescent wave photoacoustic detection, modulation-cancellation approach and mid-IR single mode fiber-coupled sensor systems will be reviewed and analysed. A QEPAS sensor operating in the THz range, employing a custom-made quartz-tuning fork and a THz quantum cascade laser will be also described. Finally, we evaluated data reported during the past decade and draw relevant and useful conclusions from this analysis.

  5. Electronic dipole resonance in smoky quartz

    NARCIS (Netherlands)

    Kerssen, J.; Volger, J.

    1967-01-01

    Microwave absorption in smoky quartz mono-crystal is ascribed to resonance transitions of trapped electrons between initially configurational degenerated states, which are Stark-splitted by a polarizing electric field.

  6. Quartz-enhanced photoacoustic spectroscopy: a review.

    Science.gov (United States)

    Patimisco, Pietro; Scamarcio, Gaetano; Tittel, Frank K; Spagnolo, Vincenzo

    2014-03-28

    A detailed review on the development of quartz-enhanced photoacoustic sensors (QEPAS) for the sensitive and selective quantification of molecular trace gas species with resolved spectroscopic features is reported. The basis of the QEPAS technique, the technology available to support this field in terms of key components, such as light sources and quartz-tuning forks and the recent developments in detection methods and performance limitations will be discussed. Furthermore, different experimental QEPAS methods such as: on-beam and off-beam QEPAS, quartz-enhanced evanescent wave photoacoustic detection, modulation-cancellation approach and mid-IR single mode fiber-coupled sensor systems will be reviewed and analysed. A QEPAS sensor operating in the THz range, employing a custom-made quartz-tuning fork and a THz quantum cascade laser will be also described. Finally, we evaluated data reported during the past decade and draw relevant and useful conclusions from this analysis.

  7. Quartz Mountain/Oklahoma Summer Arts Institute.

    Science.gov (United States)

    Frates, Mary Y.; Madeja, Stanley S.

    1982-01-01

    Describes the Quartz Mountain Oklahoma Summer Arts Institute program. It is designed to nurture artistic talent and to provide intensive arts experiences in music, dance, theater, and the visual arts for talented students aged 14-18. (AM)

  8. Thermal neutron diffusion cooling in wet quartz

    Energy Technology Data Exchange (ETDEWEB)

    Drozdowicz, K. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, PL-31-342 Cracow (Poland)]. E-mail: krzysztof.drozdowicz@ifj.edu.pl; Krynicka, E. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, PL-31-342 Crakcw (Poland); Dabrowska, J. [Henryk Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, PL-31-342 Cracow (Poland)

    2007-07-15

    The thermal neutron diffusion parameters of a rock material depend on the rock matrix itself and on the water content. The effect has been studied in quartz by Monte Carlo (MC) simulations of the variable buckling experiment for nine series of samples. A hyperbolic dependence of the density-removed diffusion cooling coefficient on the water content shows a variability of this parameter by two orders of magnitude. The function obtained for wet quartz is compared with the analogous dependence for wet dolomite.

  9. Quartz-superconductor quantum electromechanical system

    OpenAIRE

    Woolley, M. J.; Emzir, M. F.; Milburn, G. J.; Jerger, M.; Goryachev, M.; Tobar, M. E.; Fedorov, A.

    2016-01-01

    We propose and analyse a quantum electromechanical system composed of a monolithic quartz bulk acoustic wave (BAW) oscillator coupled to a superconducting transmon qubit via an intermediate LC electrical circuit. Monolithic quartz oscillators offer unprecedentedly high effective masses and quality factors for the investigation of mechanical oscillators in the quantum regime. Ground-state cooling of such mechanical modes via resonant piezoelectric coupling to an LC circuit, which is itself sid...

  10. Quartz-Enhanced Photoacoustic Spectroscopy: A Review

    OpenAIRE

    Pietro Patimisco; Gaetano Scamarcio; Tittel, Frank K.; Vincenzo Spagnolo

    2014-01-01

    A detailed review on the development of quartz-enhanced photoacoustic sensors (QEPAS) for the sensitive and selective quantification of molecular trace gas species with resolved spectroscopic features is reported. The basis of the QEPAS technique, the technology available to support this field in terms of key components, such as light sources and quartz-tuning forks and the recent developments in detection methods and performance limitations will be discussed. Furthermore, different experimen...

  11. Dehalogenation of halogenated fumigants by polysulfide salts.

    Science.gov (United States)

    Bondarenko, S; Zheng, W; Yates, S R; Gan, J

    2006-07-26

    Halogenated fumigants are among the most heavily used pesticides in agriculture. Because of their high mobility and toxicological characteristics, the contamination of air or groundwater by these compounds has been a great environmental concern. In this study, we investigated dehalogenation of several halogenated fumigants by polysulfides. The reaction of polysulfides and methyl iodide (MeI), 1,3-dichloropropene (1,3-D), and chloropicrin (CP) was very rapid. When the initial fumigant and polysulfide concentrations were both 0.2 mM, the observed 50% disappearance time values (DT50) of MeI, cis-1,3-D, and trans-1,3-D were 27.2, 29.6, and 102 h, respectively. When the initial polysulfide concentration was 1.0 mM, the corresponding DT50 values were only 2.2, 1.6, and 3.8 h. Under similar conditions, the reaction with CP was even more rapid than with the other fumigants. In 0.2 mM polysulfide solution, more than 90% of the spiked CP disappeared in 1 h after the initiation of the reaction. The reaction between fumigants and polysulfides also progressed at enhanced rates when the polysulfide solution was initially purged with nitrogen. Analysis of reaction kinetics and initial products suggests that the reaction is SN2 nucleophilic substitution for MeI and 1,3-D but likely reductive dehalogenation for CP. Given the high reactivity of polysulfide salts toward halogenated fumigants, this reaction may be used as a pollution mitigation strategy, such as for disposal of fumigant wastes, treatment of fumigant-containing wastewater, and cleanup of fumigant residues in environmental media.

  12. Boiling Heat Transfer to Halogenated Hydrocarbon Refrigerants

    Science.gov (United States)

    Yoshida, Suguru; Fujita, Yasunobu

    The current state of knowledge on heat transfer to boiling refrigerants (halogenated hydrocarbons) in a pool and flowing inside a horizontal tube is reviewed with an emphasis on information relevant to the design of refrigerant evaporators, and some recommendations are made for future research. The review covers two-phase flow pattern, heat transfer characteristics, correlation of heat transfer coefficient, influence of oil, heat transfer augmentation, boiling from tube-bundle, influence of return bend, burnout heat flux, film boiling, dryout and post-dryout heat transfer.

  13. Halogenation processes of secondary organic aerosol and implications on halogen release mechanisms

    Directory of Open Access Journals (Sweden)

    J. Ofner

    2012-07-01

    Full Text Available Reactive halogen species (RHS, such as X·, X2 and HOX containing X = chlorine and/or bromine, are released by various sources like photo-activated sea-salt aerosol or from salt pans, and salt lakes. Despite many studies of RHS reactions, the potential of RHS reacting with secondary organic aerosol (SOA and organic aerosol derived from biomass-burning (BBOA has been neglected. Such reactions can constitute sources of gaseous organohalogen compounds or halogenated organic matter in the tropospheric boundary layer and can influence physicochemical properties of atmospheric aerosols.

    Model SOA from α-pinene, catechol, and guaiacol was used to study heterogeneous interactions with RHS. Particles were exposed to molecular chlorine and bromine in an aerosol smog-chamber in the presence of UV/VIS irradiation and to RHS, released from simulated natural halogen sources like salt pans. Subsequently, the aerosol was characterized in detail using a variety of physicochemical and spectroscopic methods. Fundamental features were correlated with heterogeneous halogenation, which results in new functional groups (FTIR spectroscopy, changes UV/VIS absorption, chemical composition (ultrahigh resolution mass spectroscopy (ICR-FT/MS, or aerosol size distribution. However, the halogen release mechanisms were also found to be affected by the presence of organic aerosol. Those interaction processes, changing chemical and physical properties of the aerosol are likely to influence e.g. the ability of the aerosol to act as cloud condensation nuclei, its potential to adsorb other gases with low-volatility, or its contribution to radiative forcing and ultimately the Earth's radiation balance.

  14. Halogenation of aromatic compounds: thermodynamic, mechanistic and ecological aspects

    NARCIS (Netherlands)

    Dolfing, J.

    1998-01-01

    Biological halogenation of aromatic compounds implies the generation of reducing equivalents in the form of e.g. NADH. Thermodynamic calculations show that coupling the halogenation step to a step in which the reducing equivalents are oxidized with a potent oxidant such as O2 or N2O makes the

  15. Scientific conferences: A big hello to halogen bonding

    Science.gov (United States)

    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.

  16. Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules.

    Science.gov (United States)

    Řezáč, Jan; Riley, Kevin E; Hobza, Pavel

    2012-11-13

    We present a set of 40 noncovalent complexes of organic halides, halohydrides, and halogen molecules where the halogens participate in a variety of interaction types. The set, named X40, covers electrostatic interactions, London dispersion, hydrogen bonds, halogen bonding, halogen-π interactions, and stacking of halogenated aromatic molecules. Interaction energies at equilibrium geometries were calculated using a composite CCSD(T)/CBS scheme where the CCSD(T) contribution is calculated using triple-ζ basis sets with diffuse functions on all atoms but hydrogen. For each complex, we also provide 10 points along the dissociation curve calculated at the CCSD(T)/CBS level. We use this accurate reference to assess the accuracy of selected post-HF methods.

  17. [Near infrared light irradiator using halogen lamp].

    Science.gov (United States)

    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.

  18. On The Nature of the Halogen Bond.

    Science.gov (United States)

    Wang, Changwei; Danovich, David; Mo, Yirong; Shaik, Sason

    2014-09-09

    The wide-ranging applications of the halogen bond (X-bond), notably in self-assembling materials and medicinal chemistry, have placed this weak intermolecular interaction in a center of great deal of attention. There is a need to elucidate the physical nature of the halogen bond for better understanding of its similarity and differences vis-à-vis other weak intermolecular interactions, for example, hydrogen bond, as well as for developing improved force-fields to simulate nano- and biomaterials involving X-bonds. This understanding is the focus of the present study that combines the insights of a bottom-up approach based on ab initio valence bond (VB) theory and the block-localized wave function (BLW) theory that uses monomers to reconstruct the wave function of a complex. To this end and with an aim of unification, we studied the nature of X-bonds in 55 complexes using the combination of VB and BLW theories. Our conclusion is clear-cut; most of the X-bonds are held by charge transfer interactions (i.e., intermolecular hyperconjugation) as envisioned more than 60 years ago by Mulliken. This is consistent with the experimental and computational findings that X-bonds are more directional than H-bonds. Furthermore, the good linear correlation between charge transfer energies and total interaction energies partially accounts for the success of simple force fields in the simulation of large systems involving X-bonds.

  19. Independent Evolution of Six Families of Halogenating Enzymes.

    Directory of Open Access Journals (Sweden)

    Gangming Xu

    Full Text Available 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.

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

    Science.gov (United States)

    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.

  1. Estimating Quartz Reserves Using Compositional Kriging

    Directory of Open Access Journals (Sweden)

    J. Taboada

    2013-01-01

    Full Text Available The aim of this study was to determine spatial distribution and volume of four commercial quartz grades, namely, silicon metal, ferrosilicon, aggregate, and kaolin (depending on content in impurities in a quartz seam. The chemical and mineralogical composition of the reserves in the seam were determined from samples collected from outcrops, blasting operations, and exploratory drilling, and compositional kriging was used to calculate the volume and distribution of the reserves. A more accurate knowledge of the deposit ensures better mine planning, leading to higher profitability and an improved relationship with the environment.

  2. Palladium-Catalyzed Directed Halogenation of Bipyridine N-Oxides.

    Science.gov (United States)

    Zucker, Sina P; Wossidlo, Friedrich; Weber, Manuela; Lentz, Dieter; Tzschucke, C Christoph

    2017-06-02

    The palladium-catalyzed directed C-H halogenation of bipyridine N-oxides was investigated. Using NCS or NBS (N-chloro- or N-bromosuccinimide) and 5 mol % Pd(OAc)2 in chlorobenzene (0.10 molar) at 110 °C, pyridine-directed functionalization took place and 3-chloro- or 3-bromobipyridine N-oxides were obtained in high yields. The reaction is sensitive to steric hindrance by 4- and 6'-substituents. Only in the latter case, where coordination of palladium by the pyridine is hindered, 3'-halogenation directed by the N-oxide function was observed. The halogenated products were deoxygenated by PCl3 or PBr3.

  3. Insights into enzymatic halogenation from computational studies

    Directory of Open Access Journals (Sweden)

    Hans Martin Senn

    2014-11-01

    Full Text Available The halogenases are a group of enzymes that have only come to the fore over the last ten years thanks to the discovery and characterization of several of novel representatives. They have re-vealed the fascinating variety of distinct chemical mechanisms that nature utilizes to activate and introduce halogens into organic substrates. Computational studies using a range of approaches have already elucidated many details of the mechanisms of these enzymes, often in synergistic combination with experiment. This Review summarizes the main insights gained from these stud-ies. It also seeks to identify open questions that are amenable to computational investigations. The studies discussed herein also serve to illustrate some of the limitations of the current computa-tional approaches and the challenges encountered in computational mechanistic enzymology.

  4. Halogenated coumarin derivatives as novel seed protectants.

    Science.gov (United States)

    Brooker, N; Windorski, J; Bluml, E

    2008-01-01

    Development of new and improved antifungal compounds that are target-specific is backed by a strong Federal, public and commercial mandate. Many plant-derived chemicals have proven fungicidal properties, including the coumarins (1,2-Benzopyrone) found in a variety of plants such as clover, sweet woodruff and grasses. Preliminary research has shown the coumarins to be a highly active group of molecules with a wide range of antimicrobial activity against both fungi and bacteria. It is believed that these cyclic compounds behave as natural pesticidal defence molecules for plants and they represent a starting point for the exploration of new derivative compounds possessing a range of improved antifungal activity. Within this study, derivatives of coumarin that were modified with halogenated side groups were screened for their antifungal activity against a range of soil-borne plant pathogenic fungi. Fungi included in this in vitro screen included Macrophomina phaseolina (charcoal rot), Phytophthora spp. (damping off and seedling rot), Rhizoctonia spp. (damping off and root rot) and Pythium spp. (seedling blight), four phylogenetically diverse and economically important plant pathogens. Studies indicate that these halogenated coumarin derivatives work very effectively in vitro to inhibit fungal growth and some coumarin derivatives have higher antifungal activity and stability as compared to the original coumarin compound alone. The highly active coumarin derivatives are brominated, iodinated and chlorinated compounds and results suggest that besides being highly active, very small amounts can be used to achieve LD100 rates. In addition to the in vitro fungal inhibition assays, results of polymer seed coating compatibility and phytotoxicity testing using these compounds as seed treatments will also be reported. These results support additional research in this area of natural pesticide development.

  5. Ring halogenation of 1,8- and 4,5- dialkylisoquinolines. 1,8- oyobi 4,5- dialkylisoquinolines rui no kaku halogen ka hanno

    Energy Technology Data Exchange (ETDEWEB)

    Niimi, A.; Saito, T.; Tanaka, F.; Nagao, Y.; Abe, Y.; Misono, T. (Science Univ. of Tokyo, Tokyo (Japan). Faculty of Science and Technology)

    1991-09-10

    In this paper, synthesis of halogenoisoquinoline by nucleus substituting halogenation was investigated. Since syntesis of isoquinoline with an alkyl group at its peri-position is difficult, it has not been done often, but here, among these syntheses, halogenation of 1,8-dimethylisoquinoline 1 and 5,6-dihydro-4H-benzo bdec isoquinoline 2 was made. For halogenation, two kinds of methods were studied, namely the method with free bromine and iodine in sulfuric acid in the presence of silver sulfate and the method with N-bromo and N-chlorosuccinimide in sulfuric acid. As a result, in either case, concerning 1 above, the 5-position was halogenated, and concerning 2 above, the 9-position was halogenated, hence it was elucidated that the positions were halogenated which were similar to the case of the halogenation of alkylquinolines such as 8-methylquinolines with the 5- and 7-positions to be halogenated. 11 refs., 2 figs., 3 tabs.

  6. LED and Halogen Light Transmission through a CAD/CAM Lithium Disilicate Glass-Ceramic.

    Science.gov (United States)

    Pereira, Carolina Nemesio de Barros; De Magalhães, Cláudia Silami; Daleprane, Bruno; Peixoto, Rogéli Tibúrcio Ribeiro da Cunha; Ferreira, Raquel da Conceição; Cury, Luiz Alberto; Moreira, Allyson Nogueira

    2015-01-01

    The effect of thickness, shade and translucency of CAD/CAM lithium disilicate glass-ceramic on light transmission of light-emitting diode (LED) and quartz-tungsten-halogen units (QTH) were evaluated. Ceramic IPS e.max CAD shades A1, A2, A3, A3.5, high (HT) and low (LT) translucency were cut (1, 2, 3, 4 and 5 mm). Light sources emission spectra were determined. Light intensity incident and transmitted through each ceramic sample was measured to determine light transmission percentage (TP). Statistical analysis used a linear regression model. There was significant interaction between light source and ceramic translucency (p=0.008) and strong negative correlation (R=-0.845, pceramic thickness and TP. Increasing one unit in thickness led to 3.17 reduction in TP. There was no significant difference in TP (p=0.124) between shades A1 (ß1=0) and A2 (ß1=-0.45) but significant reduction occurred for A3 (ß1=-0.83) and A3.5 (ß1=-2.18). The interaction QTH/HT provided higher TP (ß1=0) than LED/HT (ß1=-2.92), QTH/LT (ß1=-3.75) and LED/LT (ß1=-5.58). Light transmission was more effective using halogen source and high-translucency ceramics, decreased as the ceramic thickness increased and was higher for the lighter shades, A1 and A2. From the regression model (R2=0.85), an equation was obtained to estimate TP value using each variable ß1 found. A maximum TP of 25% for QTH and 20% for LED was found, suggesting that ceramic light attenuation could compromise light cured and dual cure resin cements polymerization.

  7. Halogen chemistry reduces tropospheric O3 radiative forcing

    DEFF Research Database (Denmark)

    Sherwen, Tomás; Evans, Mat J.; Carpenter, Lucy J.

    2017-01-01

    to be represented in chemistry-transport models for an accurate simulation of present-day O3. Using the GEOS-Chem model we show that tropospheric halogen chemistry is likely more active in the present day than in the preindustrial. This is due to increased oceanic iodine emissions driven by increased surface O3......  ∼ 50 % of this reduction to increased bromine flux from the stratosphere,  ∼ 35 % to the ocean–atmosphere iodine feedback, and  ∼ 15 % to increased tropospheric sources of anthropogenic halogens. This reduction of tropospheric O3 radiative forcing due to halogens (0.087 Wm−2) is greater than that from...... the radiative forcing of stratospheric O3 (∼ 0.05 Wm−2). Estimates of RFTO3 that fail to consider halogen chemistry are likely overestimates (∼ 25 %)...

  8. Cardioprotective Effects Induced by Preconditioning with Halogenated Anesthetics

    Directory of Open Access Journals (Sweden)

    Papurica Marius

    2016-06-01

    Full Text Available Background: Numerous studies discuss the protective effects of halogenated anesthetics on myocyte injury induced by the ischemia-reperfusion syndrome of the heart. This mechanism is known as pharmacological preconditioning.

  9. UARS Halogen Occultation Experiment (HALOE) Level 3AT V001

    Data.gov (United States)

    National Aeronautics and Space Administration — The Halogen Occultation Experiment (HALOE) Level 3AT data product consists of daily vertical profiles of temperature, aerosol extinction and concentrations of HCl,...

  10. UARS Halogen Occultation Experiment (HALOE) Level 2 V001

    Data.gov (United States)

    National Aeronautics and Space Administration — The HALOE home page on the WWW is http://haloe.gats-inc.com/home/index.php The Halogen Occultation Experiment (HALOE) on NASA's Upper Atmosphere Research Satellite...

  11. Halogenation dictates the architecture of amyloid peptide nanostructures.

    Science.gov (United States)

    Pizzi, Andrea; Pigliacelli, Claudia; Gori, Alessandro; Nonappa; Ikkala, Olli; Demitri, Nicola; Terraneo, Giancarlo; Castelletto, Valeria; Hamley, Ian W; Baldelli Bombelli, Francesca; Metrangolo, Pierangelo

    2017-07-20

    Amyloid peptides yield a plethora of interesting nanostructures though difficult to control. Here we report that depending on the number, position, and nature of the halogen atoms introduced into either one or both phenylalanine benzene rings of the amyloid β peptide-derived core-sequence KLVFF, four different architectures were obtained in a controlled manner. Our findings demonstrate that halogenation may develop as a general strategy to engineer amyloidal peptide self-assembly and obtain new amyloidal nanostructures.

  12. Geology of the Quartz Creek Pegmatite District, Gunnison County Colorado

    Science.gov (United States)

    Staatz, Mortimer H.; Trites, A.F.

    1952-01-01

    The Quartz Creek pegmatite district includes an area about 29 square miles in the vicinity of Quartz Creek in Gunnison County,. Colo. This area contains 1,803 pegmatites that are intruded into pre-Cambrian rocks.

  13. Data for fire hazard assessment of selected non-halogenated and halogenated fire retardants: Report of Test FR 3983

    Science.gov (United States)

    Harris, R. H.; Babrauskas, V.; Levin, B. C.; Paabo, M.

    1991-10-01

    Five plastic materials, with and without fire retardants, were studied to compare the fire hazards of non-halogenated fire retardant additives with halogenated flame retardents. The plastic materials were identified by the sponsors as unsaturated polyesters, thermoplastic high density, low density and cross-linked low density polyethylenes, polypropylene, flexible and rigid poly(vinyl chlorides), and cross-linked and thermoplastic ethylene-vinyl acetate copolymers. The non-halogenated fire retardants tested were aluminum hydroxide, also known as alumina trihydrate, sodium alumino-carbonate, and magnesium hydroxide. The halogenated flame retardants were chlorine or bromine/antimony oxides. The plastics were studied using the Cone Calorimeter and the cup furnace smoke toxicity method (high density polyethylene only). The Cone Calorimeter provided data on mass consumed; time to ignition; peak rate and peak time of heat release; total heat release; effective heat of combustion; average yields of CO, CO2, HCl, and HBr; and average smoke obscuration. The concentrations of toxic gases generated in the cup furnace smoke toxicity method were used to predict the toxic potency of the mixed thermal decomposition products. The data from the Cone Calorimeter indicate that the non-halogenated fire retardants were, in most of the tested plastic formulations, more effective than the halogenated flame retardants in increasing the time to ignition. The non-halogenated fire retardants were also more effective in reducing the mass consumed, peak rate of heat release, total heat released, and effective smoke produced. The use of halogenated flame retardants increased smoke production and CO yields and, additionally, produced the known acid gases and toxic irritants, HCl and HBr, in measureable quantities.

  14. The relative roles of electrostatics and dispersion in the stabilization of halogen bonds.

    Science.gov (United States)

    Riley, Kevin E; Hobza, Pavel

    2013-11-07

    In this work we highlight recent work aimed at the characterization of halogen bonds. Here we discuss the origins of the σ-hole, the modulation of halogen bond strength by changing of neighboring chemical groups (i.e. halogen bond tuning), the performance of various computational methods in treating halogen bonds, and the strength and character of the halogen bond, the dihalogen bond, and two hydrogen bonds in bromomethanol dimers (which serve as model complexes) are compared. Symmetry adapted perturbation theory analysis of halogen bonding complexes indicates that halogen bonds strongly depend on both dispersion and electrostatics. The electrostatic interaction that occurs between the halogen σ-hole and the electronegative halogen bond donor is responsible for the high degree of directionality exhibited by halogen bonds. Because these noncovalent interactions have a strong dispersion component, it is important that the computational method used to treat a halogen bonding system be chosen very carefully, with correlated methods (such as CCSD(T)) being optimal. It is also noted here that most forcefield-based molecular mechanics methods do not describe the halogen σ-hole, and thus are not suitable for treating systems with halogen bonds. Recent attempts to improve the molecular mechanics description of halogen bonds are also discussed.

  15. Geology and geochemistry of giant quartz veins from the ...

    Indian Academy of Sciences (India)

    The green colour is sometimes due to the presence of secondary epi- dote and chlorite. Very fine-grained green quartz similar to colloidal quartz is also observed in places. Quartz grains occurring within grey-coloured giant veins are highly strained in nature. A number of thin (up to 10cm; figure 3c) sub- vertical, milky white ...

  16. Quartz exposure and increased respiratory symptoms among coal ...

    African Journals Online (AJOL)

    Quartz has been an inevitable composition of different type of coal mined. The quartz exposures among coalmine workers has been attributed to activities such as cutting the adjacent rock, the roof, the floor and the intrusions. Objective: The aim of the study is to determine the associations between quartz exposures and ...

  17. Negative Halogen Ions for Fusion Applications

    Energy Technology Data Exchange (ETDEWEB)

    Grisham, L.R.; Kwan, J.W.; Hahto, S.K.; Hahto, S.T.; Leung, K.N.; Westenskow, G.

    2006-01-01

    Over the past quarter century, advances in hydrogen negative ion sources have extended the usable range of hydrogen isotope neutral beams to energies suitable for large magnetically confined fusion devices. Recently, drawing upon this experience, negative halogen ions have been proposed as an alternative to positive ions for heavy ion fusion drivers in inertial confinement fusion, because electron accumulation would be prevented in negative ion beams, and if desired, the beams could be photo-detached to neutrals. This paper reports the results of an experiment comparing the current density and beam emittance of Cl+ and Cl- extracted from substantially ion-ion plasmas with that of Ar+ extracted from an ordinary electron-ion plasma, all using the same source, extractor, and emittance scanner. At similar discharge conditions, the Cl- current was typically 85 – 90% of the positive chlorine current, with an e-/ Cl- ratio as low as seven without grid magnets. The Cl- was as much as 76% of the Ar+ current from a discharge with the same RF drive. The minimum normalized beam emittance and inferred ion temperatures of Cl+, Cl-, and Ar+ were all similar, so the current density and optical quality of Cl- appear as suitable for heavy ion fusion driver applications as a positive noble gas ion of similar mass. Since F, I, and Br should all behave similarly in an ion source, they should also be suitable as driver beams.

  18. The CMS forward calorimeter with quartz fibres

    CERN Multimedia

    Laurent Guiraud

    1999-01-01

    Part of the forward hadron calorimeter for the CMS experiment at the LHC is seen here. The calorimeter will be placed at the ends of the experiment barrel to measure the energy of particles produced in the 14 TeV proton-proton collisions. In consists of an iron absorber and specially designed radiation-hard quartz so that it survives the high radiation levels produced by collisions.

  19. Liquinert quartz crucible for the growth of multicrystalline Si ingots

    OpenAIRE

    Fujiwara, Kozo; Horioka, Yukichi; Sakuragi, Shiro

    2017-01-01

    The growth of a multicrystalline silicon (mc-Si) ingot for solar cell applications was attempted using a Liquinert quartz crucible. A mc-Si ingot was also grown in a quartz crucible coated with Si3N4 powder for comparison with that from the Liquinert quartz crucible. The mc-Si ingot grown in the Liquinert quartz crucible had a shinier surface which has few impurity particles and higher minority carrier lifetime than the mc-Si ingot grown in a quartz crucible coated with Si3N4 powder. These re...

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

    Science.gov (United States)

    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.

  1. Experimental diagenesis of quartz with petroleum; Diagenese experimentale du quartz en presence d'hydrocarbures

    Energy Technology Data Exchange (ETDEWEB)

    Teinturier, St.

    2002-11-01

    Quartz cementation has a great impact on petroleum reservoir quality by controlling the porosity and thus the gas or oil storage. However, the possible cementation of quartz during petroleum emplacement is still debated. In most cases, the reconstitution and the understanding of diagenetic processes is based on fluid inclusions studies. However, many questions concerning the representativeness and the reading of the fluid inclusions still remains misunderstood. The experiments were carried out in a silica{+-}water{+-}salts{+-}oil{+-}gas system with the objective to simulate the siliceous diagenesis of natural petroleum reservoirs and to better understand the mechanisms of fluid inclusions formation and quartz cementation in a water and/or petroleum system. Calibration curves have been established using Raman micro-spectroscopy and synthetic reference inclusions to calculate the methane content of aqueous inclusions in the H{sub 2}O-CH{sub 4}-NaCl system. A quantitative procedure for FT-IR micro-spectrometry has been developed to obtain, from individual petroleum fluid inclusions, mole % concentrations of methane, alkanes and carbon dioxide as constraints to thermodynamic modelling. Synthetic aqueous inclusions were created within quartz micro-fractures, with methane (from 150 deg C-200 bar), with petroleum (from 184 deg C-163 bar) and inside quartz overgrowth with the presence of hydrocarbons (from 277 deg C-300 bar). Synthetic petroleum inclusions were created with different water/oil ratios (W/O) within quartz micro-fractures (0quartz overgrowth (10

  2. Identifying well-bleached quartz using the different bleaching rates of quartz and feldspar luminescence signals

    DEFF Research Database (Denmark)

    Murray, A.S.; Thomsen, Kristina Jørkov; Masuda, N.

    2012-01-01

    When dating older sedimentary deposits using quartz, there are no unambiguous methods for identifying the presence of incomplete bleaching. Current statistical analysis of dose distributions depends entirely on the assumption that incomplete bleaching and mixing are the main causes of any excess...... dispersion in the distribution; the only existing way to test this assumption is using independent age control. Here we suggest a new approach to this question, based on the differential bleaching rates of quartz and feldspar luminescence signals. We first present data that confirm the differences...... in relative bleaching rates of quartz optically stimulated luminescence (OSL) and feldspar luminescence stimulated at 50 °C by infrared light (IR50) and feldspar luminescence stimulated at 290 °C by infrared light after a stimulation at 50 °C (pIRIR290), and use recently deposited samples to determine...

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

    Science.gov (United States)

    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...

  4. Quartz Enhanced Photoacoustic Spectroscopy Based Trace Gas Sensors Using Different Quartz Tuning Forks

    OpenAIRE

    Yufei Ma; Guang Yu; Jingbo Zhang; Xin Yu; Rui Sun; Tittel, Frank K.

    2015-01-01

    A sensitive trace gas sensor platform based on quartz-enhanced photoacoustic spectroscopy (QEPAS) is reported. A 1.395 ?m continuous wave (CW), distributed feedback pigtailed diode laser was used as the excitation source and H2O was selected as the target analyte. Two kinds of quartz tuning forks (QTFs) with a resonant frequency (f0 ) of 30.72 kHz and 38 kHz were employed for the first time as an acoustic wave transducer, respectively for QEPAS instead of a standard QTF with a f0 of 32.768 kH...

  5. Ozone-Activated Halogenation of Mono- and Dimethylbipyrrole in Seawater.

    Science.gov (United States)

    Kumar, Abdhesh; Borgen, Miles; Aluwihare, Lihini I; Fenical, William

    2017-01-03

    Polyhalogenated N-methylbipyrroles of two different structure classes have been detected worldwide in over 100 environmental samples including seawater, bird eggs, fish, dolphin blubber, and in the breast milk of humans that consume seafood. These molecules are concentrated in the fatty tissues in comparable abundance to some of the most important anthropogenic contaminants, such as the halogenated flame-retardants and pesticides. Although the origin of these compounds is still unknown, we present evidence that the production of these materials can involve the direct ozone activated seawater halogenation of N-methylbipyrrole precursors. This observation shows that environmental polyhalogenated bipyrroles can be produced via an abiotic process, and implies that the ozone activated halogenation of a variety of natural and anthropogenic seawater organics may be a significant process occurring in surface ocean waters.

  6. Biodegradation of Trihalomethanes and Other Halogenated Aliphatic Compounds

    Science.gov (United States)

    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.

  7. Distribution of halogens during fluid-mediated apatite replacement

    Science.gov (United States)

    Kusebauch, Christof; John, Timm; Whitehouse, Martin J.

    2016-04-01

    Apatite (Ca5(PO4)3(F,Cl,OH)) is one the most abundant halogen containing minerals in the crust. It is present in many different rock types and stable up to P-T conditions of the mantle. Although probably not relevant for the halogen budget of the mantle, apatite is potentially a carrier phase of halogens into the mantle via subduction processes and therefore important for the global halogen cycle. Different partitioning behavior of the halogens between apatite and melt/fluids causes fractionation of these elements. In hydrothermal environments apatite reacts via a coupled dissolution-reprecipitation process that leads to apatite halogen compositions which are in (local) equilibrium with the hydrothermal fluid. This behavior enables apatite to be used as fluid probe and as a tool for tracking fluid evolution during fluid-rock interaction. Here, we present a combined experimental and field related study focused on replacement of apatite under hydrothermal conditions, to investigate the partitioning of halogens between apatite and fluids. Experiments were conducted in a cold seal pressure apparatus at 0.2 GPa and temperatures ranging from 400-700°C using halogen bearing solutions of different composition (KOH, NaF, NaCl, NaBr, NaI) to promote the replacement of Cl-apatite. The halogen composition of reacted apatite was analyzed by electron microprobe (EMPA) and secondary ion mass spectrometry (SIMS). The data was used to calculate partition coefficients of halogens between fluid and apatite. Our new partitioning data show that fluorine is the most compatible halogen followed by chlorine, bromine and iodine. Comparison between partition coefficients of the apatite-fluid system and coefficients derived in the apatite-melt system reveals values for F that are one to two orders of magnitude higher. In contrast, Cl and Br show a similar partition behavior in fluid and melt systems. Consequently, apatite that formed by fluid-rock interaction will fractionate F from Cl more

  8. The role of halogen species in the troposphere.

    Science.gov (United States)

    Platt, U; Hönninger, G

    2003-07-01

    While the role of reactive halogen species (e.g. Cl, Br) in the destruction of the stratospheric ozone layer is well known, their role in the troposphere was investigated only since their destructive effect on boundary layer ozone after polar sunrise became obvious. During these 'Polar Tropospheric Ozone Hole' events O(3) is completely destroyed in the lowest approximately 1000 m of the atmosphere on areas of several million square kilometres. Up to now it was assumed that these events were confined to the polar regions during springtime. However, during the last few years significant amounts of BrO and Cl-atoms were also found outside the Arctic and Antarctic boundary layer. Recently even higher BrO mixing ratios (up to 176 ppt) were detected by optical absorption spectroscopy (DOAS) in the Dead Sea basin during summer. In addition, evidence is accumulating that BrO (at levels around 1-2 ppt) is also occurring in the free troposphere at all latitudes. In contrast to the stratosphere, where halogens are released from species, which are very long lived in the troposphere, likely sources of boundary layer Br and Cl are autocatalytic oxidation of sea salt halides (the 'Bromine Explosion'), while precursors of free tropospheric BrO and coastal IO probably are short-lived organo-halogen species. At the levels suggested by the available measurements reactive halogen species have a profound effect on tropospheric chemistry: In the polar boundary layer during 'halogen events' ozone is usually completely lost within hours or days. In the free troposphere the effective O(3)-losses due to halogens could be comparable to the known photochemical O(3) destruction. Further interesting consequences include the increase of OH levels and (at low NO(X)) the decrease of the HO(2)/OH ratio in the free troposphere.

  9. Reactive halogen species above salt lakes and salt pans

    OpenAIRE

    Holla, Robert

    2013-01-01

    Salt lakes can be found on all continents and saline soils cover 2.5% of the land surface of the earth (FAO, 2012). This thesis investigates the presence of reactive halogen species (RHS) above salt lakes and saline soils to evaluate their relevance for tropospheric chemistry of the planetary boundary layer. Ground-based MAX-DOAS and LP-DOAS measurements were conducted at salt lakes and two other sites with high halogen content. Prior to this work, RHS were found at three salt ...

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

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. 40 CFR 721.5452 - Alkali metal salt of halogenated organoborate (generic).

    Science.gov (United States)

    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...

  12. Inconel crucibles - an alternative to quartz glass crucibles when analysing problematic samples by EA-IRMS

    Science.gov (United States)

    Meier-Augenstein, Wolfram; Kemp, Helen; Neal, Ken

    2013-04-01

    Anecdotal evidence as well as observations made in our own stable isotope laboratory suggest for samples with either a high halogen content (such as marine samples) or a high carbon and oxygen content (such as carbohydrates) to result in flash combustion temperatures exceeding temperature or burn time or both of flash combustion under typical conditions. Whatever the exact circumstances during combustion of such samples, they weaken the wall of the quartz glass reactors in the combustion zone and ultimately lead to pin-prick holes being formed through which carrier gas escapes thus resulting in a dramatic loss of carrier gas flow. Occasionally these pin-prick holes get plugged or "sealed" by molten tin thus restoring carrier gas flow but at the other end of the spectrum these pin-prick holes can become so wide for molten tin being able to pass through and to run down the outside of the reactor tube. In the latter event, a catastrophic failure of the reactor tube is inevitable with carrier gas flow downstream of the holes dropping to almost zero. While pin-prick holes (going unnoticed during an autosampler run of a large batch of samples) typically result in the loss of 3 or 4 samples until the hole/s "self-sealed" with molten tin, in a worst case scenario a catastrophic failure of the reactor tube can result in the loss of 40 or more samples (depending on number of samples in a batch run and when the failure occurred). Here we present examples of combustion reactor failure as well as observations made with crucibles made of quartz glass, stainless steel or inconel alloy during experiments to see if crucible design can mitigate against the effects of problematic samples.

  13. Halogen and Cl isotopic systematics in Martian phosphates: Implications for the Cl cycle and surface halogen reservoirs on Mars

    Science.gov (United States)

    Bellucci, J. J.; Whitehouse, M. J.; John, T.; Nemchin, A. A.; Snape, J. F.; Bland, P. A.; Benedix, G. K.

    2017-01-01

    The Cl isotopic compositions and halogen (Cl, F, Br, and I) abundances in phosphates from eight Martian meteorites, spanning most rock types and ages currently available, have been measured in situ by Secondary Ion Mass Spectrometry (SIMS). Likewise, the distribution of halogens has been documented by x-ray mapping. Halogen concentrations range over several orders of magnitude up to some of the largest concentrations yet measured in Martian samples or on the Martian surface, and the inter-element ratios are highly variable. Similarly, Cl isotope compositions exhibit a larger range than all pristine terrestrial igneous rocks. Phosphates in ancient (>4 Ga) meteorites (orthopyroxenite ALH 84001 and breccia NWA 7533) have positive δ37Cl anomalies (+1.1 to + 2.5 ‰). These samples also exhibit explicit whole rock and grain scale evidence for hydrothermal or aqueous activity. In contrast, the phosphates in the younger basaltic Shergottite meteorites (Phosphates with the largest negative δ37Cl anomalies display zonation in which the rims of the grains are enriched in all halogens and have significantly more negative δ37Cl anomalies suggestive of interaction with the surface of Mars during the latest stages of basalt crystallization. The phosphates with no textural, major element, or halogen enrichment evidence for mixing with this surface reservoir have an average δ37Cl of - 0.6 ‰, supporting a similar initial Cl isotope composition for Mars, the Earth, and the Moon. Oxidation and reduction of chlorine are the only processes known to strongly fractionate Cl isotopes, both positively and negatively, and perchlorate has been detected in weight percent concentrations on the Martian surface. The age range and obvious mixing history of the phosphates studied here suggest perchlorate formation and halogen cycling via brines, which have been documented on the Martian surface, has been active throughout Martian history.

  14. Production of quartz plates for CMS-CASTOR Experiment

    CERN Document Server

    Adiguzel, Aytul; Ayhan, Aydin; Bakirci, Mustafa Numan; Basegmez, Suzan; Beaumont, Willem; Borras, Kerstin; Campbell, Alan; De Paula Carvalho, W; Çerçi, Salim; De Jesus Damiao, Dilson; Dogangün, O; Dumanoglu, Isa; d'Enterria, David; Erchov, Y; Eskut, Eda; Figueiredo, D; Girgis, Semiray; Göttlicher, P; Gouskos, Loukas; Gurpinar, Emine; Hos, Ilknur; Katkov, Igor; Katsas, Panagiotis; Khein, Lev; Knutsson, Albert; Kuznetsov, Andrey; Lebeau, Michel; Van Mechelen, Pierre; Muhl, Carsten; Musienko, Yuri; Ochesanu, Silvia; Onengüt, G; Onengut, G Jr; Ozdemir, Kadri; Panagiotou, Apostolos; Polatoz, A; Ripert, Marion; Shileev, K; Sogut, Kenan; Tiflov, B TaliV; Kayis-Topaksu, A; Uzun, Dilber

    2008-01-01

    Light transmission rate performance of $102$ irradiated quartz samples was measured to select the best quartz plates for CMS-CASTOR calorimeter. All the produced quartz plates were originally used in a previous CERN experiment, DELPHI. Three different doses of $^{60}$Co source were used with the collaboration of PSI (Paul Scherrer Institute, Villigen PSI, Switzerland.) to study the transmission rate performance of the quartz samples after irradiation for different incident light, ranging from $250$ to $700$ nm in $5$ nm increasing steps. All samples show different decrease in the rate with wavelength for different doses. Three different steps were followed before irradiation to find out the best way of cleaning the original DELPHI Cu/Cr tracks on the samples. Results of these measurements presented here correspond to the quartz plates that will be used in one hadronic sector of CASTOR calorimeter until end of 2008. For the full calorimeter new quartz plates will be installed. We also present the light transmi...

  15. Luminescence sensitivity changes in quartz as a result of annealing

    DEFF Research Database (Denmark)

    Bøtter-Jensen, L.; Agersnap Larsen, N.; Mejdahl, V.

    1995-01-01

    Retrospective dosimetry using optically stimulated luminescence (OSL) on quartz extracted from (for example) bricks needs to account for strong OSL sensitivity changes that are known to occur depending on the previous thermal treatment of the sample. Non-heated quartz exhibits OSL orders...... of magnitude less per unit radiation than that for heated material. The reason these temperature-induced sensitivity changes occur in quartz is presently not well understood. This phenomenon is also seen in the related area of luminescence dating in which sedimentary quartz and quartz from heated...... archaeological samples show very different OSL sensitivities. In this paper we report on studies of the effect of high temperature annealing on the OSL and phototransferred TL (PTTL) signals from sedimentary and synthetic quartz. A dramatic enhancement of both OSL and PTTL sensitivity was found especially...

  16. The role of deformation on trace element solubility in quartz: Observations from naturally deformed quartz-rich rocks and experimentally deformed Ti-doped synthetic quartz aggregates

    Science.gov (United States)

    Nachlas, W.; Whitney, D. L.; Teyssier, C.; Seaton, N. C.; Hirth, G.

    2011-12-01

    Recent advances in resolving the significance of trace element solubility (e.g., Ti) in quartz have largely focused on reconstructing the P-T-X conditions of equilibration. The calibration of Ti in quartz thermometry (TitaniQ) and the refined precision of analytical instrumentation for in-situ quantitative analysis make this a very effective technique for thermobarometric reconstructions of geologic events. However, the incorporation of trace impurities in the quartz lattice is likely to be affected by deformation, as crystal plasticity may influence the mobility of trace elements. To investigate the role of dynamic recrystallization on the accommodation of changing trace element solubility in quartz, this study combines measurements of trace element concentrations and distribution in naturally deformed quartz with high P-T deformation experiments of trace element doped synthetic quartz aggregates. Measurements of the trace element concentration of quartz from an extensional shear zone in the North American Cordillera provide insight to the behavior of trace elements during dynamic recrystallization associated with retrograde cooling and exhumation. Rutile-bearing quartzite mylonites from the Thor-Odin core complex, British Columbia, were selected for analysis based on the ability to determine Ti activity, the identification of a suitable protolith, and the existence of stable isotope thermometry that allows comparison with independent thermometers. High resolution quantitative analysis reveals systematic compositional variability: the interior of deformed quartz grains preserves a higher Ti concentration than the adjacent rim of the grain. This correlation between microstructural domain and trace element distribution suggests a relationship between the solubility of trace impurities and the mechanism of dynamic recrystallization in quartz. To experimentally investigate the role of deformation on the solubility of trace elements in quartz, synthetic quartz

  17. Phase transitions in shocked porous quartz

    Science.gov (United States)

    Akin, M. C.; Crum, R. S.; Lind, J.; Pagan, D. C.; Homel, M. A.; Hurley, R. C.; Herbold, E. B.

    2017-06-01

    The presence of porosity in granular media provides the means to probe regions of the phase diagram that do not coincide with the principal Hugoniot. In particular, the potential for increased heating is likely to lead to observable changes in phase boundaries. 55% dense quartz and forsterite were prepared by tap filling. These samples were shock compressed using the two stage light gas gun at DCS-APS to examine the impact of the increased porosity on the phase boundary. Here we discuss the observed changes to phase in quartz and forsterite compared to the fully dense materials, the effects of porosity upon compaction and phase transitions, and the implications for constructing the phase diagram. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work was supported by LLNL's LDRD program under Grant 16-ERD-010. The Dynamic Compression Sector (35) is supported by Department of Energy / National Nuclear Security Administration under Award Number DE-NA0002442. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.

  18. Note: sensitivity multiplication module for quartz crystal microbalance applications.

    Science.gov (United States)

    Burda, Ioan; Silaghi, Andreea; Tunyagi, Arthur; Simon, Simion; Popescu, Octavian

    2014-02-01

    In this Note, a novel sensitivity multiplication module was added to classical quartz crystal microbalance (QCM). The purpose is to increase QCM frequency shift without changing nominal frequency of the quartz crystal resonator or nominal frequency value delivered to the frequency counter. Allan deviance measurement confirms that the multiplication of the frequency shift is limited by the quartz crystal loads with direct effect in quartz crystal quality factor and oscillator stability. An experimental implementation of this new sensitivity multiplication module that can increase up to six times the frequency shift of the QCM was experimentally investigated using different load conditions.

  19. Is there theoretical evidence for mutual influence between halogen ...

    Indian Academy of Sciences (India)

    Ab initio MP2/6-311++G(d,p) level calculations have been carried out to investigate the interplay between the halogen and pnicogen-hydride bonds in NCX...OPH₃...HMgY complexes (X = F, Cl, Br; Y = F, Cl, Br, H). The results indicated that the cooperative effects are obvious in the target complexes. These effects were ...

  20. 40 CFR 721.535 - Halogenated alkane (generic).

    Science.gov (United States)

    2010-07-01

    ... Section 721.535 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) TOXIC SUBSTANCES... reporting. (1) The chemical substance identified generically as halogenated alkane (PMN P-01-433) is subject... part apply to this section except as modified by this paragraph. (1) Recordkeeping. Recordkeeping...

  1. A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy) Applications

    OpenAIRE

    Tomasz Starecki; Piotr Z. Wieczorek

    2017-01-01

    All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS) applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations. Taking into consideration that QEPAS sensors are based on quartz tuning forks, and that quartz has a relatively high voltage constant and relatively low charge constant, it seems that a transimpedance amplifier is not an optimal solution. This paper describes the ...

  2. Manganese Catalyzed C–H Halogenation

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Wei; Groves, John T.

    2015-06-16

    The remarkable aliphatic C–H hydroxylations catalyzed by the heme-containing enzyme, cytochrome P450, have attracted sustained attention for more than four decades. The effectiveness of P450 enzymes as highly selective biocatalysts for a wide range of oxygenation reactions of complex substrates has driven chemists to develop synthetic metalloporphyrin model compounds that mimic P450 reactivity. Among various known metalloporphyrins, manganese derivatives have received considerable attention since they have been shown to be versatile and powerful mediators for alkane hydroxylation and olefin epoxidation. Mechanistic studies have shown that the key intermediates of the manganese porphyrin-catalyzed oxygenation reactions include oxo- and dioxomanganese(V) species that transfer an oxygen atom to the substrate through a hydrogen abstraction/oxygen recombination pathway known as the oxygen rebound mechanism. Application of manganese porphyrins has been largely restricted to catalysis of oxygenation reactions until recently, however, due to ultrafast oxygen transfer rates. In this Account, we discuss recently developed carbon–halogen bond formation, including fluorination reactions catalyzed by manganese porphyrins and related salen species. We found that biphasic sodium hypochlorite/manganese porphyrin systems can efficiently and selectively convert even unactivated aliphatic C–H bonds to C–Cl bonds. An understanding of this novel reactivity derived from results obtained for the oxidation of the mechanistically diagnostic substrate and radical clock, norcarane. Significantly, the oxygen rebound rate in Mn-mediated hydroxylation is highly correlated with the nature of the trans-axial ligands bound to the manganese center (L–MnV$=$O). Based on the ability of fluoride ion to decelerate the oxygen rebound step, we envisaged that a relatively long-lived substrate radical could be trapped by a Mn–F fluorine source, effecting carbon–fluorine bond

  3. Two-Step Calibration of a Multiwavelength Pyrometer for High Temperature Measurement Using a Quartz Lamp

    Science.gov (United States)

    Ng, Daniel

    2001-01-01

    There is no theoretical upper temperature limit for pyrometer application in temperature measurements. NASA Glenn's multiwavelength pyrometer can make measurements over wide temperature ranges. However, the radiation spectral response of the pyrometer's detector must be calibrated before any temperature measurement is attempted, and it is recommended that calibration be done at temperatures close to those for which measurements will be made. Calibration is a determination of the constants of proportionality at all wavelengths between the detector's output (voltage) and its input signals (usually from a blackbody radiation source) in order to convert detector output into radiation intensity. To measure high temperatures, the detectors are chosen to be sensitive in the spectral range from 0.4 to 2.5 micrometers. A blackbody furnace equilibrated at around 1000 C is often used for this calibration. Though the detector may respond sensitively to short wavelengths radiation, a blackbody furnace at 1000 C emits only feebly at very short wavelengths. As a consequence, the calibration constants that result may not be the most accurate. For pyrometry calibration, a radiation source emitting strongly at the short wavelengths is preferred. We have chosen a quartz halogen lamp for this purpose.

  4. Brønsted acid-catalyzed α-halogenation of ynamides from halogenated solvents and pyridine-N-oxides.

    Science.gov (United States)

    Kim, Seung Woo; Um, Tae-Woong; Shin, Seunghoon

    2017-02-28

    The keteniminium ions generated from the protonation of ynamides formed reversible adducts with counter anions and pyridine-N-oxides as well as halogenated solvents. Above 80 °C, the halonium ions selectively undergo a rate-limiting attack by pyridine-N-oxides, leading to (E)-haloenamides in good yields.

  5. Quartz Enhanced Photoacoustic Spectroscopy Based Trace Gas Sensors Using Different Quartz Tuning Forks

    Directory of Open Access Journals (Sweden)

    Yufei Ma

    2015-03-01

    Full Text Available A sensitive trace gas sensor platform based on quartz-enhanced photoacoustic spectroscopy (QEPAS is reported. A 1.395 μm continuous wave (CW, distributed feedback pigtailed diode laser was used as the excitation source and H2O was selected as the target analyte. Two kinds of quartz tuning forks (QTFs with a resonant frequency (f0 of 30.72 kHz and 38 kHz were employed for the first time as an acoustic wave transducer, respectively for QEPAS instead of a standard QTF with a f0 of 32.768 kHz. The QEPAS sensor performance using the three different QTFs was experimentally investigated and theoretically analyzed. A minimum detection limit of 5.9 ppmv and 4.3 ppmv was achieved for f0 of 32.768 kHz and 30.72 kHz, respectively.

  6. Quartz enhanced photoacoustic spectroscopy based trace gas sensors using different quartz tuning forks.

    Science.gov (United States)

    Ma, Yufei; Yu, Guang; Zhang, Jingbo; Yu, Xin; Sun, Rui; Tittel, Frank K

    2015-03-27

    A sensitive trace gas sensor platform based on quartz-enhanced photoacoustic spectroscopy (QEPAS) is reported. A 1.395 μm continuous wave (CW), distributed feedback pigtailed diode laser was used as the excitation source and H2O was selected as the target analyte. Two kinds of quartz tuning forks (QTFs) with a resonant frequency (f0) of 30.72 kHz and 38 kHz were employed for the first time as an acoustic wave transducer, respectively for QEPAS instead of a standard QTF with a f0 of 32.768 kHz. The QEPAS sensor performance using the three different QTFs was experimentally investigated and theoretically analyzed. A minimum detection limit of 5.9 ppmv and 4.3 ppmv was achieved for f0 of 32.768 kHz and 30.72 kHz, respectively.

  7. Thermal quenching of thermoluminescence in quartz samples of various origin

    Energy Technology Data Exchange (ETDEWEB)

    Subedi, B. [Aristotle University of Thessaloniki, Nuclear Physics Laboratory, 54124-Thessaloniki (Greece); Oniya, E. [Archaeometry Laboratory, Cultural and Educational Technology Institute (C.E.T.I.), R.C. ' Athena' , Tsimiski 58, 67100 Xanthi (Greece); Physics and Electronics Department, Adekunle Ajasin University, PMB 01, Akungba Akoko (Nigeria); Polymeris, G.S. [ISIK University, Physics Department, Faculty of Science and Arts, 34980-Sile, Istanbul (Turkey); Afouxenidis, D.; Tsirliganis, N.C. [Archaeometry Laboratory, Cultural and Educational Technology Institute (C.E.T.I.), R.C. ' Athena' , Tsimiski 58, 67100 Xanthi (Greece); Kitis, G., E-mail: gkitis@auth.g [Aristotle University of Thessaloniki, Nuclear Physics Laboratory, 54124-Thessaloniki (Greece)

    2011-03-15

    The effect of thermal quenching stands among the most important properties in the thermoluminescence (TL) of quartz on which many applications of TL are based. Since the quartz samples used in various applications are all of different origin it is useful to investigate whether the values of the thermal quenching parameters, i.e. the activation energy for thermal quenching W and a parameter C which describes the ratio of non-radiative to radiative luminescence transitions, evaluated mainly in specific quartz samples can be extrapolated to quartz samples of unknown origin as well as to quartz samples which are annealed at high temperatures. In the present work the TL glow curve of a series of un-annealed and annealed natural and synthetic quartz samples were studied as a function of the heating rate between 0.25 K/s and 16 K/s. Using an indirect fitting method it was found that the thermal quenching parameters W and C in most of the quartz samples are very similar to the values accepted in the literature. Furthermore, in some cases the thermal quenching parameters W and C are not the same for all TL glow-peaks in the same glow-curve. Finally, the strong external treatment of annealing the quartz samples at very high temperature can also influence at least one of the thermal quenching parameters.

  8. Electron irradiation damage effects in hydrothermal grown quartz ...

    African Journals Online (AJOL)

    Electron irradiation effects in synthetic quartz single crystals were investigated to determine the extent of damage of the crystals during transmission electron microscopy examination, as the rapid deterioration is of major concern. On exposure of the quartz crystals to electron flux of 3.0 x 108 e/cm2/s at 200 kV accelerating ...

  9. Quartz exposure in agriculture: literature review and South African survey.

    NARCIS (Netherlands)

    Swanepoel, A.J.; Rees, D.; Renton, K.; Swanepoel, C.; Kromhout, H.|info:eu-repo/dai/nl/074385224; Gardiner, K.

    2010-01-01

    OBJECTIVES: To review the published literature on respirable quartz exposure and associated disease in agricultural related settings systematically and to describe personal respirable dust and quartz measurements collected on a sandy soil farm in the Free State province of South Africa. METHODS: The

  10. Removal of Ozone by Carbon Nanotubes/Quartz Fiber Film.

    Science.gov (United States)

    Yang, Shen; Nie, Jingqi; Wei, Fei; Yang, Xudong

    2016-09-06

    Ozone is recognized as a harmful gaseous pollutant, which can lead to severe human health problems. In this study, carbon nanotubes (CNTs) were tested as a new approach for ozone removal. The CNTs/quartz fiber film was fabricated through growth of CNTs upon pure quartz fiber using chemical vapor deposition method. Ozone conversion efficiency of the CNTs/quartz fiber film was tested for 10 h and compared with that of quartz film, activated carbon (AC), and a potassium iodide (KI) solution under the same conditions. The pressure resistance of these materials under different airflow rates was also measured. The results showed that the CNTs/quartz fiber film had better ozone conversion efficiency but also higher pressure resistance than AC and the KI solution of the same weight. The ozone removal performance of the CNTs/quartz fiber film was comparable with AC at 20 times more weight. The CNTs played a dominant role in ozone removal by the CNTs/quartz fiber film. Its high ozone conversion efficiency, lightweight and free-standing properties make the CNTs/quartz fiber film applicable to ozone removal. Further investigation should be focused on reducing pressure resistance and studying the CNT mechanism for removing ozone.

  11. A new irradiated quartz for beta source calibration

    DEFF Research Database (Denmark)

    Hansen, Vicki; Murray, Andrew Sean; Buylaert, Jan-Pieter

    2015-01-01

    laboratories have used the various different batches of Risø calibration quartz for the calibration of beta and X-ray sources, but these have been largely undescribed. Here we describe in detail the preparation and luminescence characteristics of a new quartz standard, based on a North Sea beach sand collected...

  12. New approaches in quartz-enhanced photoacoustic sensing

    Science.gov (United States)

    Sampaolo, Angelo; Patimisco, Pietro; Pennetta, Riccardo; Scamarcio, Gaetano; Tittel, Frank K.; Spagnolo, Vincenzo

    2015-01-01

    We report on the design and realization of custom quartz tuning forks with different geometries and sizes aimed to improve the photoacoustic effect in quartz-enhanced photoacoustic (QEPAS) sensor systems. A detailed analysis of the piezoelectric properties in terms of resonance frequencies, quality factors, gas damping was performed.

  13. Structural analysis and surface morphology of quartz | Jamo ...

    African Journals Online (AJOL)

    -ray diffraction (XRD) and scanning electron microscopy (SEM) were used to observe the surface and internal structure of the quartz. The results among other things revealed that the quartz consist of mainly silica (SiO2), with crystalline ...

  14. Comparative study of halogen- and hydrogen-bond interactions between benzene derivatives and dimethyl sulfoxide.

    Science.gov (United States)

    Zheng, Yan-Zhen; Deng, Geng; Zhou, Yu; Sun, Hai-Yuan; Yu, Zhi-Wu

    2015-08-24

    The halogen bond, similar to the hydrogen bond, is an important noncovalent interaction and plays important roles in diverse chemistry-related fields. Herein, bromine- and iodine-based halogen-bonding interactions between two benzene derivatives (C6 F5 Br and C6 F5 I) and dimethyl sulfoxide (DMSO) are investigated by using IR and NMR spectroscopy and ab initio calculations. The results are compared with those of interactions between C6 F5 Cl/C6 F5 H and DMSO. First, the interaction energy of the hydrogen bond is stronger than those of bromine- and chlorine-based halogen bonds, but weaker than iodine-based halogen bond. Second, attractive energies depend on 1/r(n) , in which n is between three and four for both hydrogen and halogen bonds, whereas all repulsive energies are found to depend on 1/r(8.5) . Third, the directionality of halogen bonds is greater than that of the hydrogen bond. The bromine- and iodine-based halogen bonds are strict in this regard and the chlorine-based halogen bond only slightly deviates from 180°. The directional order is iodine-based halogen bond>bromine-based halogen bond>chlorine-based halogen bond>hydrogen bond. Fourth, upon the formation of hydrogen and halogen bonds, charge transfers from DMSO to the hydrogen- and halogen-bond donors. The CH3 group contributes positively to stabilization of the complexes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. The hydrolytic weakening effect in quartz

    Science.gov (United States)

    Hobbs, B. E.

    Experiments on single crystals of quartz have shown that an order of magnitude increase in the fugacity of H2O is associated with about an order of magnitude decrease in the flow strength at a given temperature and pressure. The classical interpretation of this hydrolytic weakening effect is that H2O groups are incorporated into the quartz structure as Si-OH.HO-Si groups. Then, in order to move a dislocation, OH.HO bonds need to be broken rather than Si-O bonds. The rate controlling process is envisaged as the diffusion of the (OH)-defect to or with the dislocation core. This paper discusses the manner in which charged hydrogen- or hydroxyl-defects alter the concentrations of other charged defects such as kinks and jogs on dislocations or vacancies and interstitials and so have an influence on the deformation rate. As an example, an increase in the concentration of negatively charged (OH)-defects leads to an increase in the concentration of positively charged kinks on dislocations thus increasing the strain rate. Other deformation mechanisms involving diffusion of oxygen and silicon with or without climb of dislocations or motion of kinks are also investigated and are shown to be capable of explaining the observed effect. This defect chemistry interpretation is consistent with the classical interpretation but also proposes other mechanisms where the direct diffusion of (OH)-defects plays no role in the process. As an example, an increase in the concentration of negatively charged (OH)-defects increases both the concentration of positively charged jogs and positively charged silicon interstitials in such a way as to explain the magnitude of the hydrolytic weakening effect. As such, the rate controlling process is the climb of dislocations controlled by silicon diffusion, not the diffusion of (OH)-defects. Although several different mechanisms are capable of explaining the hydrolytic weakening effect, many have different dependencies upon the activity of oxygen so

  16. Halogens and the Chemistry of the Free Troposphere

    Science.gov (United States)

    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.

  17. Halogen light versus LED for bracket bonding: shear bond strength.

    Science.gov (United States)

    Carvalho, Paulo Eduardo Guedes; dos Santos, Valdemir Muzulon; Isber, Hassan; Cotrim-Ferreira, Flávio Augusto

    2013-02-15

    LED light-curing devices seek to provide a cold light activator which allows protocols of material polymerization with shorter duration. The present study aimed to evaluate the shear bond strength of bracket bonding using three types of light-curing devices: One with halogen light (Optilight Plus - Gnatus) and two with LEDs (Optilight CL - Gnatus and Elipar Freelight - 3M/ESPE). Comparing the results by analysis of variance, the Gnatus LED device showed an inferior statistical behavior in relation to other light sources, when activated by a short time. But, when it was used for 40 seconds, the polymerization results were consistent with the other evaluated sources. The device with the best average performance was the halogen light, followed by the 3M/ESPE LED. It was concluded that the LEDs may be indicated in orthodontic practice, as long as a protocol is used for the application of light with the activation time of 40 seconds.

  18. Biocidal properties of metal oxide nanoparticles and their halogen adducts

    Science.gov (United States)

    Haggstrom, Johanna A.; Klabunde, Kenneth J.; Marchin, George L.

    2010-03-01

    Nanosized metal oxide halogen adducts possess high surface reactivities due to their unique surface morphologies. These adducts have been used as reactive materials against vegetative cells, such as Escherichia coli as well as bacterial endospores, including Bacillus subtilis and Bacillus anthracis (Δ Sterne strain). Here we report high biocidal activities against gram-positive bacteria, gram-negative bacteria, and endospores. The procedure consists of a membrane method. Transmission electron micrographs are used to compare nanoparticle-treated and untreated cells and spores. It is proposed that the abrasive character of the particles, the oxidative power of the halogens/interhalogens, and the electrostatic attraction between the metal oxides and the biological material are responsible for high biocidal activities. While some activity was demonstrated, bacterial endospores were more resistant to nanoparticle treatment than the vegetative bacteria.

  19. Total organic halogen (TOX) in human urine: A halogen-specific method for human exposure studies.

    Science.gov (United States)

    Y Kimura, Susana; Zheng, Weiwei; N Hipp, Taylor; M Allen, Joshua; D Richardson, Susan

    2017-08-01

    Disinfection by-products (DBPs) are a complex mixture of compounds unintentionally formed as a result of disinfection processes used to treat drinking water. Effects of long-term exposure to DBPs are mostly unknown and were the subject of recent epidemiological studies. However, most bioanalytical methods focus on a select few DBPs. In this study, a new comprehensive bioanalytical method has been developed that can quantify mixtures of organic halogenated compounds, including DBPs, in human urine as total organic chlorine (TOCl), total organic bromine (TOBr), and total organic iodine (TOI). The optimized method consists of urine dilution, adsorption to activated carbon, pyrolysis of activated carbon, absorption of gases in an aqueous solution, and halide analysis with ion chromatography and inductively coupled plasma-mass spectrometry. Spike recoveries for TOCl, TOBr, and TOI measurements ranged between 78% and 99%. Average TOCl, TOBr, and TOI concentrations in five urine samples from volunteers who consumed tap water were 1850, 82, and 21.0μg/L as X-, respectively. Volunteers who consumed spring water (control) had TOCl, TOBr, and TOI average concentrations in urine of 1090, 88, and 10.3μg/L as X-, respectively. TOCl and TOI in the urine samples from tap water consumers were higher than the control. However, TOBr was slightly lower in tap water urine samples compared to mineral water urine samples, indicating other sources of environmental exposure other than drinking water. A larger sample population that consumes tap water from different cities and mineral water is needed to determine TOCl, TOBr, and TOI exposure from drinking water. Copyright © 2017. Published by Elsevier B.V.

  20. Halogen acid electrolysis in solid polymer electrolyte cells

    Energy Technology Data Exchange (ETDEWEB)

    Balko, E.N.; McElroy, J.F.; LaConti, A.B.

    1981-01-01

    The use of solid polymer electrolyte systems has been extended to the electrolysis of aqueous HCl and HBr. The reduced internal losses in these cells permits the production of hydrogen and the halogen at an energy consumption considerably less than that reported previously. Data are presented for the operational characteristics of the solid polymer electrolyte acid electrolysers operating over a range of current densities, pressures, feedstock compositions, and temperatures.

  1. Quantum Mechanical Studies of Charge Assisted Hydrogen and Halogen Bonds

    OpenAIRE

    Nepal, Binod

    2016-01-01

    This dissertation is mainly focused on charge assisted noncovalent interactions specially hydrogen and halogen bonds. Generally, noncovalent interactions are only weak forces of interaction but an introduction of suitable charge on binding units increases the strength of the noncovalent bonds by a several orders of magnitude. These charge assisted noncovalent interactions have wide ranges of applications from crystal engineering to drug design. Not only that, nature accomplishes a number of i...

  2. Gamma irradiation of quartz from Pannier basin, South America

    Energy Technology Data Exchange (ETDEWEB)

    Enokihara, Cyro T.; Rela, Paulo R. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)], E-mail: cteiti@ipen.br, E-mail: prela@ipen.br; Guttler, Rainer A.S. [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Geociencias

    2007-07-01

    The use of gamma radiation to induce or enhance color centers in gemstones is a widespread technique and applied worldwide on a industrial scale since at least 1970. The presence of defects and defect structures in quartz from a border region of southern Brazil and Uruguay are the reason for the creation of a new color variety of quartz called 'Prasiolite' in the gem trade. This quartz has a pleasant green color produced by gamma irradiation. The procedures of irradiation at IPEN show that the activation of these color producing defects can be monitored by detailed chemical and spectroscopic analysis. For the first time UV-VIS-NIR spectra of this new color variety of quartz are shown. They revealed special features of these quartz crystals coming from basaltic terranes of the Parana Basin. Contrary to most specimen of quartz from other parts of Brazil, they have such a high water and OH content that they resemble more chalcedony or opal, but not highly crystalline quartz specimens. The cause of the color are broken bonds of Si-OH defining the so-called dangling bonds. (author)

  3. Force Field Model of Periodic Trends in Biomolecular Halogen Bonds.

    Science.gov (United States)

    Scholfield, Matthew R; Ford, Melissa Coates; Vander Zanden, Crystal M; Billman, M Marie; Ho, P Shing; Rappé, Anthony K

    2015-07-23

    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 an accurate computational tool that can be applied, for example, for the design of new therapeutic compounds against clinically important targets and new biomolecular-based materials.

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

    Science.gov (United States)

    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.

  5. The origin of Reactive Halogen Species in the Polar Troposphere

    Science.gov (United States)

    Platt, U.

    2011-12-01

    Reactive halogen species (RHS) play an important role in various parts of the troposphere e.g. in coastal regions, over salt pans, in volcanic plumes and in polar regions. Despite much progress in recent years the origin and some of the chemical interactions of reactive halogen species (RHS) in the polar troposphere are still not quantitatively understood. Among the many unanswered questions are: Why is there an Antarctic - Arctic asymmetry of reactive iodine species? What drives the autocatalytic bromine release from sea salt (the bromine explosion)? Why does the bromine explosion almost exclusively occur during springtime? What is the effect of coupling cycles involving different halogens? What is the vertical extent of the layer containing RHS? The presentation gives an overview of new ground-based field observations illustrating the above questions and providing answers to some of them. Also, recent advances in satellite observations of tropospheric BrO are discussed. In particular new insight is being gained from the synergistic use of satellite observations and ground based measurements of BrO. Also the question of a NOx - driven (rather than HOx - driven) bromine explosion is discussed.

  6. Halogenated high {Tc} superconductors and method of preparation

    Energy Technology Data Exchange (ETDEWEB)

    Radousky, H.B.; Glass, R.S.; Fluss, M.J.

    1990-11-14

    Disclosed is a method for producing a superconductor of the R-Ba-Cu-O system which comprises of selecting an insulating material of the formula RBa{sub x}Cu{sub y}O{sub z} where R is selected from the group consisting of Y, La, Pr, Nd, Sm, Eu, Gd, Ho, Er, Tm, and Lu, and where x ranges from about 1.7 to about 2.3, y ranges from about 2.7 to about 3.3 and z ranges from about 5.0 to about 6.99, and halogenating said material with a halogen selected from the group consisting of chlorine, bromine, iodine, and mixtures thereof, while maintaining said material at a temperature ranging from about 160 to about 440{degrees}C, for a period of time sufficient to cause incorporation of said halogen into said material. Also, disclosed are the materials produced by the method and articles of manufacture incorporating said materials as electronic circuitry components.

  7. Pop-like halogenated natural products in antarctic sponges

    Energy Technology Data Exchange (ETDEWEB)

    Vetter, W. [Hohenheim Univ., Stuttgart (Germany); Janussen, D. [Senckenbergische Naturforschende Gesellschaft (Natur-Museum und Forschungs-Institut), Frankfurt am Main (Germany)

    2004-09-15

    Persistent organic pollutants (POPs) are major contaminants of our days. This group of chemicals comprises a number of halogenated compounds used as pesticides (DDT, lindane, chlordane, toxaphene and others) as well as industrial chemicals (PCBs, PCNs, CPs, and brominated flameretardants). Although the list of known POPs including isomers and metabolites is long, there are frequent reports on the detection of unknown organohalogen compounds in the literature. Recent work demonstrated that some of these unknown peaks in gas chromatograms originate from halogenated natural products (HNPs). Sometimes, HNPs have been found at remarkably high concentrations in marine birds, mammals and fish. Due to the structural similarities with anthropogenic POPs, these substances may possess a potential risk for wildlife and man. HNPs are known to be produced with an overwhelming variety by marine organisms such as algae, sponges, microorganisms and others. In this study we have screened different species of Antarctic sponges on the occurrence of halogenated compounds which may be of environmental concern. Thus, we were only interested in lipophilic and persistent HNPs. Following that, we applied our standard sample clean-up procedure for the analysis of nonpolar POPs. Two steps on deactivated and activated silica yielded compounds with similar polarity as PCBs, chloropesticides and brominated analogues in the sample extracts. Additionally, all samples were treated with concentrated sulphuric acid in order to eliminate labile (non-presistent) HNPs.

  8. Relationship between amorphous silica and precious metal in quartz veins

    Science.gov (United States)

    Harrichhausen, N.; Rowe, C. D.; Board, W. S.; Greig, C. J.

    2015-12-01

    Super-saturation of silica is common in fault fluids, due to pressure changes associated with fracture, fault slip, or temperature gradients in hydrothermal systems. These mechanisms lead to precipitation of amorphous silica, which will recrystallize to quartz under typical geologic conditions. These conditions may also promote the saturation of precious metals, such as gold, and the precipitation of nanoparticles. Previous experiments show that charged nanoparticles of gold can attach to the surface of amorphous silica nanoparticles. Thus, gold and silica may be transported as a colloid influencing mineralization textures during amorphous silica recrystallization to quartz. This may enrich quartz vein hosted gold deposits, but the instability of hydrous silica during subsequent deformation means that the microstructural record of precipitation of gold is lost. We investigate a recent, shallow auriferous hydrothermal system at Dixie Valley, Nevada to reveal the nano- to micro-scale relationships between gold and silica in fresh veins. Fault slip surfaces at Dixie Valley exhibit layers of amorphous silica with partial recrystallization to quartz. Transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) show amorphous silica can contain a few wt. % gold while areas recrystallized to quartz are barren. At the Jurassic Brucejack deposit in British Columbia, Canada we observe the cryptocrystalline quartz textures that may indicate recrystallization from amorphous silica within quartz-carbonate veins containing high grade gold. Comb quartz within syntaxial veins, vugs, and coating breccia clasts indicate structural dilation. Vein geometry is investigated to determine relative importance of fault slip in creating dilational sites. By comparing quartz-carbonate veins from the Dixie Valley to Brucejack, we can determine whether amorphous silica formed in different environments show similar potential to affect precious metal mineralization.

  9. Proton induced defect formation in quartz glasses

    Energy Technology Data Exchange (ETDEWEB)

    Gulamova, R.R.; Gasanov, E.M.; Alimov, R. [Uzbekian AS, Tashkent (Uzbekistan). Inst. of Nuclear Physics

    1996-12-31

    The contributions of ionization energy losses and elastic collisions to radiation induced defect formation along the proton track were considered in quartz glasses irradiated by protons with different energies. It is shown that on a larger part of the proton track the color and luminescence center formation by means of recharging of the native defects is due to the ionization energy losses. Generation of structural defects like displaced atoms and their vacancies by elastic collisions with protons and recoil atoms dominates for proton energies < 5 MeV. At proton energies > 10 MeV the color and luminescence center formation due to ionization energy losses prevails, and generation of the alumina-alkaline centers, causing an increase of the optical absorption at 550 nm and the thermoluminescence peak at 360 C and a band at 460 nm, occurs. At the proton energies E{sub p} < 10 MeV generation of the displaced atoms and their vacancies by elastic collisions dominates, leading to an increase of the E{prime}-centers and to the destruction and transformation of the alumina-alkaline centers.

  10. The recrystallized grain size piezometer for quartz

    Science.gov (United States)

    Stipp, Michael; Tullis, Jan

    2003-11-01

    In order to determine a recrystallized grain size piezometer for quartz, we deformed Black Hills quartzite in a molten salt assembly in a Griggs apparatus at 1.5 GPa, 800 to 1100°C, and strain rates between 2*10-7 and 2*10-4 s-1, conditions which include dislocation creep regimes 2 and 3 of Hirth and Tullis [1992]. Flow stresses ranged from 34 +/- 16 to 268 +/- 38 MPa with corresponding recrystallized grain sizes from 46 +/- 15 to 3.2 +/- 0.7 μm. The data are well fit by a single piezometer relation, D = 103.56+/- 0.27 * σ-1.26 +/- 0.13, with no change in slope at the regime 2-3 transition and no effect of temperature or α/β stability field. Another experimental piezometer relation for regime 1 of Hirth and Tullis [1992] differs in slope, suggesting that different recrystallization mechanisms require different piezometer calibrations.

  11. Intracavity quartz-enhanced photoacoustic sensor

    Energy Technology Data Exchange (ETDEWEB)

    Borri, S., E-mail: simone.borri@ino.it; Galli, I.; Mazzotti, D.; Giusfredi, G.; De Natale, P. [CNR-INO UOS Sesto Fiorentino and LENS, via Carrara 1, 50019 Sesto Fiorentino FI (Italy); Patimisco, P.; Scamarcio, G.; Spagnolo, V. [CNR-IFN UOS Bari and Dipartimento Interateneo di Fisica, Università degli Studi di Bari e Politecnico di Bari, via Amendola 173, 70126 Bari BA (Italy); Akikusa, N. [Development Bureau Laser Device R and D Group, Hamamatsu Photonics KK, Shizuoka 434-8601 (Japan); Yamanishi, M. [Central Research Laboratories, Hamamatsu Photonics KK, Shizuoka 434-8601 (Japan)

    2014-03-03

    We report on a spectroscopic technique named intracavity quartz-enhanced photoacoustic spectroscopy (I-QEPAS) employed for sensitive trace-gas detection in the mid-infrared spectral region. It is based on a combination of QEPAS with a buildup optical cavity. The sensor includes a distributed feedback quantum cascade laser emitting at 4.33 μm. We achieved a laser optical power buildup factor of ∼500, which corresponds to an intracavity laser power of ∼0.75 W. CO{sub 2} has been selected as the target molecule for the I-QEPAS demonstration. We achieved a detection sensitivity of 300 parts per trillion for 4 s integration time, corresponding to a noise equivalent absorption coefficient of 1.4 × 10{sup −8} cm{sup −1} and a normalized noise-equivalent absorption of 3.2 × 10{sup −10} W cm{sup −1} Hz{sup −1/2}.

  12. The role of vanadium bromoperoxidase in the biosynthesis of halogenated marine natural products.

    Science.gov (United States)

    Butler, Alison; Carter-Franklin, Jayme N

    2004-02-01

    Halogenated natural products are frequently reported metabolites in marine seaweeds. These compounds span a range from halogenated indoles, terpenes, acetogenins, phenols, etc., to volatile halogenated hydrocarbons that are produced on a very large scale. In many cases these halogenated marine metabolites possess biological activities of pharmacological interest. Given the abundance of halogenated marine natural products found in marine organisms and their potentially important biological activities, the biogenesis of these compounds has intrigued marine natural product chemists for decades. Over a quarter of a century ago, a possible role for haloperoxidase enzymes was first suggested in the biogenesis of certain halogenated marine natural products, although this was long before haloperoxidases were discovered in marine organisms. Since that time, FeHeme- and Vanadium-haloperoxidases (V-HPO) have been discovered in many marine organisms. The structure and catalytic activity of vanadium haloperoxidases is reviewed herein, including the importance of V-HPO-catalyzed bromination and cyclization of terpene substrates.

  13. Anisotropic annealing of fission fragments in synthetic quartz

    CERN Document Server

    Sawamura, T; Narita, M

    1999-01-01

    A study on the thermal annealing behavior of fission fragments in synthetic quartz crystals was performed for application of synthetic quartz to track detectors under high temperature circumstances: x-, y-, and z-cut quartz plates were exposed to fission fragments from sup 2 sup 5 sup 2 Cf and were annealed up to 750 deg. C. It was found that track retention depended on the crystallographic structure: the annealing temperature, where the number of etched tracks was sharply reduced, was 550 deg. C for the x- and y-cut plates and 750 deg. C for z-cut plates. Track sizes decrease and disperse with reductions in the track retention.

  14. Retention of xenon in quartz and Earth's missing xenon.

    Science.gov (United States)

    Sanloup, Chrystèle; Schmidt, Burkhard C; Chamorro Perez, Eva Maria; Jambon, Albert; Gregoryanz, Eugene; Mezouar, Mohamed

    2005-11-18

    The reactivity of xenon with terrestrial oxides was investigated by in situ synchrotron x-ray diffraction. At high temperature (T > 500 kelvin), some silicon was reduced, and the pressure stability of quartz was expanded, attesting to the substitution of some xenon for silicon. When the quartz was quenched, xenon diffused out and only a few weight percent remained trapped in samples. These results show that xenon can be covalently bonded to oxygen in quartz in the lower continental crust, providing an answer to the missing xenon problem; synthesis paths of rare gas compounds are also opened.

  15. [The role of halogenation in the electro-oxidation of halogenated anilines in acetonitrile as the solvent].

    Science.gov (United States)

    Pusztai, S; Dankházi, T; Farsang, G

    2000-01-01

    The 4-halogeno-, 2,4-dihalogeno- and 2,4,6-trihalogenoanilines were the model substances of the research described. Acetonitrile being one of the most popular aprotic solvent was used. The halogeno monomers were chloro and bromoanilines. The electrodimerised substrate is stabilised by rejecting halogenide ion and protons. The rejected halogenide ions are oxidisable more easier compared to the substrate therefore the halogene formed substitutes both the substrate, and the dimer as well. The protons formed during the oxidation bind by the strong base monomer primary amine. Because of these not only a simple electrodimerisation will take place, but protonised monomers, higher halogenated monomers, and the corresponding dimer molecules are formed in the solution.

  16. The Role of Vanadium Bromoperoxidase in the Biosynthesis of Halogenated Marine Natural Products

    OpenAIRE

    Franklin, Jayme N.

    2003-01-01

    The widespread occurrence of bromine- and chlorine-containing marine natural products has prompted investigations into the biosynthesis of halogenated marine metabolites. Halogenating enzymes, such as haloperoxidases, have long been thought to be involved in the biogenesis of halogenated marine natural products. Vanadium bromoperoxidases (V-BrPO) have been identified and isolated from all major classes of marine algae, and catalyze the two-electron oxidation of bromide by hydrogen peroxide. ...

  17. Theoretical study on O $\\cdots $ Br and O $\\cdots $ Cl halogen ...

    Indian Academy of Sciences (India)

    In this work, theoretical calculations were carried out using B3LYP/6-31++G∗∗, MP2/6-31++G∗∗ and MP2/aug-cc-pVDZ methods on a series of O ⋯ X halogen bonds between CH2O andCH3CHO as halogen bond acceptor with X-Y (X = Cl, Br; Y = CF3, CF2 H, CFH2, CN, CCH, CCCN) as halogen bond donors.

  18. Br and O···Cl halogen bonds in some small model molecular systems

    Indian Academy of Sciences (India)

    Abstract. Halogen bonding interactions of type X···O=C are important in various fields including bio- logical systems. In this work, theoretical calculations were carried out using B3LYP/6-31++G**, MP2/6-. 31++G** and MP2/aug-cc-pVDZ methods on a series of O··· X halogen bonds between CH2O and CH3CHO as halogen ...

  19. Regiodivergent halogenation of vinylogous esters: one-pot, transition-metal-free access to differentiated haloresorcinols.

    Science.gov (United States)

    Chen, Xiaohong; Martinez, Jenny S; Mohr, Justin T

    2015-01-16

    We report an efficient method for the regiodivergent synthesis of halogenated resorcinol derivatives using readily available vinylogous esters and sulfonyl halide halogen donors. Either the 4- or 6-haloresorcinol isomer is accessible from a common precursor. In contrast to conventional oxidants for arene halogenation, mild sulfonyl halides allow broad functional group compatibility. The strategy inherently differentiates the two resorcinol oxygen atoms and enhances the potential for complex molecule synthesis.

  20. Halogenated benzenes, effect on xenobiotic metabolism and the toxicity of other chemicals. [Insecticides, rats

    Energy Technology Data Exchange (ETDEWEB)

    Carlson, G.P.

    1977-01-01

    The insecticide EPN and six halogenated benzenes were administered orally to rats over a period of 14 days. The animals were killed 24 h after the last dose. Graphs are presented to show effects of halogenated benzene on EPN detoxification; liver to body weight ratio; and activities of benzpyrene hydroxylase, azoreductase, UDP glucuronyltransferase, and microsomal cytochrome c reductase. A significant enlargement of the liver was found. The results showed that the halogenated benzenes were capable of altering xenobiotic metabolism. (HLW)

  1. Using a titanium-in-quartz geothermometer for crystallization temperature estimation of the Palaeoproterozoic Suursaari quartz porphyry

    Directory of Open Access Journals (Sweden)

    Kairi Ehrlich

    2012-11-01

    Full Text Available The Suursaari volcanic sequence represents volcanic activity related to Wiborg Batholith rapakivi intrusions in the southern part of the Fennoscandian Shield. The estimated pressure conditions for batholith granitic rocks are 1–5 kbar and crystallization temperatures range from 670 to 890 °C. To describe the temperature regime of the Suursaari volcanic system, a rock sample was taken from the Mäkiinpäällys Mountain outcrop and analysed with laser ablation inductively coupled plasma mass spectrometry. Sample spots were selected from quartz phenocrysts and groundmass. Quartz crystallization temperatures were calculated by the Ti-in-quartz method that takes into account rutile equilibrium and Ti activity in each phase. The calculated crystallization temperatures of the Suursaari quartz porphyry are in the range of 647–738 °C. The results show that the Suursaari quartz porphyry contains two generations of quartz which can be distinguished on the basis of crystallization temperatures: phenocrysts crystallized at higher and groundmass quartz at lower temperature.

  2. Halogens, Barium and Uranium in Mantle Fluid Inclusions

    Science.gov (United States)

    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

  3. Halogenated furanones inhibit quorum sensing through accelerated LuxR turnover

    DEFF Research Database (Denmark)

    Manefield, M.; Rasmussen, Thomas Bovbjerg; Henzter, M.

    2002-01-01

    and fortifying these proteins against proteolytic degradation (Zhu & Winans, 2001). Halogenated furanones produced by the macroallga Delisea pulchra inhibit AHL-dependent gene expression. This study assayed for an in vivo interaction between a tritiated halogenated furanone and the LuxR protein of Vibrio...... fischeri overproduced in Escherichia coli. Whilst a stable interaction between the algal metabolite and the bacterial protein was not found, it was noted by Western analysis that the half-life of the protein is reduced up to 100-fold in the presence of halogenated furanones. This suggests that halogenated...

  4. Structure optimization and simulation analysis of the quartz micromachined gyroscope

    Directory of Open Access Journals (Sweden)

    Xuezhong Wu

    2014-02-01

    Full Text Available Structure optimization and simulation analysis of the quartz micromachined gyroscope are reported in this paper. The relationships between the structure parameters and the frequencies of work mode were analysed by finite element analysis. The structure parameters of the quartz micromachined gyroscope were optimized to reduce the difference between the frequencies of the drive mode and the sense mode. The simulation results were proved by testing the prototype gyroscope, which was fabricated by micro-electromechanical systems (MEMS technology. Therefore, the frequencies of the drive mode and the sense mode can match each other by the structure optimization and simulation analysis of the quartz micromachined gyroscope, which is helpful in the design of the high sensitivity quartz micromachined gyroscope.

  5. Miniature Quartz Crystal Microbalance for Spacecraft and Missile Applications

    National Research Council Canada - National Science Library

    Uy, O

    1999-01-01

    Quartz crystal microbalances (QCMs) have been used for over 20 years as contamination monitors in spacecraft to measure film deposition on sensitive surfaces such as optical mirrors, thermal radiators, and solar arrays...

  6. Degradation of glycine and alanine on irradiated quartz.

    Science.gov (United States)

    Pawlikowski, Maciej; Benko, Aleksandra; Wróbel, Tomasz P

    2013-04-01

    Recent researches suggest participation of minerals in the formation of life under primordial conditions. Among all of the minerals, quartz seems to be one of the most probable to take part in such processes. However, an external source of energy is needed, e.g. electric discharge. A device simulating the proposed conditions was designed and was used to simulate prebiotic conditions. Investigation of processes occurring during the stimulation of quartz with electric discharge was studied by means of Ultraviolet-visible (UV-VIS) spectroscopy, in order to monitor the generation kinetics of free radicals. Additionally, infrared spectroscopy was applied to identify chemical reaction products created in a solution of alanine or glycine, in the presence of quartz treated with electric discharge. Formation of increased amounts of free radicals, compared to experiments performed without quartz and/or amino acid, is reported, along with identification of possible degradation products of alanine. No synthetic reactions were observed.

  7. Petrographic and optical cathodoluminescence study of detrital quartz

    African Journals Online (AJOL)

    Basange Formation had been investigated using integrated optical Cathodoluminescence and Petrographic characteristics approach. Results showed the presence, in abundance, of detrital quartz with characteristic dull red to violet CL colour and ...

  8. Diagenetic quartz and amorphous silica in New Zealand coals

    Energy Technology Data Exchange (ETDEWEB)

    Sykes, R.; Lindqvist, J.K. (Institute of Geological and Nuclear Sciences, Dunedin (New Zealand))

    1993-08-01

    New Zealand coal seams (Late Cretaceous-Miocene, lignite-semi-anthracite) contain numerous and varied occurrences of diagenetic quartz and amorphous silica. Early diagenetic silicifications include: sub-horizontal and laterally extensive, quartz-mineralized bands; micro- and megascopic, euhedral quartz crystals, dispersed or concentrated in layers; and silicified in situ tree stumps. Late diagenetic forms include: sub-horizontal, quartz-mineralized bands, mostly [lt] 1 m in length; and fracture-infillings. The origins of the silica remain uncertain but leached basement rocks and coal measure sediments, and siliceous phytoliths within the coal-forming plants, are possible sources. The silicification of coal seams may have significant implications for exploration, mining and geological studies. 39 refs., 5 figs., 4 plates.

  9. Deposits of gold-quartz formation in the Priamur province

    Directory of Open Access Journals (Sweden)

    В. А. Степанов

    2017-03-01

    Small deposits of near-bottom ore pipe are quite rare. Ore bodies are represented by quartz veins and zones of metasomatites. Gold is mostly free, of fine and super fine grain size. The prevailing trace element is mercury. Attribution of gold-quartz deposits to a certain part of ore pipe can facilitate more precise estimation of their prospects. In its own turn, this will allow to choose more favorable objects for further evaluation.

  10. Influence of quartz particles on wear in vertical roller mills

    DEFF Research Database (Denmark)

    Jensen, Lucas R.D.; Friis, Henrik; Fundal, Erling

    2010-01-01

    statistical planning, a total of 10 tests were arried out with two different limestones and one type of quartz sand. The size distributions were kept constant and only the mixing ratios were varied. It appears from the investigation that mixtures consisting of minerals with different grindabilities result...... in an increased concentration of abrasive particles in the grinding bed ðR2 > 0:99Þ. The present study shows that the quartz concentration in the grinding bed is determining the wear rate....

  11. Improved Tuning Fork for Terahertz Quartz-Enhanced Photoacoustic Spectroscopy

    OpenAIRE

    Sampaolo, Angelo; Patimisco, Pietro; Giglio, Marilena; Vitiello, Miriam S.; Beere, Harvey E.; Ritchie, David A.; Scamarcio, Gaetano; Tittel, Frank K.; Spagnolo, Vincenzo

    2016-01-01

    We report on a quartz-enhanced photoacoustic (QEPAS) sensor for methanol (CH3OH) detection employing a novel quartz tuning fork (QTF), specifically designed to enhance the QEPAS sensing performance in the terahertz (THz) spectral range. A discussion of the QTF properties in terms of resonance frequency, quality factor and acousto-electric transduction efficiency as a function of prong sizes and spacing between the QTF prongs is presented. The QTF was employed in a QEPAS sensor system using a ...

  12. Basic characteristics of quartz crystal sensor with interdigitated electrodes

    Directory of Open Access Journals (Sweden)

    Hiroshi Muramatsu

    2016-03-01

    Full Text Available This paper describes basic characteristics of the quartz crystal sensor with interdigitated electrodes (IDE quartz crystal sensor which is for simultaneous monitoring of mass, viscosity, conductivity and dielectric changes of liquids or thin films. As the IDE quartz crystal sensor has three terminals for a pair of IDEs on the one side and a counter electrode on the other side, the resonance properties have been analyzed using the electrical equivalent circuit models and measured experimentally for all connecting types of electrode pairs. The IDE quartz crystal has shown clear resonance curves for calculating the resonance frequency and resonance resistance values as well as normal quartz crystal in the air and in contact with liquid. Small shifts in the resonance frequency and resonance resistance depending on the connecting types have been obtained and analyzed using the equivalent circuit models. We have found the integrated quartz crystal and IDE sensors could be monitored simultaneously by only one impedance analyzer. Finally, two types of measuring systems have been demonstrated for continuous measuring methods.

  13. Interaction Between Graphene Oxide Nanoparticles and Quartz Sand.

    Science.gov (United States)

    Sotirelis, Nikolaos P; Chrysikopoulos, Constantinos V

    2015-11-17

    In this study, the influence of pH, ionic strength (IS), and temperature on graphene oxide (GO) nanoparticles attachment onto quartz sand were investigated. Batch experiments were conducted at three controlled temperatures (4, 12, and 25 °C) in solutions with different pH values (pH 4, 7, and 10), and ionic strengths (IS = 1.4, 6.4, and 21.4 mM), under static and dynamic conditions. The surface properties of GO nanoparticles and quartz sand were evaluated by electrophoretic mobility measurements. Derjaguin-Landau-Verwey-Overbeek (DLVO) potential energy profiles were constructed for the experimental conditions, using measured zeta potentials. The experimental results showed that GO nanoparticles were very stable under the experimental conditions. Both temperature and pH did not play a significant role in the attachment of GO nanoparticles onto quartz sand. In contrast, IS was shown to influence attachment. The attachment of GO particles onto quartz sand increased significantly with increasing IS. The experimental data were fitted nicely with a Freundlich isotherm, and the attachment kinetics were satisfactorily described with a pseudo-second-order model, which implies that the quartz sand exhibited substantial surface heterogeneity and that GO retention was governed by chemisorption. Furthermore, thermodynamic analysis revealed that the attachment process was nonspontaneous and endothermic, which may be associated with structural changes of the sand surfaces due to chemisorption. Therefore, secondary minimum interaction may not be the dominant mechanism for GO attachment onto the quartz sand under the experimental conditions.

  14. How do halogen bonds (S-O⋯I, N-O⋯I and C-O⋯I) and halogen-halogen contacts (C-I⋯I-C, C-F⋯F-C) subsist in crystal structures? A quantum chemical insight.

    Science.gov (United States)

    Pandiyan, B Vijaya; Deepa, P; Kolandaivel, P

    2017-01-01

    Thirteen X-ray crystal structures containing various non-covalent interactions such as halogen bonds, halogen-halogen contacts and hydrogen bonds (I⋯N, I⋯F, I⋯I, F⋯F, I⋯H and F⋯H) were considered and investigated using the DFT-D3 method (B97D/def2-QZVP). The interaction energies were calculated at MO62X/def2-QZVP and MP2/aug-cc-pvDZ level of theories. The higher interaction and dispersion energies (2nd crystal) of -9.58 kcal mol -1 and -7.10 kcal mol -1 observed for 1,4-di-iodotetrafluorobenzene bis [bis (2-phenylethyl) sulfoxide] structure indicates the most stable geometrical arrangement in the crystal packing. The electrostatic potential values calculated for all crystal structures have a positive σ-hole, which aids understanding of the nature of σ-hole bonds. The significance of the existence of halogen bonds in crystal packing environments was authenticated by replacing iodine atoms by bromine and chlorine atoms. Nucleus independent chemical shift analysis reported on the resonance contribution to the interaction energies of halogen bonds and halogen-halogen contacts. Hirshfeld surface analysis and topological analysis (atoms in molecules) were carried out to analyze the occurrence and strength of all non-covalent interactions. These analyses revealed that halogen bond interactions were more dominant than hydrogen bonding interactions in these crystal structures. Graphical Abstract Molecluar structure of 1,4-Di-iodotetrafluorobenzene bis(thianthrene 5-oxide) moelcule and its corresponding molecular electrostatic potential map for the view of σ-hole.

  15. A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy) Applications

    National Research Council Canada - National Science Library

    Tomasz Starecki; Piotr Z Wieczorek

    2017-01-01

    All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS) applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations...

  16. Measurements of halogen oxides in the Western Pacific

    Science.gov (United States)

    Wittrock, Folkard; Walker, Hannah; Heard, Dwayne; Ingham, Trevor; Lampel, Johannes; Horbanski, Martin; Großmann, Katja; Bracher, Astrid; Sentian, Justin; Vrekoussis, Mihalis; Huang, Ru-Jin; Peters, Enno; Schönhardt, Anja; Richter, Andreas; Burrows, John P.

    2013-04-01

    Reactive halogens such as iodine, bromine and their oxides have received growing attention in the past years owing to their strong impact on tropospheric composition. In particular, reactive halogens deplete ozone and alter the HOx and NOx ratios, consequently changing the oxidizing capacity of the troposphere. The halogen oxides iodine monoxide (IO) and bromine monoxide (BrO), generated from the reaction of atomic I and Br with ozone, play a central role in these processes. Iodine atoms may be released by photolysis of precursor substances such as I2 or volatile iodocarbons emitted from the marine biosphere. Inorganic release processes are also being considered, but they are so far uncertain. Bromine precursors include organic as well as inorganic sources. Here we report on measurements of IO and BrO during and related to the SHIVA field campaign, which has been carried out in November 2011 in the Western Pacific around Borneo. Different techniques have been applied in order to detect the trace gases: cavity-enhanced differential optical absorption spectroscopy (CE-DOAS), multi axis (MAX)-DOAS, airborne multi axis (AMAX)-DOAS and laser induced fluorescence (LIF, discussed in detail in Heard et al.). While for BrO no clear signal above the detection limit was found, IO levels up to 2.5 ppt were found in the open Sulu Sea and similar levels up to 2 ppt close to seaweed farms around Semporna, Malaysia. In this area both MAX-DOAS and AMAX-DOAS observations gave indication for the presence of uplifted layers of IO. These results are discussed and interpreted by using complementary observations of the main precursor substances. In addition correlation studies taking into account meteorological and oceanic parameters have been carried out to identify possible source processes. Finally the ground-based IO observations have been compared to satellite observations and a reasonable agreement was found.

  17. Cardioprotection with halogenated gases: how does it occur?

    Science.gov (United States)

    Guerrero-Orriach, Jose Luis; Escalona Belmonte, Juan Jose; Ramirez Fernandez, Alicia; Ramirez Aliaga, Marta; Rubio Navarro, Manuel; Cruz Mañas, Jose

    2017-01-01

    Numerous studies have studied the effect of halogenated agents on the myocardium, highlighting the beneficial cardiac effect of the pharmacological mechanism (preconditioning and postconditioning) when employed before and after ischemia in patients with ischemic heart disease. Anesthetic preconditioning is related to the dose-dependent signal, while the degree of protection is related to the concentration of the administered drug and the duration of the administration itself. Triggers for postconditioning and preconditioning might have numerous pathways in common; mitochondrial protection and a decrease in inflammatory mediators could be the major biochemical elements. Several pathways have been identified, including attenuation of NFκB activation and reduced expression of TNFα, IL-1, intracellular adhesion molecules, eNOS, the hypercontraction reduction that follows reperfusion, and antiapoptotic activating kinases (Akt, ERK1/2). It appears that the preconditioning and postconditioning triggers have numerous similar paths. The key biochemical elements are protection of the mitochondria and reduction in inflammatory mediators, both of which are developed in various ways. We have studied this issue, and have published several articles on cardioprotection with halogenated gases. Our results confirm greater cardioprotection through myocardial preconditioning in patients anesthetized with sevoflurane compared with propofol, with decreasing levels of troponin and N-terminal brain natriuretic peptide prohormone. The difference between our studies and previous studies lies in the use of sedation with sevoflurane in the postoperative period. The results could be related to a prolonged effect, in addition to preconditioning and postconditioning, which could enhance the cardioprotective effect of sevoflurane in the postoperative period. With this review, we aim to clarify the importance of various mechanisms involved in preconditioning and postconditioning with halogenated

  18. Synthesis and deformation of a Ti doped quartz aggregate

    Science.gov (United States)

    Nachlas, William O.; Hirth, Greg; Teyssier, Christian; Whitney, Donna L.; Zimmerman, Mark

    2013-04-01

    A primary advantage of studying mylonites for thermobarometric reconstructions of tectonic events is that it enables direct comparison of P-T estimates with the mechanics of quartz deformation. Quartz is a common phase in crustal mylonites and is a particularly sensitive recorder of metamorphic and rheologic conditions in shear zones, owing to its responsiveness to dynamic recrystallization, involvement in metamorphic reaction, and propensity for dissolution and precipitation. The signature of its trace element chemistry, particularly Ti, can reflect involvement from each of these processes. The concentration of Ti in mylonites is typically heterogeneous at the thin section scale, providing a rich record of the different factors that influence the incorporation of Ti in quartz. Observations of quartz in deformed mylonite and undeformed protolith from an extensional shear zone in the North American Cordillera (Shuswap Complex, Canada) show that an originally uniform Ti distribution was modified during deformation to form zoned crystals in which the core preserves a higher Ti concentration than the rim. The zoned Ti concentration likely records a continuum of deformation conditions during extension-related exhumation, and this presents a challenge in resolving the effect of deformation on the equilibrium solubility of Ti in quartz in natural settings. By conducting deformation experiments on synthetic quartz aggregates with known Ti concentration at a constant, elevated temperature and pressure under high strain conditions, we investigate the influence of progressive dynamic recrystallization on Ti solubility in quartz. This study applies a novel doping technique that enables the synthesis of a large population of quartz crystals with a precisely controlled Ti concentration and distribution. This produces a sample that most closely replicates the protolith of extensional shear zones that typically develop under retrograde conditions. This strategy can be used to

  19. Synthesis and pharmacological evaluation in mice of halogenated cannabidiol derivatives.

    Science.gov (United States)

    Usami, N; Okuda, T; Yoshida, H; Kimura, T; Watanabe, K; Yoshimura, H; Yamamoto, I

    1999-11-01

    Six halogenated derivatives of cannabidiol (CBD, 1) substituted on the aromatic ring at the 3' and/or 5' position, 3'-chloro- (2), 3',5'-dichloro- (3), 3'-bromo- (4), 3',5'-dibromo- (5), 3'-iodo- (6) and 3',5'-diiodo-CBD (7) were synthesized and their pharmacological effects of barbiturate-induced sleep prolongation, anticonvulsant effects and locomotor activity were evaluated by intravenous (i.v.) injection in mice. 2 (10 mg/kg, i.v., 69 +/- 10 min) significantly prolonged pentobarbital-induced sleeping time by 3.1-fold, compared to control (22 +/- 2 min), although other 1 derivatives used did not significantly affect the sleeping time. 2, 4 and 6 (10 mg/kg, i.v.) significantly prolonged hexobarbital-induced sleeping time by 2.0-, 2.0- and 2.3-fold, respectively, compared with control (52 +/- 5 min). On the other hand, 1 and all halogenated derivatives did not significantly prolong barbital-induced sleeping time. The monohalogenated derivatives, 2, 4 and 6 were able to prolong pentobarbital and hexobarbital-induced sleeping time, although the dihalogenated derivatives, 3, 5 and 7 did not exhibit a prolongation of the sleeping time. All halogenated derivatives of 1 except for brominated derivatives (2, 3, 6, 7) tended to prolong tonic seizure latency induced by pentylenetetrazol. 1 and its halogenated derivatives did not exhibit any prolongation of seizure latency induced by picrotoxin or strychnine. Maximal electroshock test demonstrated that 1 and 4 exhibited almost the same potency in their anticonvulsant effects, although other 1 derivatives 2, 3, 5, 6 and 7 did not show significant effect up to a dose of 63 mg/kg, i.v. The ED50 values (mg/kg, i.v.) of 1 and 4 were 38 and 44, respectively. 1 and 4 also showed anticonvulsant effect in minimal and maximal electroshock-threshold tests. 2, 4 and 6 tended to decrease the total distance (horizontal activity) and number of rearings (vertical activity) of mice, whereas 3, 5 and 7 tended to increase the number of

  20. Comparison of shear bond strength of orthodontic brackets bonded with halogen and plasma arc light curing

    Directory of Open Access Journals (Sweden)

    Mohammad Hossein IndianJPsychiatry

    2012-01-01

    Conclusion: Using the plasma arc system is superior to other methods due to reduced curing time. Also, since in using the halogen light system, an increase in curing periods from different angles resulted in a significant increase in shear bond strength; it is advisable to apply the halogen light from different angles.

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

    Science.gov (United States)

    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...

  2. Investigation of non-halogenated solvent mixtures for high throughput fabrication of polymerfullerene solar cells

    NARCIS (Netherlands)

    Schmidt-Hansberg, B.; Sanyal, M.; Grossiord, N.; Galagan, Y.O.; Baunach, M.; Klein, M.F.G.; Colsmann, A.; Scharfer, P.; Lemmer, U.; Dosch, H.; Michels, J.J; Barrena, E.; Schabel, W.

    2012-01-01

    The rapidly increasing power conversion efficiencies of organic solar cells are an important prerequisite towards low cost photovoltaic fabricated in high throughput. In this work we suggest indane as a non-halogenated replacement for the commonly used halogenated solvent o-dichlorobenzene. Indane

  3. Analysis of an unusual hetero-halogen bonded trimer using charge ...

    Indian Academy of Sciences (India)

    Halogen bond; electron density analysis; multipole refinement; intermolecular interaction. 1. Introduction. Hydrogen bonding is among the most widely studied noncovalent interactions in literature.1 3 Close on its heels comes the halogen bonding owing to its strength and directionality.4,5 In this context, the nature of halo-.

  4. Quartz concentration trends in metal and nonmetal mining.

    Science.gov (United States)

    Watts, Winthrop F; Huynh, Tran B; Ramachandran, Gurumurthy

    2012-01-01

    From 1974 through 2010, the Mine Safety and Health Administration (MSHA) collected nearly 147,000 respirable dust samples with a mass of at least 0.1 mg and a minimum of 1% quartz. These samples represent about 50% of all respirable dust compliance samples collected by MSHA. Analysis of these data shows that pockets of high concentrations and overexposure continue to exist. At underground mines, from 2005 to 2010, occupations with >20% of the samples exceeding the permissible exposure limit (PEL) and geometric mean quartz concentrations exceeding the ACGIH threshold limit value of 25 μg/m(3) included mucking, crusher operator, general laborer/utility, and front-end loader operator. During the same period, stone and rock saw operators and bagger and packers working at surface mines and mills also had >20% of the samples exceeding the PEL and geometric mean quartz concentrations >25 μg/m(3). Regardless of mine type or location, slow but steady improvement in exposure levels is seen in jobs involving crushing operations, which are widespread in the mining industry. Crusher operators are more likely to work in an enclosed area where it is easier to apply dust controls and air conditioning. A downward trend is also observed for vehicle equipment operators who drive load-haul-dumps, front-end loaders, trucks, and similar equipment. Crusher operators and vehicle equipment operators represent occupational categories that are widely sampled by MSHA inspectors. A small but statistically significant reduction in the overall mean respirable quartz dust and quartz concentrations from 1993 to 2010 was observed in most commodity groups. Variability from year to year and between commodities is high. Reduction in respirable quartz dust concentration does not necessarily correspond to a reduction in quartz concentration within the same commodity group. These trends are consistent with those reported in previous studies.

  5. Luminescent, optical and color properties of natural rose quartz

    Energy Technology Data Exchange (ETDEWEB)

    Kibar, R. [Department of Physics, Science Faculty, Ege University, 35100 Bornova-Izmir (Turkey); Garcia-Guinea, J. [Museo Nacional de Ciencias Naturales, CSIC, Jose Gutierrez Abascal 2, Madrid 28006 (Spain); Cetin, A.; Selvi, S. [Department of Physics, Science Faculty, Ege University, 35100 Bornova-Izmir (Turkey); Karal, T. [Institute of Nuclear Science, Ege University, 35100 Bornova-Izmir (Turkey); Can, N. [Department of Physics, Faculty of Arts and Sciences, Celal Bayar University, 45140 Muradiye-Manisa (Turkey)], E-mail: cannurdogan@yahoo.com

    2007-11-15

    Rose quartz is an interesting mineral with numerous impurities that have been studied by scanning electron microscopy (SEM), X-ray fluorescence (XRF), X-ray diffraction (XRD), cathodoluminescence (CL), ion beam luminescence (IBL), radioluminescence (RL), thermoluminescence (TL) and optical absorption (OA). After HF etching, rose quartz from Oliva de Plasencia (Caceres, Spain) shows under SEM the presence of other silicate phases such as dumortierite [Al{sub 6.5-7}(BO{sub 3})(SiO{sub 4}){sub 3}(O,OH){sub 3}]. The OA spectrum of rose quartz suggests that these inclusions are the cause of coloration of rose quartz. The luminescence (CL, IBL, RL, TL) spectra behavior, at both room temperature and lower, confirms that the {approx}340nm emission could be associated with Si-O strain structures, including non-bridging oxygen or silicon vacancy-hole centers; the observed {approx}400nm emission could be associated with recombination of a hole trapped adjacent to a substitutional, charge-compensated aluminum alkali ion center; the {approx}500nm emission could be associated with substitutional Al{sup 3+} and the {approx}700nm peak could be associated with Fe{sup 3+} point defects in Si{sup 4+} sites. These results suggest that, while defect properties of rose quartz are not greatly dissimilar to those of purer forms of quartz and silica, further research seems necessary to determine criteria for the evolution of the newly-formed self-organized microstructures in the rose quartz lattice under irradiation.

  6. Characterization of impurities present on Tihimatine (Hoggar) quartz, Algeria

    Science.gov (United States)

    Anas Boussaa, S.; Kheloufi, A.; Boutarek Zaourar, N.

    2017-11-01

    Many of today's advanced materials depend on quartz as a raw material. Quartz usually contains abundant inclusions, both solid and liquid, and due to the number of these inclusions and their small size, complete separation is most difficult. Typical properties of raw quartz that must be characterized are: Size and Chemical composition of inclusions, their spatial distribution, localization of isomorphic substitutional elements (e.g. Al, Fe). The aim of this study has been to test experimental methods for investigating some inclusions (impurities) present in the Tihimatine quartz from El Hoggar region deposits (southern Algeria) using X Ray Fluorescence, scanning electron microscopy, optical Microscopy with reflected and transmitted lights, infra-red spectrometer, Raman spectrometer. Despite the high concentration of SiO2 in studied quartz reaching 98%, several harmful inclusions were found and identified as hematite, anatase, muscovite, graphite, it contains: Fe, Ti, Al, K, Ca. Some fluid inclusions were found. We detect the presence of carbon dioxide and water using raman spectroscopy. The repartition of solid impurities is aleatory and not homogeneous with maximum size of 10 μm. Concerning the fluid impurities, their diameter vary between 5 and 20 μm and their repartition is aleatory.

  7. Novel Halogenated Pyrazine-Based Chalcones as Potential Antimicrobial Drugs.

    Science.gov (United States)

    Kucerova-Chlupacova, Marta; Vyskovska-Tyllova, Veronika; Richterova-Finkova, Lenka; Kunes, Jiri; Buchta, Vladimir; Vejsova, Marcela; Paterova, Pavla; Semelkova, Lucia; Jandourek, Ondrej; Opletalova, Veronika

    2016-10-27

    Chalcones, i.e., compounds with the chemical pattern of 1,3-diphenylprop-2-en-1-ones, exert a wide range of bio-activities, e.g., antioxidant, anti-inflammatory, anticancer, anti-infective etc. Our research group has been focused on pyrazine analogues of chalcones; several series have been synthesized and tested in vitro on antifungal and antimycobacterial activity. The highest potency was exhibited by derivatives with electron withdrawing groups (EWG) in positions 2 and 4 of the ring B. As halogens also have electron withdrawing properties, novel halogenated derivatives were prepared by Claisen-Schmidt condensation. All compounds were submitted for evaluation of their antifungal and antibacterial activity, including their antimycobacterial effect. In the antifungal assay against eight strains of selected fungi, growth inhibition of Candida glabrata and Trichophyton interdigitale (formerly T. mentagrophytes) was shown by non-alkylated derivatives with 2-bromo or 2-chloro substitution. In the panel of selected bacteria, 2-chloro derivatives showed the highest inhibitory effect on Staphylococcus sp. In addition, all products were also screened for their antimycobacterial activity against Mycobacterium tuberculosis H37RV My 331/88, M. kansasii My 235/80, M. avium 152/80 and M. smegmatis CCM 4622. Some of the examined compounds, inhibited growth of M. kansasii and M. smegmatis with minimum inhibitory concentrations (MICs) comparable with those of isoniazid.

  8. Novel Halogenated Pyrazine-Based Chalcones as Potential Antimicrobial Drugs

    Directory of Open Access Journals (Sweden)

    Marta Kucerova-Chlupacova

    2016-10-01

    Full Text Available Chalcones, i.e., compounds with the chemical pattern of 1,3-diphenylprop-2-en-1-ones, exert a wide range of bio-activities, e.g., antioxidant, anti-inflammatory, anticancer, anti-infective etc. Our research group has been focused on pyrazine analogues of chalcones; several series have been synthesized and tested in vitro on antifungal and antimycobacterial activity. The highest potency was exhibited by derivatives with electron withdrawing groups (EWG in positions 2 and 4 of the ring B. As halogens also have electron withdrawing properties, novel halogenated derivatives were prepared by Claisen-Schmidt condensation. All compounds were submitted for evaluation of their antifungal and antibacterial activity, including their antimycobacterial effect. In the antifungal assay against eight strains of selected fungi, growth inhibition of Candida glabrata and Trichophyton interdigitale (formerly T. mentagrophytes was shown by non-alkylated derivatives with 2-bromo or 2-chloro substitution. In the panel of selected bacteria, 2-chloro derivatives showed the highest inhibitory effect on Staphylococcus sp. In addition, all products were also screened for their antimycobacterial activity against Mycobacterium tuberculosis H37RV My 331/88, M. kansasii My 235/80, M. avium 152/80 and M. smegmatis CCM 4622. Some of the examined compounds, inhibited growth of M. kansasii and M. smegmatis with minimum inhibitory concentrations (MICs comparable with those of isoniazid.

  9. Fluid mixing and recycling during Pyrenean thrusting: evidence from fluid inclusion halogen ratios

    Science.gov (United States)

    McCaig, A. M.; Tritlla, J.; Banks, D. A.

    2000-10-01

    Syntectonic fluids have been sampled through fluid inclusion microthermometry and crush-leach analyses (cations and halogens) from a 50 km N-S transect through the central-southern Pyrenees. The fluid inclusions are contained in syntectonic quartz veins in Triassic redbeds, Cretaceous carbonates and Hercynian basement rocks, with some calcite and dolomite data from limestones and evaporites in more external parts of the belt. The main datasets come from (1) Alpine shear zones cutting the Néouvielle granodiorite in the Hercynian Axial Zone at the north end of the transect; (2) An imbricate zone beneath the Alpine Gavarnie Thrust at the Pic de Port Vieux; (3) Several localities in the footwall and hangingwall of the Gavarnie Thrust on the southern margin of the Axial Zone. The inclusion fluids generally decrease in salinity from 27-35% at the northern end of the transect to 7-22% on the southern margin of the Axial Zone. The majority of the inclusions have Cl/Br ratios lower than seawater and are interpreted as relict fluids after seawater evaporation and halite precipitation in the upper Trias. This interpretation is supported by Cl-Br-Na systematics, which are consistent with a change from halite to halite + sylvite precipitation with progressive evaporation. Fluids in the basement shear zones are interpreted to have essentially the same evaporitic origin as those still contained in sedimentary formations, although it is possible that final concentration of brines in the Néouvielle Massif involved retrograde hydration reactions with removal of water by precipitation of hydrous minerals. The fluids are also very similar in salinity and halogen chemistry to those found in veins associated with Mesozoic Pb-Zn-F deposits which predate the thrusting. The lower salinities seen at the southern margin of the Axial Zone are interpreted to reflect mixing of the brines with a higher level fluid (connate or meteoric water) circulating within the Mesozoic carbonates of the

  10. Equivalent dose determination using a quartz isothermal TL signal

    DEFF Research Database (Denmark)

    Vandenberghe, D.A.G.; Jain, Mayank; Murray, A.S.

    2009-01-01

    We report on further developments in the use of an isothermal thermoluminescence (ITL) signal for determining the equivalent dose (De) in unheated sedimentary quartz. In order to minimise sensitivity change during the first measurement, the ITL signal is measured at 270 °C following a preheat...... agreement with the expected burial dose in samples from a variety of depositional environments and ages. Our results suggest that measurement of the ITL signal at 270 °C enables the quartz 325 °C TL peak to be used for accurate dose measurements on a single aliquot. The signal allows dating over at least...... the same age range as the OSL signal, and it appears especially advantageous for application to quartz samples for which the OSL signal saturates below 500 Gy....

  11. Dosimetric properties of natural quartz grains extracted from fired materials

    DEFF Research Database (Denmark)

    Bluszcz, A.; Bøtter-Jensen, L.

    1995-01-01

    The paper describes an examination of the dosimetric properties of natural quartz grains extracted from ancient fired materials. Eleven samples of different origin were tested for their TL and GLSL (green light stimulated luminescence) sensitivities within the mGy dose range. Very promising results...... were obtained showing the possibility of measuring the doses of around 10 mGy with 1% precision using GLSL or TL and using the single aliquot technique for natural quartz as a dosimeter. The lowest detectable dose was estimated to be lower than 500 mu Gy. The results obtained indicate that natural...... quartz grains from selected materials could be used for the dosimetry of environmental gamma radiation for the purposes of paleodosimetric dating methods as well as for accident dosimetry....

  12. Investigations on Local Quartz Sand for Application in Glass Industry

    Science.gov (United States)

    Dararutana, Pisutti; Chetanachan, Prukswan; Wathanakul, Pornsawat; Sirikulrat, Narin

    2009-03-01

    Silica or glass sand is a special type of quartz sand that is suitable for glass-making, because of its high silica content, and its low content of iron oxide and other compounds. In Thailand, deposits of quartz sand are found as the beach and the river sands in many areas; eastern, southern, northeastern and northern. In this work, grain-size distribution and chemical analyses were carried out on 10 sand samples taken from various localities in Thailand such as Chanthaburi, Trat, Rayong, Chumphon, Nakhon Si, Pattani, Phuket, Songkhla, Nong Khai, and Tak provinces. The geological resources show that most of them are the surface-to-near-surface glass sand deposits. The sand grains in most deposits were mainly angular-to-rounded, except in some areas of either angular or rounded grains. Chemical analysis showed that the sands contained more than 95wt% silica and low content of Fe, Al, Ca, Mg, Na, and K. The concentration levels of these components in the samples confirm with internationally acceptable standard for glass production. The quartz sand dressing plants that used the spiral classifier to improve the properties of the quartz sands to meet the standard specifications are mostly located in the eastern area. It can be concluded that most of the quartz sand deposits in Thailand investigated show well-sorted grain-size with considerable purity, i.e. high-grade quality. The advanced works resulted in that these raw quartz sands can be used as raw material for fabrication of soda-lime, lead crystal, and lead-free high refractive index glasses. The colorless and various colored glass products have been satisfactorily used in the domestic art and glass manufactures.

  13. Quartz red TL SAR equivalent dose overestimation for Chinese loess

    DEFF Research Database (Denmark)

    Lai, Z.P.; Murray, A.S.; Bailey, R.M.

    2006-01-01

    For the red TL of quartz extracted from Chinese loess, the single-aliquot regenerative-dose (SAR) procedure overestimates the known laboratory doses in dose recovery test. The overestimation is the result of the first heating during the measurement of natural TL signal causing a sensitivity...... reduction, which is not corrected for using a SAR protocol. The SARA procedure was used to measure the sensitivity change. Using this as a correction factor is tested by comparison with the quartz optically stimulated luminiscence (OSL) equivalent dose. SARA is also employed to determine the residual level...

  14. Chiral habit selection on nanostructured epitaxial quartz films.

    Science.gov (United States)

    Carretero-Genevrier, Adrián; Gich, Martí; Picas, Laura; Sanchez, Clément; Rodriguez-Carvajal, Juan

    2015-01-01

    Understanding the crystallization of enantiomorphically pure systems can be relevant to diverse fields such as the study of the origins of life or the purification of racemates. Here we report on polycrystalline epitaxial thin films of quartz on Si substrates displaying two distinct types of chiral habits that never coexist in the same film. We combine Atomic Force Microscopy (AFM) analysis and computer-assisted crystallographic calculations to make a detailed study of these habits of quartz. By estimating the surface energies of the observed crystallites we argue that the films are enantiomorphically pure and we briefly outline a possible mechanism to explain the habit and chiral selection in this system.

  15. Pressure effect on the sensitivity of quartz Bourdon tube gauges.

    Science.gov (United States)

    Szaniszlo, A. J.

    1972-01-01

    The sensitivity change for a commercial fused quartz Bourdon tube precision pressure gauge, due to a change in absolute pressure level, has been analytically computed and experimentally confirmed. The computed differential pressure error is 2.5% of full scale at a 100 atm absolute pressure level. The experimental method compared the fused quartz Bourdon tube gauge digital output to the results obtained from a nitrogen gas pressure system which had a high pressure, well-type mercury manometer as the differential pressure reference.

  16. Double acoustic microresonator quartz-enhanced photoacoustic spectroscopy.

    Science.gov (United States)

    Dong, Lei; Wu, Hongpeng; Zheng, Huadan; Liu, Yanyan; Liu, Xiaoli; Jiang, Wenzhe; Zhang, Lei; Ma, Weiguang; Ren, Wei; Yin, Wangbao; Jia, Suotang; Tittel, Frank K

    2014-04-15

    Quartz-enhanced photoacoustic spectroscopy (QEPAS) based on double acoustic microresonators (AmRs) is developed and experimentally investigated. The double AmR spectrophone configuration exhibits a strong acoustic coupling between the AmR and the quartz tuning fork, which results in a ∼5  ms fast response time. Moreover, the double AmRs provide two independent detection channels that allow optical signal addition or cancellation from different optical wavelengths and facilitate rapid multigas sensing measurements, thereby avoiding laser beam combination.

  17. Extensive authigenic quartz overgrowths in the gas-bearing Haynesville-Bossier Shale, USA

    Science.gov (United States)

    Dowey, Patrick J.; Taylor, Kevin G.

    2017-07-01

    In sandstone reservoirs, despite grain rearrangement during compaction, significant pore volumes may be retained prior to the onset of late diagenetic quartz cementation. In mudstone reservoirs, grain rearrangement during compaction results in significant pore volume reduction prior to late diagenesis. Where quartz overgrowths have been previously reported in post-compaction mudstones they have been in volumetrically low concentrations and interpreted as anomalous occurrences. Quartz cementation alters rock brittleness resulting in changes to mechanical fracture properties. Quartz overgrowths reduce reservoir porosity and permeability. We present petrographic evidence of two phases of quartz cement in the Haynesville-Bossier Shale: (i) grain replacive and (ii) quartz overgrowths. Carbonate grain replacement is volumetrically low (< 1%). Quartz overgrowths identified from SEM-CL imaging are volumetrically more significant (8-13%). Quartz overgrowths were most commonly observed in the sandy and coarse mudstone microfacies, but are present in both medium and fine mudstone microfacies. Petrographic evidence indicates three processes in the development of quartz overgrowths. Mica and pyrite are (i) engulfed and (ii) displaced by quartz overgrowth cement. The absence of a supportive, primary granular framework surrounding engulfed detrital and early authigenic minerals would indicate that quartz overgrowths are also (iii) replacive. Pressure dissolution of detrital quartz silt grains and smectite-to-illite transformation are likely sources of silica for quartz cement. This study is the first to document large-scale, replacive, authigenic quartz overgrowth development within a producing mudstone.

  18. Participation of the Halogens in Photochemical Reactions in Natural and Treated Waters

    Directory of Open Access Journals (Sweden)

    Yi Yang

    2017-10-01

    Full Text Available Halide ions are ubiquitous in natural waters and wastewaters. Halogens play an important and complex role in environmental photochemical processes and in reactions taking place during photochemical water treatment. While inert to solar wavelengths, halides can be converted into radical and non-radical reactive halogen species (RHS by sensitized photolysis and by reactions with secondary reactive oxygen species (ROS produced through sunlight-initiated reactions in water and atmospheric aerosols, such as hydroxyl radical, ozone, and nitrate radical. In photochemical advanced oxidation processes for water treatment, RHS can be generated by UV photolysis and by reactions of halides with hydroxyl radicals, sulfate radicals, ozone, and other ROS. RHS are reactive toward organic compounds, and some reactions lead to incorporation of halogen into byproducts. Recent studies indicate that halides, or the RHS derived from them, affect the concentrations of photogenerated reactive oxygen species (ROS and other reactive species; influence the photobleaching of dissolved natural organic matter (DOM; alter the rates and products of pollutant transformations; lead to covalent incorporation of halogen into small natural molecules, DOM, and pollutants; and give rise to certain halogen oxides of concern as water contaminants. The complex and colorful chemistry of halogen in waters will be summarized in detail and the implications of this chemistry for global biogeochemical cycling of halogen, contaminant fate in natural waters, and water purification technologies will be discussed.

  19. Halogens and their role in polar boundary-layer ozone depletion

    Directory of Open Access Journals (Sweden)

    W. R. Simpson

    2007-08-01

    Full Text Available During springtime in the polar regions, unique photochemistry converts inert halide salt ions (e.g. Br into reactive halogen species (e.g. Br atoms and BrO that deplete ozone in the boundary layer to near zero levels. Since their discovery in the late 1980s, research on ozone depletion events (ODEs has made great advances; however many key processes remain poorly understood. In this article we review the history, chemistry, dependence on environmental conditions, and impacts of ODEs. This research has shown the central role of bromine photochemistry, but how salts are transported from the ocean and are oxidized to become reactive halogen species in the air is still not fully understood. Halogens other than bromine (chlorine and iodine are also activated through incompletely understood mechanisms that are probably coupled to bromine chemistry. The main consequence of halogen activation is chemical destruction of ozone, which removes the primary precursor of atmospheric oxidation, and generation of reactive halogen atoms/oxides that become the primary oxidizing species. The different reactivity of halogens as compared to OH and ozone has broad impacts on atmospheric chemistry, including near complete removal and deposition of mercury, alteration of oxidation fates for organic gases, and export of bromine into the free troposphere. Recent changes in the climate of the Arctic and state of the Arctic sea ice cover are likely to have strong effects on halogen activation and ODEs; however, more research is needed to make meaningful predictions of these changes.

  20. The effects of halogen elements on the opening of an icosahedral B12 framework

    Science.gov (United States)

    Gong, Liang-Fa; Li, Wei; Osorio, Edison; Wu, Xin-Min; Heine, Thomas; Liu, Lei

    2017-10-01

    The fully halogenated or hydrogenated B12X122- (X = H, F, Cl, Br and I) clusters are confirmed to be icosahedral. On the other hand, the bare B12 cluster is shown to have a planar structure. A previous study showed that a transformation from an icosahedron to a plane happens when 5 to 7 iodine atoms are remained [P. Farràs et al., Chem. - Eur. J. 18, 13208-13212 (2012)]. Later, the transition was confirmed to be seven iodine atoms based on an infrared spectroscopy study [M. R. Fagiania et al., Chem. Phys. Lett. 625, 48-52 (2015)]. In this study, we investigated the effects of different halogen atoms on the opening of the B12 icosahedral cage by means of density functional theory calculations. We found that the halogen elements do not have significant effects on the geometries of the clusters. The computed infrared (IR) spectra show similar representative peaks for all halogen doped clusters. Interestingly, we found a blue-shift in the IR spectra with the increase in the mass of the halogen atoms. Further, we compared the Gibbs free energies at different temperatures for different halogen atoms. The results show that the Gibbs free energy differences between open and close structures of B12X7- become larger when heavier halogen atoms are presented. This interesting finding was subsequently investigated by the energy decomposition analysis.

  1. Participation of the Halogens in Photochemical Reactions in Natural and Treated Waters.

    Science.gov (United States)

    Yang, Yi; Pignatello, Joseph J

    2017-10-13

    Halide ions are ubiquitous in natural waters and wastewaters. Halogens play an important and complex role in environmental photochemical processes and in reactions taking place during photochemical water treatment. While inert to solar wavelengths, halides can be converted into radical and non-radical reactive halogen species (RHS) by sensitized photolysis and by reactions with secondary reactive oxygen species (ROS) produced through sunlight-initiated reactions in water and atmospheric aerosols, such as hydroxyl radical, ozone, and nitrate radical. In photochemical advanced oxidation processes for water treatment, RHS can be generated by UV photolysis and by reactions of halides with hydroxyl radicals, sulfate radicals, ozone, and other ROS. RHS are reactive toward organic compounds, and some reactions lead to incorporation of halogen into byproducts. Recent studies indicate that halides, or the RHS derived from them, affect the concentrations of photogenerated reactive oxygen species (ROS) and other reactive species; influence the photobleaching of dissolved natural organic matter (DOM); alter the rates and products of pollutant transformations; lead to covalent incorporation of halogen into small natural molecules, DOM, and pollutants; and give rise to certain halogen oxides of concern as water contaminants. The complex and colorful chemistry of halogen in waters will be summarized in detail and the implications of this chemistry for global biogeochemical cycling of halogen, contaminant fate in natural waters, and water purification technologies will be discussed.

  2. Noncovalent interactions in halogenated ionic liquids: theoretical study and crystallographic implications.

    Science.gov (United States)

    Li, Haiying; Lu, Yunxiang; Wu, Weihong; Liu, Yingtao; Peng, Changjun; Liu, Honglai; Zhu, Weiliang

    2013-03-28

    In recent years, several specific imidazolium-based ionic liquids with halogen substituents on the imidazole ring as well as on the alkyl chains have been reported. In this work, noncovalent interactions in four halogenated ionic liquids, i.e. 2-bromo-/iodo- and 4,5-dibromo-/diiodo-1,3-dimethylimidazolium trifluoromethanesulfonates, were systematically investigated using density functional theory calculations. The structural and energetic properties of the ion pairs for such ionic liquids have been fully examined and compared with the non-halogenated ones. It was found that C-X···O halogen bonds, C-H···O hydrogen bonds, and electrostatic interactions with the anion located over the imidazole ring in the ion pairs. In addition, the structures and energetics of two ion pairs for such ionic liquids were also explored to reproduce experimental observations. The halogen-bonded ring structures and the conformers with the concurrent C-H···O and C-X···O contacts were predicted, consistent with the X-ray crystal structures of corresponding organic salts. Finally, the implications of the observed structural and energetic features of ion pairs on the design of halogen-bonding ionic liquids were discussed. The results presented herein should provide useful information in the development of novel halogenated ionic liquids used for specific tasks ranging from organic synthesis to gas absorption.

  3. Cardioprotection with halogenated gases: how does it occur?

    Directory of Open Access Journals (Sweden)

    Guerrero-Orriach JL

    2017-03-01

    Full Text Available Jose Luis Guerrero-Orriach,1–3 Juan Jose Escalona Belmonte,1 Alicia Ramirez Fernandez,1 Marta Ramirez Aliaga,1 Manuel Rubio Navarro,1 Jose Cruz Mañas1 1Department of Cardioanesthesiology, Virgen de la Victoria University Hospital, 2Instituto de Investigación Biomédica de Málaga (IBIMA, 3Department of Pharmacology and Pediatrics, University of Malaga, Malaga, Spain Abstract: Numerous studies have studied the effect of halogenated agents on the myocardium, highlighting the beneficial cardiac effect of the pharmacological mechanism (preconditioning and postconditioning when employed before and after ischemia in patients with ischemic heart disease. Anesthetic preconditioning is related to the dose-dependent signal, while the degree of protection is related to the concentration of the administered drug and the duration of the administration itself. Triggers for postconditioning and preconditioning might have numerous pathways in common; mitochondrial protection and a decrease in inflammatory mediators could be the major biochemical elements. Several pathways have been identified, including attenuation of NFκB activation and reduced expression of TNFα, IL-1, intracellular adhesion molecules, eNOS, the hypercontraction reduction that follows reperfusion, and antiapoptotic activating kinases (Akt, ERK1/2. It appears that the preconditioning and postconditioning triggers have numerous similar paths. The key biochemical elements are protection of the mitochondria and reduction in inflammatory mediators, both of which are developed in various ways. We have studied this issue, and have published several articles on cardioprotection with halogenated gases. Our results confirm greater cardioprotection through myocardial preconditioning in patients anesthetized with sevoflurane compared with propofol, with decreasing levels of troponin and N-terminal brain natriuretic peptide prohormone. The difference between our studies and previous studies lies in

  4. Influence of Halogen Substituents on the Catalytic Oxidation of 2,4,6-Halogenated Phenols by Fe(III-Tetrakis(p-hydroxyphenyl porphyrins and Potassium Monopersulfate

    Directory of Open Access Journals (Sweden)

    Seiya Nagao

    2011-12-01

    Full Text Available The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs by iron(III-porphyrin/KHSO5 catalytic systems was investigated. Iron(III-5,10,15,20-tetrakis(p-hydroxyphenylporphyrin (FeTHP and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP, Cl (TrCP, Br (TrBP and I (TrIP were examined as halogen substituents for TrXPs. Although the supported catalysts significantly enhanced the degradation and dehalogenation of TrFP and TrCP, the oxidation of TrBP and TrIP was not enhanced, compared to the FeTHP catalytic system. These results indicate that the degree of oxidation of TrXPs is strongly dependent on the types of halogen substituent. The order of dehalogenation levels for halogen substituents in TrXPs was F > Cl > Br > I, consistent with their order of electronegativity. The electronegativity of a halogen substituent affects the nucleophilicity of the carbon to which it is attached. The levels of oxidation products in the reaction mixtures were analyzed by GC/MS after extraction with n-hexane. The most abundant dimer product from TrFP via 2,6-difluoroquinone is consistent with a scenario where TrXP, with a more electronegative halogen substituent, is readily oxidized, while less electronegative halogen substituents are oxidized less readily by iron(III-porphyrin/KHSO5 catalytic systems.

  5. Influence of halogen substituents on the catalytic oxidation of 2,4,6-halogenated phenols by Fe(III)-tetrakis(p-hydroxyphenyl) porphyrins and potassium monopersulfate.

    Science.gov (United States)

    Fukushima, Masami; Mizutani, Yusuke; Maeno, Shouhei; Zhu, Qianqian; Kuramitz, Hideki; Nagao, Seiya

    2011-12-22

    The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs) by iron(III)-porphyrin/KHSO₅ catalytic systems was investigated. Iron(III)-5,10,15,20-tetrakis(p-hydroxyphenyl)porphyrin (FeTHP) and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP), Cl (TrCP), Br (TrBP) and I (TrIP) were examined as halogen substituents for TrXPs. Although the supported catalysts significantly enhanced the degradation and dehalogenation of TrFP and TrCP, the oxidation of TrBP and TrIP was not enhanced, compared to the FeTHP catalytic system. These results indicate that the degree of oxidation of TrXPs is strongly dependent on the types of halogen substituent. The order of dehalogenation levels for halogen substituents in TrXPs was F > Cl > Br > I, consistent with their order of electronegativity. The electronegativity of a halogen substituent affects the nucleophilicity of the carbon to which it is attached. The levels of oxidation products in the reaction mixtures were analyzed by GC/MS after extraction with n-hexane. The most abundant dimer product from TrFP via 2,6-difluoroquinone is consistent with a scenario where TrXP, with a more electronegative halogen substituent, is readily oxidized, while less electronegative halogen substituents are oxidized less readily by iron(III)-porphyrin/KHSO₅ catalytic systems.

  6. Halogenation generates effective modulators of amyloid-Beta aggregation and neurotoxicity.

    Directory of Open Access Journals (Sweden)

    H Edward Wong

    Full Text Available Halogenation of organic compounds plays diverse roles in biochemistry, including selective chemical modification of proteins and improved oral absorption/blood-brain barrier permeability of drug candidates. Moreover, halogenation of aromatic molecules greatly affects aromatic interaction-mediated self-assembly processes, including amyloid fibril formation. Perturbation of the aromatic interaction caused by halogenation of peptide building blocks is known to affect the morphology and other physical properties of the fibrillar structure. Consequently, in this article, we investigated the ability of halogenated ligands to modulate the self-assembly of amyloidogenic peptide/protein. As a model system, we chose amyloid-beta peptide (Aβ, which is implicated in Alzheimer's disease, and a novel modulator of Aβ aggregation, erythrosine B (ERB. Considering that four halogen atoms are attached to the xanthene benzoate group in ERB, we hypothesized that halogenation of the xanthene benzoate plays a critical role in modulating Aβ aggregation and cytotoxicity. Therefore, we evaluated the modulating capacities of four ERB analogs containing different types and numbers of halogen atoms as well as fluorescein as a negative control. We found that fluorescein is not an effective modulator of Aβ aggregation and cytotoxicity. However, halogenation of either the xanthenes or benzoate ring of fluorescein substantially enhanced the inhibitory capacity on Aβ aggregation. Such Aβ aggregation inhibition by ERB analogs except rose bengal correlated well to the inhibition of Aβ cytotoxicity. To our knowledge, this is the first report demonstrating that halogenation of aromatic rings substantially enhance inhibitory capacities of small molecules on Aβ-associated neurotoxicity via Aβ aggregation modulation.

  7. Selective C(sp(2))-H Halogenation of "Click" 4-Aryl-1,2,3-triazoles.

    Science.gov (United States)

    Goitia, Asier; Gómez-Bengoa, Enrique; Correa, Arkaitz

    2017-02-17

    Selective bromination reactions of "click compounds" are described. Electron-neutral and electron-deficient arenes selectively undergo unprecedented Pd-catalyzed C-H ortho-halogenations assisted by simple triazoles as modular directing groups, whereas electron-rich arenes are regioselectively halogenated following an electrophilic aromatic substitution reaction pathway. These C-H halogenation procedures exhibit a wide group tolerance, complement existing bromination procedures, and represent versatile synthetic tools of utmost importance for the late-stage diversification of "click compounds". The characterization of a triazole-containing palladacycle and density functional theory studies supported the mechanism proposal.

  8. Induction of Axial Chirality in 8-Arylquinolines through Halogenation Reactions Using Bifunctional Organocatalysts.

    Science.gov (United States)

    Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro

    2017-07-26

    The enantioselective syntheses of axially chiral heterobiaryls were accomplished through the aromatic electrophilic halogenation of 3-(quinolin-8-yl)phenols with bifunctional organocatalysts that control the molecular conformations during successive halogenations. Axially chiral quinoline derivatives, which have rarely been synthesized in an enantioselective catalytic manner, were afforded in moderate-to-good enantioselectivities through bromination, and an analogous protocol also enabled enantioselective iodination. In addition, this catalytic reaction, which allows enantioselective control through the use of mono-ortho-substituted substrates, allowed the asymmetric synthesis of 8-arylquinoline derivatives bearing two different halogen groups in high enantioselectivities. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    Science.gov (United States)

    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.

  11. Fluorescence cell imaging and manipulation using conventional halogen lamp microscopy.

    Directory of Open Access Journals (Sweden)

    Kazuo Yamagata

    Full Text Available Technologies for vitally labeling cells with fluorescent dyes have advanced remarkably. However, to excite fluorescent dyes currently requires powerful illumination, which can cause phototoxic damage to the cells and increases the cost of microscopy. We have developed a filter system to excite fluorescent dyes using a conventional transmission microscope equipped with a halogen lamp. This method allows us to observe previously invisible cell organelles, such as the metaphase spindle of oocytes, without causing phototoxicity. Cells remain healthy even after intensive manipulation under fluorescence observation, such as during bovine, porcine and mouse somatic cell cloning using nuclear transfer. This method does not require expensive epifluorescence equipment and so could help to reduce the science gap between developed and developing countries.

  12. Iron Coordination and Halogen-Bonding Assisted Iodosylbenzene Activation

    DEFF Research Database (Denmark)

    Wegeberg, Christina; Poulsen de Sousa, David; McKenzie, Christine

    The iron complex of the hexadentate ligand N,N,N'-tris(2-pyridylmethyl)ethylendiamine-N'-acetate (tpena) efficiently catalyzes selective oxidations of electron-rich olefins and sulfides by insoluble iodosylbenzene (PhIO). Surprisingly, these reactions are faster and more selective than homogenous...... catalytic mixtures using soluble terminal oxygen transfer agents. Isolation of a reactive iron-terminal oxidant adduct, an unique Fe(III)-OIPh complex, is facilitated by strong stabilizing supramolecular halogen-bonding. L3-edge XANES suggests +1.6 for the average oxidation state for the iodine atom3...... in the iron(III)-coordinated PhIO. This represents a reduction of iodine relative to the original “hypervalent” (+3) PhIO. The equivalent of electron density must be removed from the {(tpena)Fe(III)O} moiety, however Mössbauer spectroscopy shows that the iron atom is not high valent....

  13. Microwave assisted pyrolysis of halogenated plastics recovered from waste computers.

    Science.gov (United States)

    Rosi, Luca; Bartoli, Mattia; Frediani, Marco

    2017-05-05

    Microwave Assisted Pyrolysis (MAP) of the plastic fraction of Waste from Electric and Electronic Equipment (WEEE) from end-life computers was run with different absorbers and set-ups in a multimode batch reactor. A large amount of various different liquid fractions (up to 76.6wt%) were formed together with a remarkable reduction of the solid residue (up to 14.2wt%). The liquid fractions were characterized using the following different techniques: FT-IR ATR, 1H NMR and a quantitative GC-MS analysis. The liquid fractions showed low density and viscosity, together with a high concentration of useful chemicals such as styrene (up to 117.7mg/mL), xylenes (up to 25.6mg/mL for p-xylene) whereas halogenated compounds were absent or present in a very low amounts. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Vanadium bromoperoxidase-catalyzed biosynthesis of halogenated marine natural products.

    Science.gov (United States)

    Carter-Franklin, Jayme N; Butler, Alison

    2004-11-24

    Marine red algae (Rhodophyta) are a rich source of bioactive halogenated natural products. The biogenesis of the cyclic halogenated terpene marine natural products, in particular, has attracted sustained interest in part because terpenes are the biogenic precursors of many bioactive metabolites. The first enzymatic asymmetric bromination and cyclization of a terpene, producing marine natural products isolated from red algae, is reported. Vanadium bromoperoxidase (V-BrPO) isolated from marine red algae (species of Laurencia, Plocamium, Corallina) catalyzes the bromination of the sesquiterpene (E)-(+)-nerolidol producing alpha-, beta-, and gamma-snyderol and (+)-3beta-bromo-8-epicaparrapi oxide. alpha-Snyderol, beta-snyderol, and (+)-3beta-bromo-8-epicaparrapi oxide have been isolated from Laurencia obtusa, and each have also been isolated from other species of marine red algae. gamma-Snyderol is a proposed intermediate in other bicyclo natural products. Single diastereomers of beta-snyderol, gamma-snyderol, and mixed diastereomers of (+)-3beta-bromo-8-epicaparrapi oxide (de = 20-25%) are produced in the enzyme reaction, whereas two diastereomers of these compounds are formed in the synthesis with 2,4,4,6-tetrabromocyclohexa-2,5-dienone (TBCO). V-BrPO likely functions by catalyzing the two-electron oxidation of bromide ion by hydrogen peroxide producing a bromonium ion or equivalent in the active site that brominates one face of the terminal olefin of nerolidol. These results establish V-BrPO's role in the biosynthesis of brominated cyclic sesquiterpene structures from marine red algae for the first time.

  15. Etching quartz with inductively coupled plasma etching equipment

    Science.gov (United States)

    Wu, Xuming; Zhou, Changhe; Xi, Peng; Dai, Enwen; Ru, Huayi; Liu, Liren

    2003-11-01

    Inductively Coupled Plasma (ICP)can achieve high density plasma in low pressure,so it has a number of significant advantages such as improved etching rates,better profile control,improved uniformity, greatly increased selectivity and a dramatic reduction in radiation damage and contamination. In optics,quartz is an ideal optical material with transmitting spectral range from deep ultraviolet to far infrared.So we systematically studied the etching characteristics of quartz by using a Inductively Coupled Plasma (ICP)etching system.In the xperim nts,the gas was the mixture of CHF3,O2 and Ar,and the chamber pressure was about 10 mTorr.Th influences of gas flow rate and the power of the radio frequency on etching rate were optimized. The uniformity and repeatability of the etching technology were also studied. After residue mask material was removed by wet chemical solution, no polymer was observed on the surfaces of samples,and the surfaces of the fabricated quartz elements were smooth and clean. The optimized etching process is important for the fabrication of micro-optical lements based on quartz. Using this etching process, many gratings such as Dammann grating, rectangular groove grating, and optical disk grating can be fabricated successfully.

  16. Evaluation of trapping parameters of annealed natural quartz

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Rui [College of Resources, Environment & Tourism, Capital Normal University, 100048 Beijing (China); Shisanling Seismic Station, Institute of Earthquake Science, CEA, 102200 Beijing (China); Wei, Ming-Jian, E-mail: weimj@cnu.edu.cn [College of Resources, Environment & Tourism, Capital Normal University, 100048 Beijing (China); Song, Bo [College of Resources, Environment & Tourism, Capital Normal University, 100048 Beijing (China); Beijing Jing Yuan School, 100040 Beijing (China); Zhang, Yan [College of Resources, Environment & Tourism, Capital Normal University, 100048 Beijing (China); School of TaiPingqiao, Nan Lu of West Railway Station, 100073 Beijing (China); Zhao, Qiu-Yue [Key Laboratory of Tourism and Resources Environment in Universities of Shandong, Taishan University, 271000 Tai’an (China); Pan, Bao-Lin; Li, Teng-Fei [College of Resources, Environment & Tourism, Capital Normal University, 100048 Beijing (China)

    2016-05-15

    The thermoluminescence (TL) trapping parameters of annealed quartz have been investigated. The apparent TL peaks observed at temperatures of 133 °C, 211 °C, 266 °C and 405 °C, respectively, were named Peak I, Peak II, Peak III and Peak IV. The T{sub m} − T{sub stop} method is applied to investigate the number of peaks and their positions, and to obtain the trap distributions in the quartz. Peak shape (PS), Hoogenstraaten method (Various Heating Rates Method, VHR), and Computerized Glow Curve Deconvolution (CGCD) are used to evaluate the trapping parameters of the annealed quartz. The glow curve can be considered as a superposition of at least nine overlapping peaks. These peaks show up at 133 °C, 211 °C, 266 °C, 308 °C, 333 °C, 384 °C, 441 °C, 466 °C and 484 °C. The PS method can be only used in evaluating the parameters for Peaks I. The VHR method can be used in evaluating the trapping parameters for the first three peaks. CGCD method is complementary to obtaining parameters for the sub-peaks, and the thermal quenching correction with the Urbach’s method is necessary. The Urbach’s coefficient for the quartz is 30.03 kT{sub m}.

  17. Triplet states at an O vacancy in alpha-quartz

    DEFF Research Database (Denmark)

    Lægsgaard, Jesper

    2002-01-01

    The energy landscape of an alpha-quartz O vacancy in the lowest triplet state is investigated. Four local minima are identified and geometries, total energies, and electron paramagnetic resonance (EPR) parameters are obtained. On the basis of calculated values for the magnetic dipole interaction...

  18. Influence of Quartz Fillers in Dielectric Composites on Electrostrictive Sensors

    Directory of Open Access Journals (Sweden)

    B.Shivamurthy

    2008-05-01

    Full Text Available In this investigation E-glass epoxy composite filled with different amount of quartz powder were prepared by compression moulding and hot curing. Plain waived E-glass cloth with density 200gm / meter square was used as reinforcement. Epoxy resin LY556 mixed with Hardener HT907 and accelerator DY063 in the ratio 100:80:2 was used as matrix. The quartz powder of 30 microns particle size was used as fillers. Four types of composites were prepared with different amount of quartz fillers like 0%, 3%, 6% and 9% with unchanged reinforcement. For all the samples, dielectric dissipation factor (tan δ, dielectric constant and a. c. conductivity and electrostriction have been measured by using a LCR meter at 1 KHz frequency. The phenomenon of electrostriction was examined for all samples (of different percentage of quartz filled composites. It is observed that the percentage of filler influences the electrostriction phenomena in the composites. The 6 % filler content composites samples exhibits the improved electrostriction phenomenon required for sensors compared to other types of composites.

  19. Characterization of silica quartz as raw material in photovoltaic applications

    Energy Technology Data Exchange (ETDEWEB)

    Boussaa, S. Anas, E-mail: sabiha.anas@gmail.com; Kheloufi, A.; Kefaifi, A.; Kerkar, F. [Division croissance cristalline et procédés métallurgiques CCPM Centre de recherche en technologie des semi-conducteurs pour l’énergétique (C.R.T.S.E) 02 Bd Frantz Fanon BP. 140 Alger 7 merveilles, Alger 16200 (Algeria); Zaourar, N. Boutarek [Laboratoire des technologies des matériaux, USTHB, B.P. 32 El Alia, Bab Ezzouar, Alger, Algérie 16111 (Algeria)

    2016-07-25

    Raw materials are essential for the functioning of modern societies, and access to these raw materials is vital to the world economy. Sustainable development, both globally level, raises important new challenges associated with access and efficient use of raw materials. High purity quartz, is consider as a critical raw material and it is a rare commodity that only forms under geological conditions where a narrow set of chemical and physical parameters is fulfilled. When identified and following special beneficiation techniques, high purity quartz obtains very attractive prices and is applied in high technology sectors that currently are under rapid expansion such as photovoltaic solar cells, silicon metal - oxide wafers in the semiconductor industry and long distance optical fibers that are used in communication networks. Crystalline silicon remains the principal material for photovoltaic technology. Metallurgical silicon is produced industrially by the reduction of silica with carbon in an electric arc furnace at temperatures higher than 2000 °C in the hottest parts, by a reaction that can be written ideally as: SiO{sub 2} + 2C = Si + 2CO. The aim of this study has been to test experimental methods for investigating the various physical and chemical proprieties of Hoggar quartz with different techniques: X Ray Fluorescence, infra-red spectroscopy, Scanning Electron Microscopy, Optic Microscopy, Carbon Analyzer and Vickers Hardness. The results show finally that the quartz has got good result in purity but need enrichment for the photovoltaic application.

  20. Meteorological factors in the Quartz Creek forest fire

    Science.gov (United States)

    H. T. Gisborne

    1927-01-01

    It is not often that a large forest fire occurs conveniently near a weather station specially equipped for measuring forest-fire weather. The 13,000-acre Quartz Creek fire on the Kaniksu National Forest during the summer of 1936 was close enough to the Priest River Experimental Forest of the Northern Rocky Mountain Forest Experiment Station for the roar of the flumes...

  1. Characterization of silica quartz as raw material in photovoltaic applications

    Science.gov (United States)

    Boussaa, S. Anas; Kheloufi, A.; Zaourar, N. Boutarek; Kefaifi, A.; Kerkar, F.

    2016-07-01

    Raw materials are essential for the functioning of modern societies, and access to these raw materials is vital to the world economy. Sustainable development, both globally level, raises important new challenges associated with access and efficient use of raw materials. High purity quartz, is consider as a critical raw material and it is a rare commodity that only forms under geological conditions where a narrow set of chemical and physical parameters is fulfilled. When identified and following special beneficiation techniques, high purity quartz obtains very attractive prices and is applied in high technology sectors that currently are under rapid expansion such as photovoltaic solar cells, silicon metal - oxide wafers in the semiconductor industry and long distance optical fibers that are used in communication networks. Crystalline silicon remains the principal material for photovoltaic technology. Metallurgical silicon is produced industrially by the reduction of silica with carbon in an electric arc furnace at temperatures higher than 2000 °C in the hottest parts, by a reaction that can be written ideally as: SiO2 + 2C = Si + 2CO. The aim of this study has been to test experimental methods for investigating the various physical and chemical proprieties of Hoggar quartz with different techniques: X Ray Fluorescence, infra-red spectroscopy, Scanning Electron Microscopy, Optic Microscopy, Carbon Analyzer and Vickers Hardness. The results show finally that the quartz has got good result in purity but need enrichment for the photovoltaic application.

  2. Symmetry and Piezoelectricity: Evaluation of $\\alpha$-Quartz coefficients

    OpenAIRE

    Tannous, C.

    2017-01-01

    Piezoelectric coefficients of $\\alpha$-Quartz are derived from symmetry arguments based on Neumann's Principle with three different methods: Fumi, Landau-Lifshitz and Royer-Dieulesaint. While Fumi method is tedious and Landau-Lifshitz requires additional physical principles to evaluate the piezoelectric coefficients, Royer-Dieulesaint is the most elegant and most efficient of the three techniques.

  3. Absorbed dose evaluations in retrospective dosimetry: Methodological developments using quartz

    DEFF Research Database (Denmark)

    Bailiff, I.K.; Bøtter-Jensen, L.; Correcher, V.

    2000-01-01

    Dose evaluation procedures based on luminescence techniques were applied to 50 quartz samples extracted from bricks that had been obtained from populated or partly populated settlements in Russia and Ukraine downwind of the Chernobyl NPP. Determinations of accrued dose in the range similar to 30...

  4. Speciation and phase separation of water in quartz (A review ...

    African Journals Online (AJOL)

    Speciation, supersaturation and phase separation of water in hydrothermal grown (synthetic) quartz cryst-als have been examined as fundamental issues determining clustering, nucleation and bubble formation, which have profound influence on hydrolytic weakening, dislocation-bubble interactions and high temperature ...

  5. Application of quartz crystal microbalance technology in tribological investigation

    Science.gov (United States)

    The last fifteen years have seen considerable growth in the application of quartz crystal microbalance (QCM) to explore the tribological characteristics of materials. This article reviews some of the advances made in characterizing frictional properties of materials using the QCM, especially with di...

  6. Quartz-like Crystals Found in Planetary Disks

    Science.gov (United States)

    2008-01-01

    NASA's Spitzer Space Telescope has, for the first time, detected tiny quartz-like crystals sprinkled in young planetary systems. The crystals, which are types of silica minerals called cristobalite and tridymite, can be seen close-up in the black-and-white insets (cristobalite is on the left, and tridymite on the right). The main picture is an artist's concept of a young star and its swirling disk of planet-forming materials. Cristobalite and tridymite are thought to be two of many planet ingredients. On Earth, they are normally found as tiny crystals in volcanic lava flows and meteorites from space. These minerals are both related to quartz. For example, if you were to heat the familiar quartz crystals often sold as mystical tokens, the quartz would transform into cristobalite and tridymite. Because cristobalite and tridymite require rapid heating and cooling to form, astronomers say they were most likely generated by shock waves traveling through the planetary disks. The insets are Scanning Electron Microscope pictures courtesy of George Rossman of the California Institute of Technology, Pasadena, Calif.

  7. Quartz crystal microbalance gas sensor with nanocrystalline diamond sensitive layer

    Czech Academy of Sciences Publication Activity Database

    Varga, Marián; Laposa, A.; Kulha, Pavel; Kroutil, J.; Husák, M.; Kromka, Alexander

    2015-01-01

    Roč. 252, č. 11 (2015), s. 2591-2597 ISSN 0370-1972 R&D Projects: GA ČR(CZ) GBP108/12/G108 Institutional support: RVO:68378271 Keywords : gas sensor * nanocrystalline diamond * quartz resonator * thickness shear mode Subject RIV: JB - Sensors, Measurment, Regulation Impact factor: 1.522, year: 2015

  8. Geology and geochemistry of giant quartz veins from the ...

    Indian Academy of Sciences (India)

    They show imprints of strong brittle to ductile–brittle deformation, and in places are associated with base metal and gold incidences, and pyrophyllite-diaspore mineralization. The geochemistry of giant quartz veins were studied. Apart from presenting new data on the geology and geochemistry of these veins, an attempt has ...

  9. The Brenner Moor - A saline bog as a source for halogenated and non-halogenated volatile compounds

    Science.gov (United States)

    Krause, T.; Studenroth, S.; Furchner, M.; Hoffman, A.; Lippe, S.; Kotte, K.; Schöler, H. F.

    2012-04-01

    The Brenner Moor is a small bog in the catchment area of the river Trave located in Schleswig-Holstein, North Germany, between Baltic and North Sea. The bog is fed by several saline springs with chloride concentrations up to 15 g/L. The high chloride concentrations and the high organic content of the peat make the Brenner Moor an ideal source for the abiotic formation of volatile organic halogenated compounds (VOX). VOX play an important role in the photochemical processes of the lower atmosphere and information on the atmospheric input from saline soils like the Brenner Moor will help to understand the global fluxes of VOX. Soil samples were taken in spring 2011 from several locations and depths in the vicinity of the Brenner Moor. The samples were freeze-dried, ground and incubated in water emphasising an abiotic character for the formation of volatile organic compounds. 1,2-dichloroethane and trichloromethane are the main halogenated compounds emitted from soils of the Brenner Moor. The abiotic formation of trichloromethane as well as other trihalomethanes has been part of intensive studies. A well known source is the decarboxylation of trichloroacetic acid and trichloroacetyl-containing compounds to trichloromethane [1]. Huber et al. discovered another pathway in which catechol, as a model compound for organic substances, is oxidised under Fenton-like conditions with iron(III), hydrogen peroxide and halides to form trihalomethanes [2]. Besides the halogenated compounds, the formation of sulphur compounds such as dimethyl sulfide and dimethyl disulfide and several furan derivatives could be detected which also have an impact on atmospheric chemistry, especially particle formation of clouds. Furan, methylfuran and dimethylfuran are compounds that can be obtained under Fenton-like oxidation from catechol, methyl- and dimethylcatechol and are known to be produced in natural soils [3]. A novel class of furan derivatives that are formed under abiotic conditions from

  10. Construction of Tungsten Halogen, Pulsed LED, and Combined Tungsten Halogen-LED Solar Simulators for Solar Cell I-V Characterization and Electrical Parameters Determination

    Directory of Open Access Journals (Sweden)

    Anon Namin

    2012-01-01

    Full Text Available I-V characterization of solar cells is generally done under natural sunlight or solar simulators operating in either a continuous mode or a pulse mode. Simulators are classified on three features of irradiance, namely, spectral match with respect to air mass 1.5, spatial uniformity, and temporal stability. Commercial solar simulators use Xenon lamps and halogen lamps, whereas LED-based solar simulators are being developed. In this work, we build and test seven simulators for solar cell characterization, namely, one tungsten halogen simulator, four monochromatic (red, green, blue, and white LED simulators, one multicolor LED simulator, and one tungsten halogen-blue LED simulator. The seven simulators provide testing at nonstandard test condition. High irradiance from simulators is obtained by employing elevated supply voltage to tungsten halogen lamps and high pulsing voltages to LEDs. This new approach leads to higher irradiance not previously obtained from tungsten halogen lamps and LEDs. From I-V curves, electrical parameters of solar cell are made and corrected based on methods recommended in the IEC 60891 Standards. Corrected values obtained from non-STC measurements are in good agreement with those obtained from Class AAA solar simulator.

  11. Piezoelectrically forced vibrations of rectangular SC-cut quartz plates

    Science.gov (United States)

    Lee, P. C. Y.; Lin, W. S.

    1998-06-01

    A system of two-dimensional first-order equations for piezoelectric crystal plates with general symmetry and with electroded faces was recently deduced from the three-dimensional equations of linear piezoelectricity. Solutions of these equations for AT-cut plates of quartz were shown to give accurate dispersion curves without corrections, and the resonances predicted agree closely with the experimental data of Koga and Fukuyo [I. Koga and H. Fukuyo, J. Inst. Electr. Commun. Eng. Jpn. 36, 59 (1953)] and that of Nakazawa, Horiuchi, and Ito (M. Nakazawa, K. Horiuchi, and H. Ito, Proceedings of the 1990 IEEE Ultrasonics Symposium, pp. 547-555). In this article, these equations are employed to study the free as well as the forced vibrations of doubly rotated quartz plates. Solutions of straight-crested vibrational modes varying in the x1 and x3 directions of SC-cut quartz plates of infinite extent are obtained and from which dispersion curves are computed. Comparison of those dispersion curves with those from the three-dimensional equations shows that the agreement is very close without any corrections. Resonance frequencies for free vibrations and capacitance ratios for piezoelectrically forced vibrations are computed and examined for various length-to-thickness or width-to-thickness ratios of rectangular SC-cut quartz plates. The capacitance ratio as a function of forcing frequency is computed for a rectangular AT-cut quartz and compared with the experimental data of Seikimoto, Watanabe, and Nakazawa (H. Sekimoto, Y. Watanabe, and M. Nakazawa, Proceedings of the 1992 IEEE Frequency Control Symposium, pp. 532-536) and is in close agreement.

  12. Fracture flow due to hydrothermally induced quartz growth

    Science.gov (United States)

    Kling, Tobias; Schwarz, Jens-Oliver; Wendler, Frank; Enzmann, Frieder; Blum, Philipp

    2017-09-01

    Mineral precipitations are a common feature and limitation of initially open, permeable rock fractures by forming sealing structures or secondary roughness in open voids. Hence, the objective of this numerical study is the evaluation of hydraulic properties of fractures sealed by hydrothermally induced needle and compact quartz growth. Phase-field models of progressive syntaxial and idiomorphic quartz growth are implemented into a fluid flow simulation solving the Navier-Stokes equation. Flow simulations for both quartz types indicate an obvious correlation between changes in permeability, fracture properties (e.g. aperture, relative roughness and porosity) and crystal growth behavior, which also forms distinct flow paths. Thus, at lower sealing stages initial fracture permeability significantly drops down for the 'needle fracture' forming highly tortuous flow paths, while the 'compact fracture' records a considerably smaller loss. Fluid flow in both sealing fractures most widely is governed by a ;parallel plate;-like cubic law behavior. However, the 'needle fracture' also reveals flow characteristics of a porous media. A semi-theoretical equation is introduced that links geometrical (am) with hydraulically effective apertures (ah) and the relative fracture roughness. For this purpose, a geometry factor α is introduced being α = 2.5 for needle quartz and α = 1.0 for compact quartz growth. In contrast to most common ah-am-relationships this novel formulation not only reveals more precise predictions for the needle (RMSE = 1.5) and the compact fractures (RMSE = 3.2), but also exhibit a larger range of validity concerning the roughness of the 'needle' (σ/am = 0-2.4) and the 'compact fractures' (σ/am = 0-1.8).

  13. Albite [yields] jadeite + quartz transformation in rock: Mechanism and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Bohlen, S.R.; Kirby, S.H. (Geological Survey, Menlo Park, CA (United States)); Hacker, B.R.

    1992-01-01

    Recent work on the calcite [yields] aragonite transformation using fully dense marble revealed significant differences from earlier experiments on powders and single-crystals. The reaction rate is retarded by a factor of > 1,000 and reaction mechanisms and resultant textures are considerably more complex. Stimulated by this, the authors conducted a study of the albite [yields] jadeite + quartz/coesite transformation in a fully dense albitite. Again the results are in marked contrast with previous powder-based studies of this archetypal metamorphic reaction. Solid cores of albitite were held at temperatures of 500-1,200 C and at pressure oversteps of 500 MPa into the jadeite + quartz stability field for 1--8 days in piston-cylinder apparatus. Samples that were dried in vacuum transformed appreciably only at temperatures in excess of 1,000 C. At all grain boundaries there is subequal transformation to micron-scale intergrowths of jadeite + quartz. Samples that were vacuum-impregnated with 1 wt% water contain jadeite + quartz to temperatures as low as 600 C. In contrast to the dried samples, transformation is much less homogeneous. The jadeite + quartz intergrowths do not form rows of subparallel crystals on grain boundaries, but rather are flower-shaped clusters that radiate outward from single nucleation sites at 3-grain edges and 4-grain corners. Compared to powders, pressure oversteps a factor of 10 greater are necessary to induce equivalent reaction in albitite. The sluggishness of this reaction has important implications for the evolution of the lower continental crust and subducting oceanic crust in terms of their (1) seismic velocity profiles, (2) petrological evolution, and (3) buoyancy forces, stresses and vertical crustal movements connected with densification and dilatational reactions.

  14. A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy Applications

    Directory of Open Access Journals (Sweden)

    Tomasz Starecki

    2017-11-01

    Full Text Available All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations. Taking into consideration that QEPAS sensors are based on quartz tuning forks, and that quartz has a relatively high voltage constant and relatively low charge constant, it seems that a transimpedance amplifier is not an optimal solution. This paper describes the design of a quartz QEPAS sensor preamplifier, implemented with voltage amplifier configuration. Discussion of an electrical model of the circuit and preliminary measurements are presented. Both theoretical analysis and experiments show that use of the voltage configuration allows for a substantial increase of the output signal in comparison to the transimpedance circuit with the same tuning fork working in identical conditions. Assuming that the sensitivity of the QEPAS technique depends directly on the properties of the preamplifier, use of the voltage amplifier configuration should result in an increase of QEPAS sensitivity by one to two orders of magnitude.

  15. A High Sensitivity Preamplifier for Quartz Tuning Forks in QEPAS (Quartz Enhanced PhotoAcoustic Spectroscopy) Applications.

    Science.gov (United States)

    Starecki, Tomasz; Wieczorek, Piotr Z

    2017-11-03

    All the preamplifiers dedicated for Quartz Enhanced PhotoAcoustic Spectroscopy (QEPAS) applications that have so far been reported in the literature have been based on operational amplifiers working in transimpedance configurations. Taking into consideration that QEPAS sensors are based on quartz tuning forks, and that quartz has a relatively high voltage constant and relatively low charge constant, it seems that a transimpedance amplifier is not an optimal solution. This paper describes the design of a quartz QEPAS sensor preamplifier, implemented with voltage amplifier configuration. Discussion of an electrical model of the circuit and preliminary measurements are presented. Both theoretical analysis and experiments show that use of the voltage configuration allows for a substantial increase of the output signal in comparison to the transimpedance circuit with the same tuning fork working in identical conditions. Assuming that the sensitivity of the QEPAS technique depends directly on the properties of the preamplifier, use of the voltage amplifier configuration should result in an increase of QEPAS sensitivity by one to two orders of magnitude.

  16. Enzymatic Halogenation: A Timely Strategy for Regioselective C-H Activation.

    Science.gov (United States)

    Schnepel, Christian; Sewald, Norbert

    2017-09-07

    Halogenating enzymes are increasingly attracting attention for biocatalytic C-H functionalization. Despite its importance for synthetic chemistry, selective introduction of halogens using conventional approaches often remains challenging, whereas biocatalysis offers excellent catalyst-controlled selectivity without requiring protecting groups or hazardous reagents. Owing to the high prevalence of halogenated secondary metabolites, a still growing repertoire of halogenases has been identified. Recently, flavin-dependent tryptophan halogenases came into focus for synthetic use. Nevertheless, these enzymes still suffer from severe deficiencies. Herein, current attempts in optimizing tryptophan halogenases have been compiled. Enzyme discovery, structure elucidation and mechanisms are reviewed with focus on biosynthesis of halogenated arenes. Emphasis is also given to random and rational engineering, high-throughput screening and implementation of halogenases into one-pot processes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Changes in patterns of persistent halogenated compounds through a pelagic food web in the Baltic Sea

    DEFF Research Database (Denmark)

    Stephansen, Diana Agnete; Svendsen, Tore Christian; Vorkamp, Katrin

    2012-01-01

    The concentrations and patterns of persistent halogenated compounds (PHCs), including polychlorinated biphenyls (PCBs), DDT, hexachlorocyclohexanes (HCHs), hexachlorobenzene (HCB) and polybrominated diphenyl ethers (PBDEs) were examined in a pelagic food web from the southern Baltic Sea consisting...

  18. Correction: Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation.

    Science.gov (United States)

    Trogolo, Daniela; Arey, J Samuel

    2016-11-16

    Correction for 'Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation' by Daniela Trogolo et al., Phys. Chem. Chem. Phys., 2015, 17, 3584-3598.

  19. PATTERN RECOGNITION STUDIES OF HALOGENATED ORGANIC COMPOUNDS USING CONDUCTING POLYMER SENSOR ARRAYS. (R825323)

    Science.gov (United States)

    Direct measurement of volatile and semivolatile halogenated organic compounds of environmental interest was carried out using arrays of conducting polymer sensors. Mathematical expressions of the sensor arrays using microscopic polymer network model is described. A classical, non...

  20. UARS Halogen Occultation Experiment (HALOE) Level 2 V019 (UARHA2FN) at GES DISC

    Data.gov (United States)

    National Aeronautics and Space Administration — The Halogen Occultation Experiment (HALOE) Level 2 data product consists of daily vertical profiles of temperature, aerosol extinciton and pressure, as well as...

  1. UARS Halogen Occultation Experiment (HALOE) Level 3AT V019 (UARHA3AT) at GES DISC

    Data.gov (United States)

    National Aeronautics and Space Administration — The Halogen Occultation Experiment (HALOE) Level 3AT data product consists of daily vertical profiles of temperature, aerosol extinction and concentrations of HCl,...

  2. SYNTHESIS OF HALOGEN DERIVATIVES OF N-ARYLAMINOCARBONYL-1,4-BENZOQUINONE MONOIMINES

    Directory of Open Access Journals (Sweden)

    S. A. Konovalova

    2017-03-01

    Full Text Available The hydrohalogenation of N-arylaminocarbonyl-1,4-benzoquinone monoimines is optimal method to obtain the halogenated derivatives. This method allows obtaining the pure products in high yield with a halogen atom in the aminophenol ring. The bromination of N-arylaminocarbonyl-1,4-benzoquinone monoimines and their reduced forms allows obtaining of individual products only in several cases. The bromination allows synthesizing of products with a halogen atom not only in the aminophenol ring, but in the aryl moiety too. As a result of the experiment we have found the optimal conditions to synthesis the N-arylaminocarbonyl-1,4-benzoquinone monoimine derivatives containing halogen atom. The bromination and hydrohalogenation products with one free ortho-position toward to the imine carbon atom of the quinoid ring can be used as synthons in the synthesis of heterocyclic compounds – 1,3-benzoxazole derivatives.

  3. Characterization of magnetite particles in shocked quartz by means of electron- and magnetic force microscopy: Vredefort, South Africa

    CSIR Research Space (South Africa)

    Cloete, M

    1999-11-01

    Full Text Available ) in quartz generally accepted as typical shock lamellae. The magnetite particles along shock lamellae in quartz grains virtually all show uniform crystallographic orientations. In most instances, the groups of magnetite within different quartz grains...

  4. EXTRACTION OF CRISTOBALITE FROM MILKY-WHITE FORMS OF QUARTZ STUFF1

    OpenAIRE

    Issaev, V.; Oreshnikova, N.

    1997-01-01

    Natural quartz is one of die main sources of getting a unique material - quartz glass. Wide application of quartz glass in chemical and electronic industry, aviation and cosmonautics, fibre optics and computer techniques makes it absolutely indispensable. However, industrial reserves of rock-chrystal lodes, that is die most pure source of quartz stuff with minimal mineral admixturer, are practically exhausted everywhere. All this results in usage of.low quality stuff and, thus, to significant...

  5. Properties and behavior of quartz for the silicon process

    Energy Technology Data Exchange (ETDEWEB)

    Aasly, Kurt

    2008-07-01

    This PhD-thesis is a result of the study on important properties of quartz as a raw material for the metallurgical production of ferrosilicon and silicon metal. This includes defining mechanical properties important for the size reduction experienced during transport and storage and thermo-mechanical properties of quartz that is important for how the quartz reacts to the high temperatures experienced as it is charged on the furnace. Additionally, softening properties of quartz have been briefly discussed in some of the papers. Another important goal has been to test analytical and experimental methods for investigating the various properties. The investigations of important factors for the mechanical properties of ores and industrial minerals have been carried out as a literature study. The mining operation and transport from mine to smelter has been discussed and several factors that are significant for achieving best possible mechanical properties of the quartz have been identified. The most important factors are related to production in the mine and processing plant, which should be carefully planned to minimize the amount of blast-induced damage in the rock and thus achieve the best possible mechanical strength of the raw material. The amount of fines can be minimized by controlling the handling of the raw materials during the transport and storage. It is especially important to avoid high drops, both high single drops and accumulated height of all the drops in total. Investigations of the thermo-mechanical properties of quartz have been carried out by using different experimental and characterization methods. The petrographic investigations of the raw materials by polarized light microscopy have been important. Thermo-mechanical investigations have been high-temperature microthermometry and shock heating of quartz samples in an induction furnace with subsequent investigations of the heated material. The subsequent investigation included polarized- and

  6. Pd-Catalyzed regioselective C-H halogenation of quinazolinones and benzoxazinones.

    Science.gov (United States)

    Dabiri, Minoo; Farajinia Lehi, Noushin; Kazemi Movahed, Siyavash; Khavasi, Hamid Reza

    2017-08-07

    A Pd-catalyzed ortho-selective halogenation of benzoxazinone and quinazolinone scaffolds has been described employing N-halosuccinimide as both a halogen source and an oxidant reagent via C-H bond activation. This transformation shows high chemo- and regioselectivities and demonstrates a broad range of benzoxazinone and quinazolinone substrates with different functional groups and has been scaled up to the gram level.

  7. Advances in Metal-Catalyzed Cross-Coupling Reactions of Halogenated Quinazolinones and Their Quinazoline Derivatives

    Directory of Open Access Journals (Sweden)

    Malose Jack Mphahlele

    2014-10-01

    Full Text Available Halogenated quinazolinones and quinazolines are versatile synthetic intermediates for the metal-catalyzed carbon–carbon bond formation reactions such as the Kumada, Stille, Negishi, Sonogashira, Suzuki-Miyaura and Heck cross-coupling reactions or carbon-heteroatom bond formation via the Buchwald-Hartwig cross-coupling to yield novel polysubstituted derivatives. This review presents an overview of the application of these methods on halogenated quinazolin-4-ones and their quinazolines to generate novel polysubstituted derivatives.

  8. Simulation of Pressure Induced Phase Transition and Modulated Structures of Quartz

    OpenAIRE

    Sergey V., DMITRIEV; Miki, YAJIMA; Yoshiya, MAKITA; Kohji, ABE; Takeshi, SHIGENARI; Department of Applied Physics and Chemistry, University of Electro-Communications; Department of Applied Physics and Chemistry, University of Electro-Communications; Department of Applied Physics and Chemistry, University of Electro-Communications; Department of Applied Physics and Chemistry, University of Electro-Communications; Department of Applied Physics and Chemistry, University of Electro-Communications

    2000-01-01

    In the vicinity of α⟷β transition in quartz there exists an incommensurate phase. We perform numerical calculations to obtain the phase diagram of quartz and estimate the period of modulation. The results show that modulation phase with a short period is preferable in contrast to the currently accepted interpretation of incommensurate phase in quartz.

  9. 30 CFR 71.101 - Respirable dust standard when quartz is present.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Respirable dust standard when quartz is present... UNDERGROUND COAL MINES Dust Standards § 71.101 Respirable dust standard when quartz is present. When the respirable dust in the mine atmosphere of the active workings contains more than 5 percent quartz, the...

  10. 30 CFR 90.101 - Respirable dust standard when quartz is present.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Respirable dust standard when quartz is present... quartz is present. When the respirable dust in the mine atmosphere of the active workings to which a Part 90 miner is exposed contains more than 5 percent quartz, the operator shall continuously maintain the...

  11. 75 FR 30282 - Airworthiness Directives; Quartz Mountain Aerospace, Inc. Model 11E Airplanes

    Science.gov (United States)

    2010-06-01

    ...-008-AD; Amendment 39-16312; AD 2010-11-07] RIN 2120-AA64 Airworthiness Directives; Quartz Mountain... Quartz Mountain Aerospace, Inc. Model 11E airplanes. This AD requires you to clean and lubricate the... publications listed in this AD. ADDRESSES: Quartz Mountain Aerospace, Inc. is in liquidation. For service/or...

  12. 30 CFR 70.101 - Respirable dust standard when quartz is present.

    Science.gov (United States)

    2010-07-01

    ... 30 Mineral Resources 1 2010-07-01 2010-07-01 false Respirable dust standard when quartz is present... Respirable dust standard when quartz is present. When the respirable dust in the mine atmosphere of the active workings contains more than 5 percent quartz, the operator shall continuously maintain the average...

  13. 75 FR 12468 - Airworthiness Directives; Quartz Mountain Aerospace, Inc. Model 11E Airplanes

    Science.gov (United States)

    2010-03-16

    ... Federal Aviation Administration 14 CFR Part 39 RIN 2120-AA64 Airworthiness Directives; Quartz Mountain... airworthiness directive (AD) for all Quartz Mountain Aerospace, Inc. Model 11E airplanes. This proposed AD would... 5 p.m., Monday through Friday, except Federal holidays. Quartz Mountain Aerospace, Inc. is in...

  14. Some new results on irradiation characteristics of synthetic quartz crystals and their application to radiation hardening

    Science.gov (United States)

    Bahadur, H.; Parshad, R.

    1983-01-01

    The paper reports some new results on irradiation characteristics of synthetic quartz crystals and their application to radiation hardening. The present results show how the frequency shift in quartz crystals can be influenced by heat processing prior to irradiation and how this procedure can lead to radiation hardening for obtaining precise frequencies and time intervals from quartz oscillators in space.

  15. Cancer morbidity and quartz exposure in Swedish iron foundries.

    Science.gov (United States)

    Westberg, Håkan; Andersson, Lena; Bryngelsson, Ing-Liss; Ngo, Yen; Ohlson, Carl-Göran

    2013-07-01

    The aim of this study was to determine cancer morbidity amongst Swedish iron foundry workers with special reference to quartz exposure. In addition to respirable dust and quartz, phenol, formaldehyde, furfuryl alcohols, polycyclic aromatic hydrocarbons (PAHs), carbon black, isocyanates and asbestos are used or generated by foundry production techniques and exposure to any of these substances could have potentially carcinogenic effects. Cancer morbidity between 1958 and 2004 was evaluated in a cohort of 3,045 male foundry workers employed for >1 year between 1913 and 2005. Standardised incidence ratios (SIRs) with 95 % confidence intervals (95 % CI) were determined by comparing observed numbers of incident cancers with frequencies in the Swedish cancer register. Exposure measures were assessed using information from the personal files of employees and modelling quartz measurement based on a database of 1,667 quartz measurements. Dose responses for lung cancer were determined for duration of employment and cumulative quartz exposure for latency periods >20 years. Overall cancer morbidity was not increased amongst the foundry workers (SIR 1.00; 95 % CI, 0.90-1.11), but the incidence of lung cancer was significantly elevated (SIR 1.61; 95 % CI, 1.20-2.12). A non-significant negative dose response was determined using external comparison with a latency period of >20 years (SIR 2.05, 1.72 1.26 for the low, medium and high exposure groups), supported by internal comparison data (hazard ratios 1, 1.01, 0.78) for the corresponding groups. For cancers at sites with at least five observed cases and a SIR > 1.25, non-significant risks with SIRs > 1.5 were determined for cancers of the liver, larynx, testis, connective muscle tissue, multiple myeloma plasmacytoma and lymphatic leukaemia. A significant overall risk of lung cancer was determined, but using external and internal comparison groups could not confirm any dose response at our cumulative quartz dose levels.

  16. Comparison of shear bond strength of orthodontic brackets bonded with halogen and plasma arc light curing.

    Science.gov (United States)

    Toodehzaeim, Mohammad Hossein; Kazemi, Alireza Danesh; Aghili, Hossein Agha; Barzegar, Kazem; Fallahtafti, Taranom

    2012-05-01

    Reduced time and appropriate bond strength of brackets is one of the most important aspects of orthodontic treatments. Prolonged halogen light curing for bonding of brackets is undesirable, so the purpose of this study was to compare the shear bond strength of brackets bonded with halogen light and plasma arc system. MATERIALS AND MEHODS: This was an experimental in vitro study. A total of 60 intact premolar teeth were collected and divided into four groups. Stainless steel orthodontic brackets were bonded to them. In groups 1 and 2, curing was done using halogen light given for 20 seconds from two and four angles. In groups 3 and 4, curing was carried out using the plasma arc system for 6 seconds from two and four angles. The shear bond strength was recorded by Instron. The statistics of ANOVA, Tukey's test, and T-test were used in data analysis. There was a statistically significant difference in shear bond strength among the four groups (P = 0.043) and between group 1 with group 2 (P = 0.035). Yet, there was no statistically significant difference between brackets bonded with plasma arc and those bonded with halogen light or between the two groups of plasma arc. Using the plasma arc system is superior to other methods due to reduced curing time. Also, since in using the halogen light system, an increase in curing periods from different angles resulted in a significant increase in shear bond strength; it is advisable to apply the halogen light from different angles.

  17. Estimations of the thermodynamic properties of halogenated benzenes as they relate to their environment mobility.

    Science.gov (United States)

    Monte, Manuel J S; Almeida, Ana R R P

    2017-12-01

    In this work, several simple new equations for predicting important environmental mobility properties, at T = 298.15 K, were derived for halogenated benzenes: standard Gibbs energy of hydration, aqueous solubility, octanol-water partition coefficients, and Henry's law constants. A discussion on our previous estimates of other related properties (standard Gibbs energy and vapor pressure of sublimation and of vaporization) and their relation with entropy of fusion is also presented. As we aimed to estimate these properties for any of the ca. 1500 halogenated benzenes that may exist theoretically, an equation for estimating the temperature of fusion was also derived, since some of the proposed predictive equations (solubility of solids and Gibbs energy of sublimation) require its knowledge. For the other estimated properties just the number of each halogen that replaces hydrogen atoms in the halogenated benzene is needed. It was found that the coefficients that multiply the number of halogen atoms in the predictive equations vary linearly with the volume of the halogen atom. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Influence of Halogen Substituents on the Catalytic Oxidation of 2,4,6-Halogenated Phenols by Fe(III)-Tetrakis(p-hydroxyphenyl) porphyrins and Potassium Monopersulfate

    OpenAIRE

    Seiya Nagao; Hideki Kuramitz; Qianqian Zhu; Shouhei Maeno; Masami Fukushima; Yusuke Mizutani

    2011-01-01

    The influence of halogen substituents on the catalytic oxidation of 2,4,6-trihalogenated phenols (TrXPs) by iron(III)-porphyrin/KHSO5 catalytic systems was investigated. Iron(III)-5,10,15,20-tetrakis(p-hydroxyphenyl)porphyrin (FeTHP) and its supported variants were employed, where the supported catalysts were synthesized by introducing FeTHP into hydroquinone-derived humic acids via formaldehyde poly-condensation. F (TrFP), Cl (TrCP), Br (TrBP) and I (TrIP) were examined as halogen substituen...

  19. Halogen light versus LED for bracket bonding: shear bond strength

    Directory of Open Access Journals (Sweden)

    Paulo Eduardo Guedes Carvalho

    2013-02-01

    Full Text Available INTRODUCTION: LED light-curing devices seek to provide a cold light activator which allows protocols of material polymerization with shorter duration. OBJECTIVE: The present study aimed to evaluate the shear bond strength of bracket bonding using three types of light-curing devices: One with halogen light (Optilight Plus - Gnatus and two with LEDs (Optilight CL - Gnatus and Elipar Freelight - 3M/ESPE. RESULTS: Comparing the results by analysis of variance, the Gnatus LED device showed an inferior statistical behavior in relation to other light sources, when activated by a short time. But, when it was used for 40 seconds, the polymerization results were consistent with the other evaluated sources. The device with the best average performance was the halogen light, followed by the 3M/ESPE LED. CONCLUSION: It was concluded that the LEDs may be indicated in orthodontic practice, as long as a protocol is used for the application of light with the activation time of 40 seconds.INTRODUÇÃO: os aparelhos de fotopolimerização por LED buscam proporcionar uma luz ativadora fria, que possibilite protocolos de polimerização do material com menor tempo de duração. OBJETIVO: avaliar a resistência à tração da colagem de braquetes, utilizando três tipos de aparelhos fotoativadores: um de luz halógena (Optilight Plus - Gnatus e outros dois de LED (Optilight CL - Gnatus; e Elipar Freelight - 3M/Espe. RESULTADOS: comparando os resultados por meio da análise de variância, o aparelho de LED Gnatus apresentou comportamento estatístico inferior em relação às outras fontes de luz, quando ativado por tempo reduzido. Já quando foi utilizado o tempo de 40 segundos, os resultados de polimerização foram compatíveis com as demais fontes avaliadas. O aparelho que apresentou melhor desempenho médio foi o de luz halógena, seguido pelo LED 3M/Espe. CONCLUSÃO: concluiu-se que os LEDs podem ser indicados na prática ortodôntica, uma vez que seja utilizado

  20. A Multi-Fork Z-Axis Quartz Micromachined Gyroscope

    Directory of Open Access Journals (Sweden)

    Aiying Yang

    2013-09-01

    Full Text Available A novel multi-fork z-axis gyroscope is presented in this paper. Different from traditional quartz gyroscopes, the lateral electrodes of the sense beam can be arranged in simple patterns; as a result, the fabrication is simplified. High sensitivity is achieved by the multi-fork design. The working principles are introduced, while the finite element method (FEM is used to simulate the modal and sensitivity. A quartz fork is fabricated, and a prototype is assembled. Impedance testing shows that the drive frequency and sense frequency are similar to the simulations, and the quality factor is approximately 10,000 in air. The scale factor is measured to be 18.134 mV/(°/s and the nonlinearity is 0.40% in a full-scale input range of ±250 °/s.

  1. A Multi-Fork Z-Axis Quartz Micromachined Gyroscope

    Science.gov (United States)

    Feng, Lihui; Zhao, Ke; Sun, Yunan; Cui, Jianmin; Cui, Fang; Yang, Aiying

    2013-01-01

    A novel multi-fork z-axis gyroscope is presented in this paper. Different from traditional quartz gyroscopes, the lateral electrodes of the sense beam can be arranged in simple patterns; as a result, the fabrication is simplified. High sensitivity is achieved by the multi-fork design. The working principles are introduced, while the finite element method (FEM) is used to simulate the modal and sensitivity. A quartz fork is fabricated, and a prototype is assembled. Impedance testing shows that the drive frequency and sense frequency are similar to the simulations, and the quality factor is approximately 10,000 in air. The scale factor is measured to be 18.134 mV/(°/s) and the nonlinearity is 0.40% in a full-scale input range of ±250 °/s. PMID:24048339

  2. New developments in THz quartz enhanced photoacoustic spectroscopy

    Science.gov (United States)

    Spagnolo, Vincenzo; Patimisco, Pietro; Sampaolo, Angelo; Giglio, Marilena; Vitiello, Miriam S.; Scamarcio, Gaetano; Tittel, Frank K.

    2016-09-01

    We will report on new developments of quartz-enhanced photo-acoustic (QEPAS) sensor employing THz quantum cascade laser (QCLs). The extension of the QEPAS technique in the THz range was made possible by the realization of custom made QTFs. With the aim to improve the QTF acousto-electric transduction efficiency, we designed and realized new QTF designs. A detailed analysis of the quality factor, the resonance frequency and the electrical resistance of custom quartz tuning forks (QTFs) with different geometrical parameters is reported. The custom QTFs were employed in QEPAS sensors using THz QCLs as the laser excitation sources and targeting CH3OH and H2S. Minimum detection limits of a few tens of ppb and normalized noise equivalent absorption factors down to 3.75×10-11 cm-1W/Hz½ were achieved.

  3. Improved Tuning Fork for Terahertz Quartz-Enhanced Photoacoustic Spectroscopy.

    Science.gov (United States)

    Sampaolo, Angelo; Patimisco, Pietro; Giglio, Marilena; Vitiello, Miriam S; Beere, Harvey E; Ritchie, David A; Scamarcio, Gaetano; Tittel, Frank K; Spagnolo, Vincenzo

    2016-03-25

    We report on a quartz-enhanced photoacoustic (QEPAS) sensor for methanol (CH₃OH) detection employing a novel quartz tuning fork (QTF), specifically designed to enhance the QEPAS sensing performance in the terahertz (THz) spectral range. A discussion of the QTF properties in terms of resonance frequency, quality factor and acousto-electric transduction efficiency as a function of prong sizes and spacing between the QTF prongs is presented. The QTF was employed in a QEPAS sensor system using a 3.93 THz quantum cascade laser as the excitation source in resonance with a CH₃OH rotational absorption line located at 131.054 cm(-1). A minimum detection limit of 160 ppb in 30 s integration time, corresponding to a normalized noise equivalent absorption NNEA = 3.75 × 10(-11) cm(-1)W/Hz(½), was achieved, representing a nearly one-order-of-magnitude improvement with respect to previous reports.

  4. Quartz-enhanced photoacoustic spectroscopy exploiting tuning fork overtone modes

    Science.gov (United States)

    Sampaolo, A.; Patimisco, P.; Dong, L.; Geras, A.; Scamarcio, G.; Starecki, T.; Tittel, F. K.; Spagnolo, V.

    2015-12-01

    We report on a quartz-enhanced photoacoustic sensor (QEPAS) based on a custom-made quartz tuning fork (QTF) to operate in both the fundamental and the first overtone vibrational mode resonances. The QTF fundamental mode resonance falls at ˜3 kHz and the first overtone at ˜18 kHz. Electrical tests showed that the first overtone provides a higher quality factor and increased piezoelectric current peak values, with respect to the fundamental flexural mode. To evaluate the QTF acousto-electric energy conversion efficiency, we operated the QEPAS in the near-IR and selected water vapor as the target gas. The first overtone resonance provides a QEPAS signal-to-noise ratio ˜5 times greater with respect to that measured for the fundamental mode. These results open the way to employing QTF overtone vibrational modes for QEPAS based trace gas sensing.

  5. Quartz tuning forks with novel geometries for optoacoustic gas sensing

    Science.gov (United States)

    Spagnolo, V.; Sampaolo, A.; Patimisco, P.; Dong, L.; Gupta, Y.; Yu, Y.; Geras, A.; Giglio, M.; Calabrese, P. P.; Starecki, T.; Scamarcio, G.; Tittel, Frank K.

    2016-02-01

    We report the successful realization of quartz-enhanced photo-acoustic (QEPAS) sensors employing quartz tuning forks (QTFs) with novel geometrical parameters. We investigated the influence of QTF sizes on the main resonator parameters, in order to identify the best design parameters optimizing the QTF figures of merit for optoacoustic gas sensing. To evaluate the QTF acousto-electric energy conversion efficiency, we operated the QEPAS sensors in the near- IR and selected water vapor as the target gas. QTFs are forced to resonate at both the fundamental and the first overtone vibrational mode frequencies. Our results shows that two QTF designs exhibit an higher quality factor (and consequently an higher QEPAS signal) when operating on the first overtone mode with respect to the fundamental one.

  6. Characterization of authigenic idiomorphous lignite and saliniferous quartz crystals by inclusion studies

    Energy Technology Data Exchange (ETDEWEB)

    Fruth, M.; Blankenburg, H.J.

    1992-12-01

    Classic microthermometry has been carried out on gas-fluid-inclusions in euhedral quartz crystals in a lignite at open cast mines Espenhain, Zwenkau and Cospuden to the south of Leipzig (called lignite quartz crystals and stub quartz crystals) and in a Stassfurt seam at the Southern Harz Potasch area (called saliniferous quartz crystals). The inclusions are classified after their shape homogenization temperatures and content of the solutions. 1. The isolated gas-fluid- and gas-fluid-solid-inclusions, with a regular shape are found in lignite quartz crystals and in saliniferous quartz crystals which probably formed in carnallitic saltrocks and kieseritic 'Hartsalz'. The inclusions of stub quartz crystals and the other saliniferous quartzes investigated are characterized by irregular thin shape. 2. By the aid of thermometry stub quartz crystals are classified into two quartz generations. The homogenization temperatures of gas-fluid-inclusions in lignite quartz crystals give a mean TH/F41[degree]C. The primary gas-fluid-inclusions of saliniferous quartz crystals can be distinguished such as: carnallitic saltrocks44[degree]C; kieseritic 'Hartsalz'76[degree]C; langbeinitic 'Hartsalz'85[degree]C; glaseritic 'Hartsalz'63[degree]C; polyhaliti 'Hartsalz'71[degree]C; anhydritic 'Hartsalz'61[degree]C; impoverishment44[degree]C. 3. Both generations of stub quartz crystals contain in their gas-fluid-inclusions NaCl-solutions. Highly saline MgCL[sub 2]-solutions were trapped in euhedral quartz crytals selected from lignite directly. The primary gas-fluid-inclusions of saliniferous quartz crystals accumulated highly saline CaCl[sub 2]/MgCl[sub 2]-solutions.

  7. Evaluation of the approach to respirable quartz exposure control in U.S. coal mines.

    Science.gov (United States)

    Joy, Gerald J

    2012-01-01

    Occupational exposure to high levels of respirable quartz can result in respiratory and other diseases in humans. The Mine Safety and Health Adminstration (MSHA) regulates exposure to respirable quartz in coal mines indirectly through reductions in the respirable coal mine dust exposure limit based on the content of quartz in the airborne respirable dust. This reduction is implemented when the quartz content of airborne respirable dust exceeds 5% by weight. The intent of this dust standard reduction is to restrict miners' exposure to respirable quartz to a time-weighted average concentration of 100 μg/m(3). The effectiveness of this indirect approach to control quartz exposure was evaluated by analyzing respirable dust samples collected by MSHA inspectors from 1995 through 2008. The performance of the current regulatory approach was found to be lacking due to the use of a variable property-quartz content in airborne dust-to establish a standard for subsequent exposures. In one situation, 11.7% (4370/37,346) of samples that were below the applicable respirable coal mine dust exposure limit exceeded 100 μg/m(3) quartz. In a second situation, 4.4% (895/20,560) of samples with 5% or less quartz content in the airborne respirable dust exceeded 100 μg/m(3) quartz. In these two situations, the samples exceeding 100 μg/m(3) quartz were not subject to any potential compliance action. Therefore, the current respirable quartz exposure control approach does not reliably maintain miner exposure below 100 μg/m(3) quartz. A separate and specific respirable quartz exposure standard may improve control of coal miners' occupational exposure to respirable quartz.

  8. Fluid inclusions in quartz crystals from South-West Africa.

    Science.gov (United States)

    Kvenvolden, K. A.; Roedder, E.

    1971-01-01

    Quartz crystals from calcite veins of unknown age in Precambrian metasedimentary rocks at Geiaus No. 6 and Aukam farms in South-West Africa contain both primary and secondary inclusions filled with one substance or a combination of substances. These substances include organic liquid, moderately saline aqueous liquid, dark-colored solid, and a vapor. Analysis of these materials by microscopy and by gas chromatography and mass spectrometry shows the presence of constituents of both low and high molecular weights.

  9. Symmetry and piezoelectricity: evaluation of α-quartz coefficients

    Science.gov (United States)

    Tannous, C.

    2017-11-01

    Piezoelectric coefficients of α-quartz are derived from symmetry arguments based on Neumann’s principle using three different methods: Fumi, Landau-Lifshitz and Royer-Dieulesaint. While the Fumi method is tedious and the Landau-Lifshitz method requires additional physical principles to evaluate the piezoelectric coefficients, the Royer-Dieulesaint method is the most elegant and most efficient of the three techniques.

  10. Ablative and mechanical properties of quartz phenolic composites

    OpenAIRE

    Maria L. Gregori; Edson A. Barros; Gilberto P. Filho; Luiz Cláudio Pardini; Sonia F. Costa

    2009-01-01

    Abstract. Quartz phenolic composites have been applied to thermal protection systems (TPSs) for reentry vehicles since the late fifties due to their excellent ablative resistance and mechanical performance. TPSs must withstand the aggressive reentry environment, such as atomic oxygen, when submitted to very high temperatures (> 1000° C) and heat flux. The ablative performance of composites is influenced by both base materiais and environmental parameters during the ablation process. For TPS s...

  11. Halogen bonding: A new retention mechanism for the solid phase extraction of perfluorinated iodoalkanes

    Energy Technology Data Exchange (ETDEWEB)

    Yan Xiaoqing; Shen Qianjin; Zhao Xiaoran; Gao Haiyue; Pang Xue [College of Chemistry, Beijing Normal University, Beijing 100875 (China); Jin Weijun, E-mail: wjjin@bnu.edu.cn [College of Chemistry, Beijing Normal University, Beijing 100875 (China)

    2012-11-13

    Highlights: Black-Right-Pointing-Pointer Halogen bonding (XB) is firstly utilised in solid phase extraction. Black-Right-Pointing-Pointer The perfluorinated iodine alkanes can be extracted by C-I Midline-Horizontal-Ellipsis Cl{sup -} halogen bonding. Black-Right-Pointing-Pointer The C-I Midline-Horizontal-Ellipsis Cl{sup -} halogen bond is well characterised by spectroscopy methods. Black-Right-Pointing-Pointer The analytes with strong halogen-bonding abilities can be selectively extracted. - Abstract: For the first time, halogen-bonding interaction is utilised in the solid phase extraction of perfluorinated iodoalkane (PFI). Nine PFIs, as model analytes, were tested, and analyses by UV, {sup 19}F NMR and Raman spectroscopies demonstrate that the PFIs are extracted by a strong anion exchange (SAX) sorbent from n-hexane due to the C-I Midline-Horizontal-Ellipsis Cl{sup -} halogen-bonding interactions. The results also show that the adsorptivities of SAX for the diiodoperfluoro-alkanes (diiodo-PFIs) were much stronger than those for the perfluoroalkyl iodides (monoiodo-PFIs). Specifically, the recoveries for 1,6-diiodoperfluorohexane and 1,8-diiodoperfluorooctane were higher than 80% when 100 mL of sample spiked with a 5 ng mL{sup -1} analyte mixture was extracted. Interestingly, SAX had no adsorption for hexafluorobenzene at all, which is known to be unable to form a halogen bond with Cl{sup -}. The analytical performance of the halogen bond-based SPE-GC-MS method for the diiodo-PFIs was also examined in soil samples. The sorbent SAX enabled the selective extraction of four diiodo-PFIs successfully from soil samples. The recoveries of the diiodo-PFIs extracted from 5 g soil sample at the 100 ng g{sup -1} spike level were in the range of 73.2-93.8% except 26.8% for 1,2-diiodoperfluoroethane. The limit of detection varied from 0.02 to 0.04 ng g{sup -1} in soil samples. Overall, this work reveals the great application potential of halogen bonding in the field of solid

  12. Improved electron probe microanalysis of trace elements in quartz

    Science.gov (United States)

    Donovan, John J.; Lowers, Heather; Rusk, Brian G.

    2011-01-01

    Quartz occurs in a wide range of geologic environments throughout the Earth's crust. The concentration and distribution of trace elements in quartz provide information such as temperature and other physical conditions of formation. Trace element analyses with modern electron-probe microanalysis (EPMA) instruments can achieve 99% confidence detection of ~100 ppm with fairly minimal effort for many elements in samples of low to moderate average atomic number such as many common oxides and silicates. However, trace element measurements below 100 ppm in many materials are limited, not only by the precision of the background measurement, but also by the accuracy with which background levels are determined. A new "blank" correction algorithm has been developed and tested on both Cameca and JEOL instruments, which applies a quantitative correction to the emitted X-ray intensities during the iteration of the sample matrix correction based on a zero level (or known trace) abundance calibration standard. This iterated blank correction, when combined with improved background fit models, and an "aggregate" intensity calculation utilizing multiple spectrometer intensities in software for greater geometric efficiency, yields a detection limit of 2 to 3 ppm for Ti and 6 to 7 ppm for Al in quartz at 99% t-test confidence with similar levels for absolute accuracy.

  13. Investigation of formaldehyde interaction with carbon nanotubes and quartz sand

    Science.gov (United States)

    Georgopoulou, Maria P.; Chrysikopoulos, Constantinos V.

    2017-04-01

    Assessment of the potential impact of synthetic carbon nanotubes on the fate and transport of common chemical contaminants (pesticides, pharmaceuticals, etc.) in groundwater systems is considered to be an increasingly important aspect of environmental research. This study investigates the interaction of formaldehyde with multi-walled carbon nanotubes (MWCNTs) and quartz sand under static and dynamic conditions. Due to polarity, formaldehyde, is expected to develop strong adsorptive interactions with carbon nanotubes. Several batch adsorption experiments were conducted in test tubes, under controlled conditions. Various initial formaldehyde solution concentration (2, 5, 8 ppm), contact times, and temperatures (8, 18, 25 °C) were considered. Supernatant liquid samples were collected at regular intervals, and centrifuged. Subsequently, the formaldehyde concentration in the supernatant was quantified indirectly, by derivatization with Nash reagent and subsequent measurement of the resulting complex using spectrophotometry in the visible spectral range. Experimental results suggested that formaldehyde has a low affinity for quartz sand, but an enhanced potential for adsorption onto carbon nanotubes. Formaldehyde adsorption onto both absorbents (quartz sand and MWCNTs) was more pronounced under dynamic than static conditions, probably, because agitation improves the mixing of the absorbent within the solution. Also, it was shown that the adsorption data were adequately described by the pseudo-second order kinetic model, suggesting that the primary adsorption mechanism was chemisorption, where two or more (sequential or parallel) processes (e.g. surface chemisorption, intraparticle diffusion) were taking place. Therefore, MWCNTs could be promising adsorbent materials for groundwater remediation.

  14. Next Generation AT-Cut Quartz Crystal Sensing Devices

    Directory of Open Access Journals (Sweden)

    Vojko Matko

    2011-04-01

    Full Text Available Generally, AT-cut quartz crystals have a limited scope of use when it comes to high-precision measurement of very small impedance changes due to their nonlinear frequency-temperature characteristics in the range between 0 °C and 50 °C. The new method improving quartz oscillator frequency-temperature characteristic compensation is switching between two impedance loads. By modifying the oscillator circuit with two logic switches and two impedance loads, the oscillator can switch oscillation between two resonance frequencies. The difference in resonance frequencies compensates the frequency-temperature characteristics influence as well as the influence of offset and quartz crystal ageing. The experimental results show that the new approach using the switching method highly improves second-to-second frequency stability from ±0.125 Hz to ±0.00001 Hz and minute-to-minute frequency stability from 0.1 Hz to 0.0001 Hz, which makes the high-precision measurement of aF and fH changes possible.

  15. Next Generation AT-Cut Quartz Crystal Sensing Devices

    Science.gov (United States)

    Matko, Vojko

    2011-01-01

    Generally, AT-cut quartz crystals have a limited scope of use when it comes to high-precision measurement of very small impedance changes due to their nonlinear frequency-temperature characteristics in the range between 0 °C and 50 °C. The new method improving quartz oscillator frequency-temperature characteristic compensation is switching between two impedance loads. By modifying the oscillator circuit with two logic switches and two impedance loads, the oscillator can switch oscillation between two resonance frequencies. The difference in resonance frequencies compensates the frequency-temperature characteristics influence as well as the influence of offset and quartz crystal ageing. The experimental results show that the new approach using the switching method highly improves second-to-second frequency stability from ±0.125 Hz to ±0.00001 Hz and minute-to-minute frequency stability from 0.1 Hz to 0.0001 Hz, which makes the high-precision measurement of aF and fH changes possible. PMID:22163858

  16. Voltage-controlled narrowband and wide, variable-range four-segment quartz crystal oscillator.

    Science.gov (United States)

    Ruslan, Ruzaini; Satoh, Tomio; Akitsu, Tetsuya

    2012-03-01

    In this work, our goal is to develop a voltage-controlled variable-frequency quartz crystal oscillator with narrowband response, wide, variable frequency range and the capacity to oscillate across the series resonance frequency using a four-segment configuration of a quartz crystal oscillator. In conventional quartz oscillators, the quartz resonator is inserted in the feedback loop between the input and the output of the active circuit, providing sufficient gain and the phase relation. In the oscillator developed here, the quartz crystal resonator is inserted between the loop circuit and the ground potential. The performance of the voltage-controlled variable-frequency oscillator is demonstrated across the series resonance frequency.

  17. Rotational Spectra of Halogenated Ethers Used as Volatile Anaesthetics

    Science.gov (United States)

    Vega-Toribio, Alicia; Lesarri, Alberto; Suenram, Richard D.; Grabow, Jens-Uwe

    2009-06-01

    Following previous microwave investigations by Suenram et al., we will report on the rotational spectrum of several halogenated ethers used as volatile anaesthetics, including sevoflurane ((CF_3)_2CH-O-CH_2F), isoflurane (CF_3CHCl-O-CHF_2), enflurane (CHFClCF_2-O-CHF_2) and methoxyflurane (CHCl_2CF_2-O-CH_3). This study has been conducted in the 6-18 GHz centimetre-wave region using Balle-Flygare-type FT-microwave spectroscopy. The results will include the analysis of the rotational spectra of minor species in natural abundance (^{13}C and ^{18}O in some cases), structural calculations and auxiliary ab initio modelling. The conformational and structural conclusions will be compared with previous gas-phase electron diffraction and solid-state X-ray diffraction analysis. R. D. Suenram, D. J. Brugh, F. J. Lovas and C. Chu, 51st OSU Int. Symp. On Mol. Spectrosc., Columbus, OH, 1999, RB07

  18. Modification of halogen specificity of a vanadium-dependent bromoperoxidase.

    Science.gov (United States)

    Ohshiro, Takashi; Littlechild, Jennifer; Garcia-Rodriguez, Esther; Isupov, Michail N; Iida, Yasuaki; Kobayashi, Takushi; Izumi, Yoshikazu

    2004-06-01

    The halide specificity of vanadium-dependent bromoperoxidase (BPO) from the marine algae, Corallina pilulifera, has been changed by a single amino acid substitution. The residue R397 has been substituted by the other 19 amino acids. The mutant enzymes R397W and R397F showed significant chloroperoxidase (CPO) activity as well as BPO activity. These mutant enzymes were purified and their properties were investigated. The maximal velocities of CPO activities of the R397W and R397F enzymes were 31.2 and 39.2 units/mg, and the K(m) values for Cl(-) were 780 mM and 670 mM, respectively. Unlike the native enzyme, both mutant enzymes were inhibited by NaN(3). In the case of the R397W enzyme, the incorporation rate of vanadate into the active site was low, compared with the R397F and the wild-type enzyme. These results supported the existence of a specific halogen binding site within the catalytic cleft of vanadium haloperoxidases.

  19. Modeling cooperative effects in halogen-bonded infinite linear chains.

    Science.gov (United States)

    Adasme-Carreño, Francisco; Alzate-Morales, Jans; Ireta, Joel

    2017-07-19

    Non-additivity in noncovalent interactions is an important aspect of complex systems that can lead to stronger (cooperative) interactions when three or more molecular units influence each other. The halogen bond (XB) is a highly-directional noncovalent interaction that has been found to be cooperative. Here the strength and nature of cooperativity arising in X-bonded infinite linear chains of cyanogen halides and 4-halopyridines are investigated by means of density functional theory calculations. It is found that cyanogen halide chains are highly cooperative (up to 77%), whereas pyridines are only slightly cooperative (below 21%). It is demonstrated that XB and its non-additivity can be modeled as the sum of a local term, which depends on first nearest-neighbors only, and long-range effective dipole-dipole attractions. It is shown that the local term in cyanogen halides primarily accounts for repulsive short-range screened Coulomb interactions, whereas in 4-halopyridines such a term also includes attractive contributions, which are particularly sizeable in some elongated XB conformations. This outcome reveals differences in the nature of the XBs formed in these molecular systems. Nevertheless, it is shown that both systems behave as effective point dipoles regarding cooperative effects, at any point of the XB dissociation path. As such, these results are useful contributions for the understanding and modeling of non-additive effects of noncovalent interactions.

  20. Designer Metallic Acceptor-Containing Halogen Bonds: General Strategies.

    Science.gov (United States)

    Zhang, Xinxing; Bowen, Kit

    2017-04-24

    Being electrostatic interactions in nature, hydrogen bonding (HB) and halogen bonding (XB) are considered to be two parallel worlds. In principle, all the applications that HB have could also be applied to XB. However, there has been no report on an anionic, metallic XB acceptor, but metal anions have been observed to be good HB acceptors. This missing mosaic piece of XB theory is because common metal anions are reactive for XB donors. In view of this, two strategies are proposed for designing metallic acceptor-containing XB using ab initio calculations. The first one is to utilize a metal cluster anion with a high electron detachment energy, such as the superatom, Al13- as the XB acceptor. The second strategy is to design a ligand-passivated/protected metal core that can maintain the negative charge; several exotic clusters, such as PtH5- , PtZnH5- , and PtMgH5- , are used as examples. Based on these two strategies, it is anticipated that more metallic acceptor-containing XBs will be discovered. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Sea ice dynamics influence halogen deposition to Svalbard

    Directory of Open Access Journals (Sweden)

    A. Spolaor

    2013-10-01

    Full Text Available Sea ice is an important parameter in the climate system and its changes impact upon the polar albedo and atmospheric and oceanic circulation. Iodine (I and bromine (Br have been measured in a shallow firn core drilled at the summit of the Holtedahlfonna glacier (Northwest Spitsbergen, Svalbard. Changing I concentrations can be linked to the March–May maximum sea ice extension. Bromine enrichment, indexed to the Br / Na sea water mass ratio, appears to be influenced by changes in the seasonal sea ice area. I is emitted from marine biota and so the retreat of March–May sea ice coincides with enlargement of the open-ocean surface which enhances marine primary production and consequent I emission. The observed Br enrichment could be explained by greater Br emissions during the Br explosions that have been observed to occur mainly above first year sea ice during the early springtime. In this work we present the first comparison between halogens in surface snow and Arctic sea ice extension. Although further investigation is required to characterize potential depositional and post-depositional processes, these preliminary findings suggest that I and Br can be linked to variability in the spring maximum sea ice extension and seasonal sea ice surface area.

  2. Identification and quantification of the halogenated natural product BC-3

    Energy Technology Data Exchange (ETDEWEB)

    Melcher, J.; Olbrich, D.; Vetter, W. [Hohenheim Univ., Stuttgart (Germany). Inst. fuer Lebensmittelchemie; Marsh, G. [Stockholm Univ. (Sweden). Dept. of Environmental Chemistry; Gaus, C.; Mueller, J.F. [National Research Centre for Environmental Toxicology, Coopers Plains (Australia)

    2004-09-15

    Halogenated natural products (HNPs) of marine origin are increasingly recognized as critical residues in foodstuff (e. g. fish) and environmental samples (e. g. marine mammals and birds). Some of these HNPs (Q1, MHC-1, BC-2, and HDBPs including BC-10) were detected in diverse fish and marine mammal samples at concentrations sometimes exceeding those of PCBs, DDT, and other anthropogenic pollutants. Recent studies with marine mammal samples from Australia led to the detection of six abundant HNPs (Q1, BC-1, BC-2, BC-3, BC-10, and BC-11). In the meantime, Q1 was identified as heptachloro-1{sup '}-methyl-1,2{sup '}-bipyrrole, BC-2 as 4,6-dibromo-2-(2{sup '},4{sup '}-dibromo)phenoxyanisole, BC- 10 as 1,1{sup '}-dimethyl-3,3{sup '},4,4{sup '}-tetrabromo-5,5{sup '}-dichloro-2,2{sup '}-bipyrrole, and BC-11 as 3,5-dibromo- 2-(3{sup '},5{sup '}-dibromo,2{sup '}-methoxy)phenoxyanisole. However the identity of BC-1 and BC-3 remained unclear. The goal of the present study was the identification of BC-3. The tetrabromo compound BC-3 has previously been detected in marine mammals from four continents. Furthermore, we attempted establishing quantitative concentrations in diverse marine biota samples.

  3. Nephrotoxicity of halogenated alkenyl cysteine-S-conjugates

    Energy Technology Data Exchange (ETDEWEB)

    Nagelkerke, J.F.; Boogaard, P.J. (Univ. of Leiden (Netherlands))

    1991-01-01

    In 1916 a relationship was postulated between the occurrence of aplastic anemia in cattle and the soy bean meal that they had been fed, which had been extracted with trichloroethylene. The toxic compound was later identified as S-(1,2-dichlorovinyl)-L-cysteine (DCV-Cys). In addition to effects on the hemopoietic system it also produced nephrotoxicity in calves. In rats only renal tubular necrosis was found. Further research demonstrated that other halogenated hydrocarbons produced similar nephrotoxicity. The haloalkenyl cysteine-S-conjugates (Cys-D-conjugates) have extensively been studied; this has provided new insight into the biochemical processes that lead to nephrotoxicity. It has been shown that a combination of transport processes and specific metabolic pathways, resulting in reactive intermediates that bind to cellular macromolecules, makes the kidney vulnerable to the noxious effects of the haloakenyl Cys-S-conjugates. The first part of this review gives a brief overview of the bioactivation of the haloalkenes; in the second part the present knowledge of the underlying mechanisms of cytotoxicity is outlined.

  4. Sorption Properties of Halogen Containing Graphene Oxide Frameworks

    Science.gov (United States)

    Burress, Jacob; Baker, Elizabeth; Bethea, Donald; Frangos, Katherine

    Physisorption of gases has applications in gas storage (e.g. methane, hydrogen for vehicles) and gas separation (carbon dioxide from flue gas). The van der Waals force in narrow pores is strong enough to condense even supercritical gases to much higher densities. Additionally, differences in the binding energy between different gases and the sorbent surface are sufficient to for gas separations. Beyond adsorption interactions, simple steric (size, shape) effects also play a role in gas separations. One class of materials currently being investigated for numerous gas storage/separation applications is graphene oxide frameworks (GOFs). GOFs consist of layers of graphene/graphene oxide separated by chemical linkers covalently bonded on both sides. This presentation will give results from boronic acid-based GOFs that contain halogen group elements. Effects of different linkers on pore shape will be presented. Physical behavior of the gases investigated (hydrogen, methane, carbon dioxide, nitrogen), including binding energies and steric effects for gas separation will also be presented. The physics mechanism behind pore breathing (expansion and contraction of pore volume) in these materials will be discussed.

  5. Carbon in intimate contact with quartz reduces the biological activity of crystalline silica dusts.

    Science.gov (United States)

    Ghiazza, Mara; Tomatis, Maura; Doublier, Sophie; Grendene, Francesca; Gazzano, Elena; Ghigo, Dario; Fubini, Bice

    2013-01-18

    To evaluate the effect of carbonaceous materials on the pathogenic activity of quartz dusts, mixtures of carbon soot (1 and 10%) and quartz (Min-U-Sil) were prepared and then milled so to attain an intimate association of carbon and the quartz surface. Both cellular and cell-free tests show that carbon associated to quartz completely inhibits the typical free radical generation of quartz dusts (through Fenton activity and homolytic cleavage of a C-H bond) and suppresses the oxidative stress and inflammation induced by quartz alone on MH-S murine macrophage cells (lipid peroxidation, nitric oxide release, and tumor necrosis factor-α synthesis). The cytotoxic response to quartz is also largely reduced. An extremely pure quartz milled with 10% of soot showed inactivating effects on the adverse reactions to quartz similar to Min-U-Sil quartz. None of these effects takes place when the same experiments are carried out with mechanically mixed samples, which suggests that carbon acts not just as a radical quencher but because of its association to the quartz surface.

  6. The effect of quartz on the flotation of pyrite depressed by serpentine

    Directory of Open Access Journals (Sweden)

    Bo Feng

    2015-01-01

    Full Text Available The effect of quartz particles on the flotation of pyrite depressed by serpentine has been investigated through flotation tests, adsorption tests, zeta potential measurements and DLVO calculation. The results show that the presence of hydrophilic serpentine slimes on pyrite surface reduces collector adsorption and results in lower recovery of pyrite. The finer the serpentine slime is, the lower the pyrite recovery will be. Quartz particles do not interfere with pyrite flotation. However, the addition of quartz particles increases the adsorption of collector on pyrite surface and limits the detrimental effect of serpentine on pyrite flotation. The fine-grained quartz is more effective. Zeta potential measurements and DLVO calculation illustrate that the zeta potential of quartz is more negative than that of pyrite and the attraction force between serpentine and quartz is stronger than force between serpentine and pyrite, thus some serpentine slimes were transferred from pyrite surface to quartz in the process of attrition.

  7. ASCORBIC ACID TREATMENT TO REDUCE RESIDUAL HALOGEN-BASED OXIDANTS PRIOR TO THE DETERMINATION OF HALOGENATED DISINFECTION BYPRODUCTS IN POTABLE WATER

    Science.gov (United States)

    Treatment of potable water samples with ascorbic acid has been investigated as a means for reducing residual halogen-based oxidants (disinfectants)i.e., HOCl, Cl2, Brw and BrCl, prior to determination of EPA Method 551.1A and 551.1B analytes. These disinfection byproducts include...

  8. Experimental deformation in sandstone, carbonates and quartz aggregate

    Energy Technology Data Exchange (ETDEWEB)

    Cheung, Cecilia See Nga [Stony Brook Univ., NY (United States)

    2015-05-01

    The first part of my thesis is mainly focused on the effect of grain size distribution on compaction localization in porous sandstone. To identify the microstructural parameters that influence compaction band formation, I conducted a systematic study of mechanical deformation, failure mode and microstructural evolution in Bleurswiller and Boise sandstones, of similar porosity (~25%) and mineralogy but different sorting. Discrete compaction bands were observed to develop over a wide range of pressure in the Bleurswiller sandstone that has a relatively uniform grain size distribution. In contrast, compaction localization was not observed in the poorly sorted Boise sandstone. My results demonstrate that grain size distribution exerts important influence on compaction band development, in agreement with recently published data from Valley of Fire and Buckskin Gulch, as well as numerical studies. The second part aimed to improve current knowledge on inelastic behavior, failure mode and brittle-ductile transition in another sedimentary rock, porous carbonates. A micritic Tavel (porosity of ~13%) and an allochemical Indiana (~18%) limestones were deformed under compaction in wet and dry conditions. At lower confining pressures, shear localization occurred in brittle faulting regime. Through transitional regime, the deformation switched to cataclastic flow regime at higher confining pressure. Specifically in the cataclastic regime, the (dry and wet) Tavel and dry Indiana failed by distributed cataclastic flow, while in contrast, wet Indiana failed as compaction localization. My results demonstrate that different failure modes and mechanical behaviors under different deformation regimes and water saturation are fundamental prior to any geophysical application in porous carbonates. The third part aimed to focus on investigating compaction on quartz aggregate starting at low (MPa) using X-ray diffraction. We report the diffraction peak evolution of quartz with increasing

  9. Amplifier Module for 260-GHz Band Using Quartz Waveguide Transitions

    Science.gov (United States)

    Padmanabhan, Sharmila; Fung, King Man; Kangaslahti, Pekka P.; Peralta, Alejandro; Soria, Mary M.; Pukala, David M.; Sin, Seth; Samoska, Lorene A.; Sarkozy, Stephen; Lai, Richard

    2012-01-01

    Packaging of MMIC LNA (monolithic microwave integrated circuit low-noise amplifier) chips at frequencies over 200 GHz has always been problematic due to the high loss in the transition between the MMIC chip and the waveguide medium in which the chip will typically be used. In addition, above 200 GHz, wire-bond inductance between the LNA and the waveguide can severely limit the RF matching and bandwidth of the final waveguide amplifier module. This work resulted in the development of a low-loss quartz waveguide transition that includes a capacitive transmission line between the MMIC and the waveguide probe element. This capacitive transmission line tunes out the wirebond inductance (where the wire-bond is required to bond between the MMIC and the probe element). This inductance can severely limit the RF matching and bandwidth of the final waveguide amplifier module. The amplifier module consists of a quartz E-plane waveguide probe transition, a short capacitive tuning element, a short wire-bond to the MMIC, and the MMIC LNA. The output structure is similar, with a short wire-bond at the output of the MMIC, a quartz E-plane waveguide probe transition, and the output waveguide. The quartz probe element is made of 3-mil quartz, which is the thinnest commercially available material. The waveguide band used is WR4, from 170 to 260 GHz. This new transition and block design is an improvement over prior art because it provides for better RF matching, and will likely yield lower loss and better noise figure. The development of high-performance, low-noise amplifiers in the 180-to- 700-GHz range has applications for future earth science and planetary instruments with low power and volume, and astrophysics array instruments for molecular spectroscopy. This frequency band, while suitable for homeland security and commercial applications (such as millimeter-wave imaging, hidden weapons detection, crowd scanning, airport security, and communications), also has applications to

  10. Mineralogy, morphology, and textural relationships in coatings on quartz grains in sediments in a quartz-sand aquifer

    Science.gov (United States)

    Zhang, Shouliang; Kent, Douglas B.; Elbert, David C.; Shi, Zhi; Davis, James A.; Veblen, David R.

    2011-01-01

    Mineralogical studies of coatings on quartz grains and bulk sediments from an aquifer on Western Cape Cod, Massachusetts, USA were carried out using a variety of transmission electron microscopy (TEM) techniques. Previous studies demonstrated that coatings on quartz grains control the adsorption properties of these sediments. Samples for TEM characterization were made by a gentle mechanical grinding method and focused ion beam (FIB) milling. The former method can make abundant electron-transparent coating assemblages for comprehensive and quantitative X-ray analysis and the latter technique protects the coating texture from being destroyed. Characterization of the samples from both a pristine area and an area heavily impacted by wastewater discharge shows similar coating textures and chemical compositions. Major constituents of the coating include Al-substituted goethite and illite/chlorite clays. Goethite is aggregated into well-crystallized domains through oriented attachment resulting in increased porosity. Illite/chlorite clays with various chemical compositions were observed to be mixed with goethite aggregates and aligned sub-parallel to the associated quartz surface. The uniform spatial distribution of wastewater-derived phosphorus throughout the coating from the wastewater-contaminated site suggests that all of the coating constituents, including those adjacent to the quartz surface, are accessible to groundwater solutes. Both TEM characterization and chemical extraction results indicate there is a significantly greater amount of amorphous iron oxide in samples from wastewater discharge area compared to those from the pristine region, which might reflect the impact of redox cycling of iron under the wastewater-discharge area. Coating compositions are consistent with the moderate metal and oxy-metalloid adsorption capacities, low but significant cation exchange capacities, and control of iron(III) solubility by goethite observed in reactive transport

  11. Mineralogy, morphology, and textural relationships in coatings on quartz grains in sediments in a quartz-sand aquifer.

    Science.gov (United States)

    Zhang, Shouliang; Kent, Douglas B; Elbert, David C; Shi, Zhi; Davis, James A; Veblen, David R

    2011-06-01

    Mineralogical studies of coatings on quartz grains and bulk sediments from an aquifer on Western Cape Cod, Massachusetts, USA were carried out using a variety of transmission electron microscopy (TEM) techniques. Previous studies demonstrated that coatings on quartz grains control the adsorption properties of these sediments. Samples for TEM characterization were made by a gentle mechanical grinding method and focused ion beam (FIB) milling. The former method can make abundant electron-transparent coating assemblages for comprehensive and quantitative X-ray analysis and the latter technique protects the coating texture from being destroyed. Characterization of the samples from both a pristine area and an area heavily impacted by wastewater discharge shows similar coating textures and chemical compositions. Major constituents of the coating include Al-substituted goethite and illite/chlorite clays. Goethite is aggregated into well-crystallized domains through oriented attachment resulting in increased porosity. Illite/chlorite clays with various chemical compositions were observed to be mixed with goethite aggregates and aligned sub-parallel to the associated quartz surface. The uniform spatial distribution of wastewater-derived phosphorus throughout the coating from the wastewater-contaminated site suggests that all of the coating constituents, including those adjacent to the quartz surface, are accessible to groundwater solutes. Both TEM characterization and chemical extraction results indicate there is a significantly greater amount of amorphous iron oxide in samples from wastewater discharge area compared to those from the pristine region, which might reflect the impact of redox cycling of iron under the wastewater-discharge area. Coating compositions are consistent with the moderate metal and oxy-metalloid adsorption capacities, low but significant cation exchange capacities, and control of iron(III) solubility by goethite observed in reactive transport

  12. Intermittent loading of teeth restored using quartz fiber, carbon-quartz fiber, and zirconium dioxide ceramic root canal posts.

    Science.gov (United States)

    Mannocci, F; Ferrari, M; Watson, T F

    1999-01-01

    The purpose of the investigation was to compare the performances of teeth restored with quartz fiber, carbon-quartz fiber, and zirconium-dioxide posts covered with all-ceramic crowns when subjected to a cyclic loading test performed in a wet environment. Forty single-rooted human lower premolars having similar dimensions were endodontically treated and mounted in acrylic resin blocks with a simulated periodontal ligament. The teeth were divided into three experimental groups and one control group. Post holes 8 mm long were prepared in the roots of the experimental groups in which quartz fiber, carbon-quartz fiber, and zirconium dioxide posts were cemented. In the control group, no posts were used. The crown buildup was made with composite resin. The teeth were covered with all-ceramic crowns and intermittently loaded at an angle of 45 degrees to the long axis of the tooth at a frequency of two loads per second. Only one failure (root fracture + post fracture) was observed in each of the fiber post groups, while in the zirconium dioxide post group, six failures were observed (one crown fracture and 5 root fractures + post fractures). The Kaplan-Meier analysis of the three experimental groups showed that the survival rate of zirconium dioxide posts was significantly lower than that of both types of fiber post. All the experimental groups showed a survival rate higher than that of the control group. Fiber posts reduced to a minimum the risk of root fractures of teeth restored with composite cores and Empress crowns under the present experimental conditions (intermittent loading in a wet environment).

  13. Boiling of simulated tap water: effect on polar brominated disinfection byproducts, halogen speciation, and cytotoxicity.

    Science.gov (United States)

    Pan, Yang; Zhang, Xiangru; Wagner, Elizabeth D; Osiol, Jennifer; Plewa, Michael J

    2014-01-01

    Tap water typically contains numerous halogenated disinfection byproducts (DBPs) as a result of disinfection, especially of chlorination. Among halogenated DBPs, brominated ones are generally significantly more toxic than their chlorinated analogues. In this study, with the aid of ultra performance liquid chromatography/electrospray ionization-triple quadrupole mass spectrometry by setting precursor ion scans of m/z 79/81, whole spectra of polar brominated DBPs in simulated tap water samples without and with boiling were revealed. Most polar brominated DBPs were thermally unstable and their levels were substantially reduced after boiling via decarboxylation or hydrolysis; the levels of a few aromatic brominated DBPs increased after boiling through decarboxylation of their precursors. A novel adsorption unit for volatile total organic halogen was designed, which enabled the evaluation of halogen speciation and mass balances in the simulated tap water samples during boiling. After boiling for 5 min, the overall level of brominated DBPs was reduced by 62.8%, of which 39.8% was volatilized and 23.0% was converted to bromide; the overall level of chlorinated DBPs was reduced by 61.1%, of which 44.4% was volatilized and 16.7% was converted to chloride; the overall level of halogenated DBPs was reduced by 62.3%. The simulated tap water sample without boiling was cytotoxic in a chronic (72 h) exposure to mammalian cells; this cytotoxicity was reduced by 76.9% after boiling for 5 min. The reduction in cytotoxicity corresponded with the reduction in overall halogenated DBPs. Thus, boiling of tap water can be regarded as a "detoxification" process and may reduce human exposure to halogenated DBPs through tap water ingestion.

  14. Antimicrobial photodynamic therapy using chlorin e6 with halogen light for acne bacteria-induced inflammation.

    Science.gov (United States)

    Jeon, Yu-Mi; Lee, Hwan-Suk; Jeong, Dongjun; Oh, Hae-Keun; Ra, Kyu-Hwan; Lee, Mi-Young

    2015-03-01

    The present study was designed to evaluate the therapeutic potential of antimicrobial photodynamic therapy (PDT) using chlorin e6 with halogen light against acne bacteria-induced inflammation. Highly purified chlorin e6 (Ce6), as a second generation photosensitizer, was synthesized from Spirulina chlorophyll. To evaluate the antimicrobial property of Ce6-mediated PDT with halogen light, the broth microdilution method and two-color fluorescence assay were used. The free radicals generated upon irradiating Ce6 with halogen light were measured using 2,7-dichlorofluorescin diacetate. Propionibacterium acnes was intradermally injected into the left ear of the ICR mice, and the anti-inflammatory effect of Ce6-mediated PDT with halogen light was measured by the histological examination. The expressions of cyclooxygenase-2 (COX-2), inducible nitric oxide synthase (iNOS) as well as pro-inflammatory cytokines were also measured by Western blotting. Chlorin e6-mediated PDT with halogen light (30,000 lx) inactivated various skin bacteria, including P. acnes in a dose-dependent manner. The MIC99 value against P. acnes (KCTC3314) of Ce6 with light was >0.49 μg/ml, whereas the MIC99 for Ce6 alone was >31.25 μg/ml. Ce6-mediated PDT suppressed the expression of P. acnes-induced pro-inflammatory cytokines and iNOS, but not COX-2 in a mouse model. This study showed a remarkable therapeutic effect of chlorin e6-mediated PDT with halogen light against P. acnes-induced inflammation. Our results suggest for the first time the potential of Ce6-mediated PDT with halogen light as a more effective and safer alternative treatment to antibiotic therapy against pathogenic infections of the skin. Copyright © 2015 Elsevier Inc. All rights reserved.

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

    Science.gov (United States)

    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.

  16. Formation of environmentally relevant polyhalogenated carbazoles from chloroperoxidase-catalyzed halogenation of carbazole.

    Science.gov (United States)

    Chen, Yanqiu; Lin, Kunde; Chen, Da; Wang, Kun; Zhou, Wenxiu; Wu, Yan; Huang, Xinwen

    2017-09-23

    Polyhalogenated carbazoles (PHCs) are a class of emerging organic contaminants that have received increasing concern due to their widespread distribution and dioxin-like toxicity. Although previous studies have suggested possible natural sources of PHCs in the environment, the formation pathways are poorly understood. Here we explored the production of PHCs from halogenation of carbazole in the presence of Br(-) and/or Cl(-) under the catalysis of chloroperoxidase (CPO) isolated from the marine fungus Caldariomyces fumago. Overall, a total of 25 congeners including mono-to tetra-substituted chlorinated, brominated, and mixed halogenated carbazoles (with substitution patterns of -BrCl, -BrCl2, -BrCl3, -Br2Cl, -Br2Cl2, and -Br3Cl) were produced from the reactions under various conditions. The PHC product profiles were apparently dependent on the halide concentrations. In the CPO-mediated chlorination of carbazole, 3-mono- and 3,6-dichlorocarbazoles predominated in the formation products. In addition to the less abundant mixed halogenated carbazoles (-Br2Cl), 1,3,6-tri- and 1,3,6,8-tetrabromocarbazoles were the dominant products in reactions containing both Br(-) and Cl(-). The CPO-catalyzed halogenation of carbazole could take place in pH 3-7, but the formation products were pH dependent. Results of this study suggest that CPO-catalyzed halogenation of carbazole may play an important role in the natural formation of PHCs. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

    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.

  18. The Behavior of Halogens Elements in the Early Solar System: Constraints from the Complex Record in Chondritic Meteorites

    Science.gov (United States)

    Brearley, A. J.; Jones, R. H.

    2016-12-01

    The volatile inventory of chondritic meteorites was established by a range of processes that occurred in circumstellar and interstellar environments, within the solar nebula, and after accretion within meteorite parent bodies. Among volatile elements, the halogens are of particular interest because, although they exhibit similar geochemical characteristics, they have a range of volatilities that control their cosmochemical behavior. Chondritic meteorites provide the opportunity to understand how halogens behaved during the earliest history of our solar system, including during condensation, CAI and chondrule formation in the protoplanetary disk, and during subsequent processing after accretion into asteroidal parent bodies by aqueous alteration, metamorphism and shock. Constraints on the halogen inventory of the terrestrial planets also requires a detailed knowledge of halogen abundances in chondritic meteorites. However, the full potential of halogens to constrain processes in the solar nebula and chondrite parent bodies has not yet been realized because of significant analytical challenges and uncertainties in halogen condensation temperatures. Nevertheless, although there are significant variations in the analytical data, it is clear that there are distinct differences between the three main classes of chondrites, carbonaceous, ordinary, and enstatite. In most chondrites, the abundances of the halogens are controlled by their cosmochemical volatility, and the halogens are depleted in most of the chondrite groups relative to CI chondrites. With the exception of the enstatite chondrites, the primary (nebular) mineralogical carriers of the halogens in the most pristine (type 3) carbonaceous and ordinary chondrites are poorly constrained, suggesting that they are incorporated at low concentrations into nebular phases. In aqueously-altered, petrologic type 1 and 2 meteorites, no distinct halogen-bearing phases have been identified. However, metamorphic processes

  19. Halogenated and organophosphorus flame retardants in European aquaculture samples.

    Science.gov (United States)

    Aznar-Alemany, Òscar; Aminot, Yann; Vilà-Cano, Judit; Köck-Schulmeyer, Marianne; Readman, James W; Marques, António; Godinho, Lia; Botteon, Elena; Ferrari, Federico; Boti, Vasiliki; Albanis, Triantafyllos; Eljarrat, Ethel; Barceló, Damià

    2018-01-15

    This work monitors flame retardants in sediment, mussel and water samples from European fish farms. Polybrominated diphenyl ethers (PBDEs) were detected in 95% of the sediment and mussel samples with mean levels of 8.60±22.6ngg -1 dw in sediments and 0.07±0.18ngg -1 dw in mussels. BDE-209 was the main contributor for the sediments and BDE-47 was found in about 60% of the samples of both matrices. Pentabromoethylbenzene (PBEB) and hexabromobenzene (HBB) were detected in 42% of the sediments, but not in mussels. Decabromodiphenyl ethane (DBDPE) was found in about 55% of the samples of both matrices. The same happened for dechloranes in mussels, but they were detected in 92% of the sediments. Syn-DP and anti-DP were always the main contributors. Methoxylated PBDEs (MeO-PBDEs) were detected in all mussels and some sediments, mainly 6-MeO-BDE-47 and 2'-MeO-BDE-68. Organophosphorus flame retardants (OPFRs) were found in all matrices with concentrations of 0.04-92.8ngg -1 dw in sediment, 0.50-102ngg -1 dw in mussel and 0.43-867ngl -1 in water. Only OPFRs were analysed in water samples as halogenated flame retardants and MeO-PBDEs are highly unlikely to be detected in water due to their physicochemical properties. Flame retardants have no application in fish farming so results should reflect the impact of human activity on the farm locations. A large majority of the most contaminated samples were collected from sampling spots that were at urban shores or in enclosed water bodies not completely open to the sea. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Halogenated flame retardants in bobcats from the midwestern United States.

    Science.gov (United States)

    Boyles, Esmarie; Tan, Hongli; Wu, Yan; Nielsen, Clayton K; Shen, Li; Reiner, Eric J; Chen, Da

    2017-02-01

    In response to the restrictions of polybrominated diphenyl ether (PBDE) flame retardants in various consumer products, alternative halogenated flame retardants have been subjected to increased use. Compared to aquatic ecosystems, relatively little information is available on the contamination of alternative flame retardants in terrestrial ecosystems, especially with regards to mammalian wildlife. In this study we used a top terrestrial carnivore, the bobcat (Lynx rufus), as a unique biomonitoring species for assessing flame retardant contamination in the Midwestern United States (U.S.) terrestrial ecosystems. Concentrations of ∑PBDEs (including all detectable PBDE congeners) ranged from 8.3 to 1920 ng/g lipid weight (median: 50.3 ng/g lw) in livers from 44 bobcats collected during 2013-2014 in Illinois. Among a variety of alternative flame retardants screened, Dechloranes (including anti- and syn-Dechlorane Plus and Dechlorane-602, 603, and 604), tetrabromo-o-chlorotoluene (TBCT), and hexabromocyclododecane (HBCD) were also frequently detected, with median concentrations of 28.7, 5.2, and 11.8 ng/g lw, respectively. Dechlorane analogue compositions in bobcats were different from what has been reported in other studies, suggesting species- or analogue-dependent bioaccumulation, biomagnification, or metabolism of Dechlorane chemicals in different food webs. Our findings, along with previously reported food web models, suggest Dechloranes may possess substantial bioaccumulation and biomagnification potencies in terrestrial mammalian food webs. Thus, attention should be given to these highly bioavailable flame retardants in future environmental biomonitoring and risk assessments in a post-PBDE era. Copyright © 2016. Published by Elsevier Ltd.

  1. Quartz dustiness: A key factor in controlling exposure to crystalline silica in the workplace.

    Science.gov (United States)

    López-Lilao, A; Escrig, A; Orts, M J; Mallol, Gustavo; Monfort, E

    2016-11-01

    The classification of Respirable Crystalline Silica (RCS) as carcinogenic for humans has drawn greater attention to crystalline silica exposure in the workplace in recent years, leading to recommendations by safety and health bodies in Europe and the U.S. for lower occupational exposure limits. In view of this new scenario, the present study examined quartz dustiness, as quartz handling is a major source of crystalline silica in the workplace. The study was conducted on test samples with different mean particle sizes, prepared from several commercial quartzes. The quartz particle samples were characterised and the influence of certain quartz particle parameters on quartz dustiness was determined. The results indicate that quartz dustiness may be significantly affected by mean particle size, specific surface area, the Hausner ratio, and fine particle content. The study shows that, in order to minimise the adverse health effects associated with the inhalation of crystalline silica, quartz dustiness may be deemed a key factor in controlling the generation of fugitive quartz emissions during quartz processing, both into the outside atmosphere (air pollution) and inside the facilities (occupational health).

  2. The adsorption of methyl methacrylate and vinyl acetate polymers on α-quartz surface: A molecular dynamics study

    Science.gov (United States)

    Yan, Lijing; Yang, Yan; Jiang, Hui; Zhang, Bingjian; Zhang, Hui

    2016-01-01

    The molecular dynamics simulation was used to investigate the adsorption of polymethyl methacrylate (PMMA) and polyvinyl acetate (PVA), the commonly used surface coating materials, on α-quartz surface. The objective is to understand the interactions between quartz surface and polymers. The results clearly show adsorption of both polymers onto the quartz surface. Carbonyl group plays a significant role in the adsorption process. The adsorption energies of PMMA and PVA on α-quartz surface did not show significant difference, however, more hydrogen bonds were observed on the PVA/quartz system than PMMA/quartz. These observations might offer some insights on the polymer-quartz adhesion and its failure mechanism.

  3. Thermal dependence of luminescence lifetimes and radioluminescence in quartz

    Energy Technology Data Exchange (ETDEWEB)

    Pagonis, V., E-mail: vpagonis@mcdaniel.edu [McDaniel College, Physics Department, Westminster, MD 21157 (United States); Chithambo, M.L. [Department of Physics and Electronics, Rhodes University, PO BOX 94, Grahamstown 6140 (South Africa); Chen, R. [Raymond and Beverly Sackler School of Physics and Astronomy, Tel-Aviv University, Tel-Aviv 69978 (Israel); Chruścińska, A. [Institute of Physics, Nicholas Copernicus University, 87-100 Toruń (Poland); Fasoli, M. [Department of Materials Science, University of Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Li, S.H. [Department of Earth Sciences, The University of Hong Kong (Hong Kong); Martini, M. [Department of Materials Science, University of Milano-Bicocca, Via Cozzi 53, 20125 Milano (Italy); Ramseyer, K. [Institut für Geologie, Baltzerstrasse 1-3, 3012 Bern (Switzerland)

    2014-01-15

    During time-resolved optical stimulation experiments (TR-OSL), one uses short light pulses to separate the stimulation and emission of luminescence in time. Experimental TR-OSL results show that the luminescence lifetime in quartz of sedimentary origin is independent of annealing temperature below 500 °C, but decreases monotonically thereafter. These results have been interpreted previously empirically on the basis of the existence of two separate luminescence centers L{sub H} and L{sub L} in quartz, each with its own distinct luminescence lifetime. Additional experimental evidence also supports the presence of a non-luminescent hole reservoir R, which plays a critical role in the predose effect in this material. This paper extends a recently published analytical model for thermal quenching in quartz, to include the two luminescence centers L{sub H} and L{sub L}, as well as the hole reservoir R. The new extended model involves localized electronic transitions between energy states within the two luminescence centers, and is described by a system of differential equations based on the Mott–Seitz mechanism of thermal quenching. It is shown that by using simplifying physical assumptions, one can obtain analytical solutions for the intensity of the light during a TR-OSL experiment carried out with previously annealed samples. These analytical expressions are found to be in good agreement with the numerical solutions of the equations. The results from the model are shown to be in quantitative agreement with published experimental data for commercially available quartz samples. Specifically the model describes the variation of the luminescence lifetimes with (a) annealing temperatures between room temperature and 900 °C, and (b) with stimulation temperatures between 20 and 200 °C. This paper also reports new radioluminescence (RL) measurements carried out using the same commercially available quartz samples. Gaussian deconvolution of the RL emission spectra was

  4. Ablative and mechanical properties of quartz phenolic composites

    Directory of Open Access Journals (Sweden)

    Maria L. Gregori

    2009-01-01

    Full Text Available Quartz phenolic composites have been applied to thermal protection systems (TPSs for reentry vehicles since the late fifties due to their excellent ablative resistance and mechanical performance. TPSs must withstand the aggressive reentry environment, such as atomic oxygen, when submitted to very high temperatures (> 1000° C and heat flux. The ablative performance ofcomposites is influenced by both base materials and environmental parameters during the ablation process. For TPS systems phenolic resin is usually used as the base matrix due to its ability to form a stable char during decomposition. This char plays an important role in the absorption of the heat generated during the ablation process. During re-entry, parts of the charred matrix can be abrasively removed by shear force due to high pressure and velocity. In this work the ablative and mechanical properties of quartz phenolic composites were evaluated in order to identify the range of properties suitable for the use of these materials as thermal protection systems for space vehicles. Quartz fabric having an areal weight of 680 g/m2 and a resole-type phenolic resin were used to prepare the composites. The resin has a viscosity of 165 MPa at 20°C. The prepreg material was cured by heating under pressure of 100 bar in a mold. The resin content of the prepreg obtained was about 50 per cent. The mechanical properties evaluated were, tensile, shear and flexural strength. The results obtained showed that this material has average values of 38.5 MPa, 52 MPa and 85 MPa for tensile, shear and flexural strength, respectively. The ablative tests were carried out in a high-energy air plasma in ambient atmosphere and the mass losses were measured for different exposure time.

  5. Synchrotron FTIR imaging of OH in quartz mylonites

    Directory of Open Access Journals (Sweden)

    A. K. Kronenberg

    2017-10-01

    Full Text Available Previous measurements of water in deformed quartzites using conventional Fourier transform infrared spectroscopy (FTIR instruments have shown that water contents of larger grains vary from one grain to another. However, the non-equilibrium variations in water content between neighboring grains and within quartz grains cannot be interrogated further without greater measurement resolution, nor can water contents be measured in finely recrystallized grains without including absorption bands due to fluid inclusions, films, and secondary minerals at grain boundaries.Synchrotron infrared (IR radiation coupled to a FTIR spectrometer has allowed us to distinguish and measure OH bands due to fluid inclusions, hydrogen point defects, and secondary hydrous mineral inclusions through an aperture of 10 µm for specimens > 40 µm thick. Doubly polished infrared (IR plates can be prepared with thicknesses down to 4–8 µm, but measurement of small OH bands is currently limited by strong interference fringes for samples < 25 µm thick, precluding measurements of water within individual, finely recrystallized grains. By translating specimens under the 10 µm IR beam by steps of 10 to 50 µm, using a software-controlled x − y stage, spectra have been collected over specimen areas of nearly 4.5 mm2. This technique allowed us to separate and quantify broad OH bands due to fluid inclusions in quartz and OH bands due to micas and map their distributions in quartzites from the Moine Thrust (Scotland and Main Central Thrust (Himalayas.Mylonitic quartzites deformed under greenschist facies conditions in the footwall to the Moine Thrust (MT exhibit a large and variable 3400 cm−1 OH absorption band due to molecular water, and maps of water content corresponding to fluid inclusions show that inclusion densities correlate with deformation and recrystallization microstructures. Quartz grains of mylonitic orthogneisses and paragneisses deformed

  6. Current Rectification with Poly-l-Lysine-Coated Quartz Nanopipettes

    Science.gov (United States)

    Umehara, Senkei; Pourmand, Nader; Webb, Chris D.; Davis, Ronald W.; Yasuda, Kenji; Karhanek, Miloslav

    2010-01-01

    Ion current rectification with quartz nanopipette electrodes was investigated through the control of the surface charge. The presence and absence of a positively charged poly-l-lysine (PLL) coating resulted in the rectified current with opposite polarity. The results agreed with the theories developed for current-rectifying conical nanopores, suggesting the similar underlying mechanism among asymmetric nanostructure in general. This surface condition dependence can be used as the fundamental principle of multi-purpose real-time in vivo biosensors. PMID:17090078

  7. Transitional grain-size-sensitive flow of milky quartz aggregates

    Science.gov (United States)

    Fukuda, J. I.; Holyoke, C. W., III; Kronenberg, A. K.

    2014-12-01

    Fine-grained (~15 μm) milky quartz aggregates exhibit reversible flow strengths in triaxial compression experiments conducted at T = 800-900oC, Pc = 1.5 GPa when strain rates are sequentially decreased (typically from 10-3.5 to 10-4.5 and 10-5.5 s-1), and then returned to the original rate (10-3.5 s-1), while samples that experience grain growth at 1000oC (to 35 μm) over the same sequence of strain rates exhibit an irreversible increase in strength. Polycrystalline quartz aggregates have been synthesized from natural milky quartz powders (ground to 5 μm) by HIP methods at T = 1000oC, Pc = 1.5 GPa and t = 24 hours, resulting in dense, fine-grained aggregates of uniform water content of ~4000 ppm (H/106Si), as indicated by a broad OH absorption band at 3400 cm-1. In experiments performed at 800o and 900oC, grain sizes of the samples are essentially constant over the duration of each experiment, though grain shapes change significantly, and undulatory extinction and deformation lamellae indicate that much of the sample shortening (to 50%) is accomplished, over the four strain-rate steps, by dislocation creep. Differential stresses measured at T = 800oC decrease from 160 to 30 MPa as strain rate is reduced from 10-4.6 to 10-5.5 s-1, and a stress of 140 MPa is measured when strain rate is returned to 10-4.5 s-1. Samples deformed at 1000o and 1100oC experience normal grain growth, with grain boundary energy-driven grain-coarsening textures superposed by undulatory extinction and deformation lamellae. Differential stresses measured at 1000oC and strain rates of 10-3.6, 10-4.6, and 10-5.5 s-1 are 185, 80, and 80 MPa, respectively, while an increased flow stress of 260 MPa is measured (following ~28 hours of prior high temperature deformation and grain growth) when strain rate is returned to 10-3.6 s-1. While all samples exhibit lattice preferred orientations, the stress exponent n inferred for the fine-grained 800oC sample is 1.5 and the stress exponent of the coarse

  8. Synchrotron FTIR imaging of OH in quartz mylonites

    Energy Technology Data Exchange (ETDEWEB)

    Kronenberg, Andreas K.; Hasnan, Hasnor F. B.; Holyoke III, Caleb W.; Law, Richard D.; Liu, Zhenxian; Thomas, Jay B.

    2017-01-01

    Previous measurements of water in deformed quartzites using conventional Fourier transform infrared spectroscopy (FTIR) instruments have shown that water contents of larger grains vary from one grain to another. However, the non-equilibrium variations in water content between neighboring grains and within quartz grains cannot be interrogated further without greater measurement resolution, nor can water contents be measured in finely recrystallized grains without including absorption bands due to fluid inclusions, films, and secondary minerals at grain boundaries.

    Synchrotron infrared (IR) radiation coupled to a FTIR spectrometer has allowed us to distinguish and measure OH bands due to fluid inclusions, hydrogen point defects, and secondary hydrous mineral inclusions through an aperture of 10 µm for specimens > 40 µm thick. Doubly polished infrared (IR) plates can be prepared with thicknesses down to 4–8 µm, but measurement of small OH bands is currently limited by strong interference fringes for samples < 25 µm thick, precluding measurements of water within individual, finely recrystallized grains. By translating specimens under the 10 µm IR beam by steps of 10 to 50 µm, using a software-controlled x-y stage, spectra have been collected over specimen areas of nearly 4.5 mm2. This technique allowed us to separate and quantify broad OH bands due to fluid inclusions in quartz and OH bands due to micas and map their distributions in quartzites from the Moine Thrust (Scotland) and Main Central Thrust (Himalayas).

    Mylonitic quartzites deformed under greenschist facies conditions in the footwall to the Moine Thrust (MT) exhibit a large and variable 3400 cm-1 OH absorption band due to molecular water, and maps of water content corresponding to fluid inclusions show that inclusion densities correlate with deformation and recrystallization microstructures. Quartz grains of mylonitic orthogneisses and

  9. Quartz Crystal Microbalance Operation and In Situ Calibration

    Science.gov (United States)

    Albyn, K. C.

    2004-01-01

    Quartz crystal microbalances (QCMs) are commonly used to measure the rate of deposition of molecular species on a surface. The measurement is often used to select materials with a low outgassing rate for applications where the material has a line of sight to a contamination-sensitive surface. A quantitative, in situ calibration of the balance, or balances, using a pure material for which the enthalpy of sublimation is known, is described in this Technical Memorandum. Supporting calculations for surface dwell times of deposited materials and the effusion cell Clausing factor are presented along with examples of multiple QCM measurements of outgassing from a common source.

  10. Quartz-Enhanced Photoacoustic Spectroscopy with Right-Angle Prism

    OpenAIRE

    Yongning Liu; Jun Chang; Jie Lian; Zhaojun Liu; Qiang Wang; Zengguang Qin

    2016-01-01

    A right-angle prism was used to enhance the acoustic signal of a quartz-enhanced photoacoustic spectroscopy (QEPAS) system. The incident laser beam was parallelly inverted by the right-angle prism and passed through the gap between two tuning fork prongs again to produce another acoustic excitation. Correspondingly, two pairs of rigid metal tubes were used as acoustic resonators with resonance enhancement factors of 16 and 12, respectively. The QEPAS signal was enhanced by a factor of 22.4 co...

  11. Off-beam quartz-enhanced photoacoustic spectroscopy.

    Science.gov (United States)

    Liu, Kun; Guo, Xiaoyong; Yi, Hongming; Chen, Weidong; Zhang, Weijun; Gao, Xiaoming

    2009-05-15

    An off-beam (OB) detection approach is suggested and experimentally investigated and optimized for quartz-enhanced photoacoustic spectroscopy (QEPAS). This OB-QEPAS configuration, very simple in assembly, not only allows for use of larger excitation optical beams and facilitating optical alignment but also provides higher enhancement of photoacoustic signals than previously published results based on the common on-beam QEPAS under the same experimental conditions. A normalized noise equivalent absorption coefficient (1sigma) of 5.9 x 10(-9) cm(-1)W/Hz(1/2) was obtained for water vapor detection at normal atmospheric pressure.

  12. Quartz enhanced photoacoustic leak sensor for mechatronic components

    Science.gov (United States)

    Sampaolo, A.; Patimisco, P.; Giglio, M.; Calabrese, P. P.; Chieco, L.; Scamarcio, G.; Tittel, F. K.; Spagnolo, V.

    2016-02-01

    We report the first demonstration of a leak sensor based on a mid-IR quartz-enhanced photoacoustic (QEPAS) spectroscopic technique. A QEPAS sensor was integrated in a vacuum seal test station for mechatronic components. The laser source is a quantum cascade laser emitting at 10.56 μm, resonant with a strong absorption band of sulfur hexafluoride (SF6), which was selected as target gas for leak detection. The minimum detectable concentration of the QEPAS sensor is 6.9 ppb with an integration time of 1 s. This detection sensitivity allowed to measure SF6 leak flows as low as 3x10-5 standard cm3.

  13. Structure-Guided Reprogramming of a Hydroxylase To Halogenate Its Small Molecule Substrate.

    Science.gov (United States)

    Mitchell, Andrew J; Dunham, Noah P; Bergman, Jonathan A; Wang, Bo; Zhu, Qin; Chang, Wei-Chen; Liu, Xinyu; Boal, Amie K

    2017-01-24

    Enzymatic installation of chlorine/bromine into unactivated carbon centers provides a versatile, selective, and environmentally friendly alternative to chemical halogenation. Iron(II) and 2-(oxo)-glutarate (Fe(II)/2OG)-dependent halogenases are powerful biocatalysts that are capable of cleaving aliphatic C-H bonds to introduce useful functional groups, including halogens. Using the structure of the Fe/2OG halogenase, WelO5, in complex with its small molecule substrate, we identified a similar N-acyl amino acid hydroxylase, SadA, and reprogrammed it to halogenate its substrate, thereby generating a new chiral haloalkyl center. The work highlights the potential of Fe(II)/2OG enzymes as platforms for development of novel stereospecific catalysts for late-stage C-H functionalization.

  14. Detection of halogenated flame retardants in polyurethane foam by particle induced X-ray emission

    Energy Technology Data Exchange (ETDEWEB)

    Maley, Adam M.; Falk, Kyle A.; Hoover, Luke; Earlywine, Elly B.; Seymour, Michael D. [Department of Chemistry, Hope College, 35 E. 12th Street, Holland, MI 49423 (United States); DeYoung, Paul A. [Department of Physics, Hope College, 27 Graves Place, Holland, MI 49423 (United States); Blum, Arlene [Green Science Policy Institute, Box 5455, Berkeley, CA 94705 (United States); Stapleton, Heather M. [Nicholas School of the Environment, Duke University, LSRC Box 90328, Durham, NC 27708 (United States); Peaslee, Graham F., E-mail: peaslee@hope.edu [Department of Chemistry, Hope College, 35 E. 12th Street, Holland, MI 49423 (United States)

    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.

  15. Investigating Arctic Tropospheric Ozone Depletion Through a Flowing Chemical Reaction Method of Halogen Free Radical Measurement

    Science.gov (United States)

    Tackett, P. J.; Shepson, P. B.; Bottenheim, J. W.; Steffen, A.

    2008-12-01

    Arctic tropospheric halogen chemistry has been investigated through the measurement of halogen free radicals, ozone, and gaseous elemental mercury in the lower Arctic troposphere during spring 2008 in a unique sea ice surface environment onboard the research icebreaker CCGS Amundsen. Low-level ozone depletion events were observed beginning in early March, with more extensive events occurring later in the month. Bromine monoxide measurements were conducted using a new, flowing chemical reaction method in addition to established DOAS techniques, and was observed with good agreement at concentrations approaching 40 ppt during periods of significant ozone and mercury depletion. Air mass history was observed for the periods leading to depletion, suggesting a dependence on sea ice contact and ambient temperatures below -22 °C as necessary elements for the onset of halogen-induced tropospheric ozone depletion. Here we discuss our data further with the aim of better understanding how ozone depletion events are triggered.

  16. Correlating Precisely Defined Primary Structure with Crystalline Properties in Halogen Containing Polyolefins

    Science.gov (United States)

    Boz, Emine; Alamo, Rufina G.; Wagener, Kenneth B.

    Polyethylene (PE) and poly(vinyl chloride) (PVC) are among the most important polymers produced in industry, although other halogen-containing derivatives of PE, such as poly(tetrafluorethylene) (PTFE) have also found wides pread use. A related class of polymers is the ethylene-co-vinyl-halide family. Such copolymers are expected to show distinct properties relative to their better known industrial analogues. For example, much interest has focused on ethylene vinyl chloride (EVC) polymers based on their potential for improved thermal stability relative to PVC. Various techniques have been used to synthesize these ethylene vinyl halide (EVH) copolymers and the simplest approach is halogenation of PE, which results in an irregular distribution of halogens along the polymer backbone and poorly defined materials.

  17. Biodegradation of bisphenol A and its halogenated analogues by Cunninghamella elegans ATCC36112.

    Science.gov (United States)

    Keum, Young Soo; Lee, Hye Ri; Park, Hee Won; Kim, Jeong-Han

    2010-11-01

    Bisphenol A and its halogenated analogues are commonly used industrial chemicals with strong toxicological effects over many organisms. In this study, metabolic fate of bisphenol A and its halogenated analogues were evaluated with Cunninghamella elegans ATCC36112. Bisphenol A and related analogues were rapidly transformed into several metabolites by C. elegans within 2-4 days. Detailed analysis of metabolites reveals that both phase I and II metabolism occurred in C. elegans. Cytochrome P450-dependent hydroxylation was observed in BPA. However, major reaction with bisphenol A and analogues with 1-2 halogen atoms were the formation of glucose-conjugate, not being inhibited by cytochrome P450 inhibitor. Overall metabolic rates decreased with increasing number of substitution at 2- and 6-position of BPA structures, which may be consequences of limited bioavailability or steric hindrance to conjugate-forming reaction. Information from the current study will provide detailed insights over the fungal metabolism of BPA and analogues.

  18. Halogen bond preferences of thiocyanate ligand coordinated to Ru(II) via sulphur atom

    Science.gov (United States)

    Ding, Xin; Tuikka, Matti; Hirva, Pipsa; Haukka, Matti

    2017-09-01

    Halogen bonding between [Ru(bpy)(CO)2(S-SCN)2] (bpy = 2,2'-bipyridine), I2 was studied by co-crystallising the metal compound and diiodine from dichloromethane. The only observed crystalline product was found to be [Ru(bpy)(CO)2(S-SCN)2]ṡI2 with only one NCSṡṡṡI2 halogen bond between I2 and the metal coordinated S atom of one of the thiocyanate ligand. The dangling nitrogen atoms were not involved in halogen bonding. However, computational analysis suggests that there are no major energetic differences between the NCSṡṡṡI2 and SCNṡṡṡI2 bonding modes. The reason for the observed NCSṡṡṡI2 mode lies most probably in the more favourable packing effects rather than energetic preferences between NCSṡṡṡI2 and SCNṡṡṡI2 contacts.

  19. Rational design of organic semiconductors for texture control and self-patterning on halogenated surfaces

    KAUST Repository

    Ward, Jeremy W.

    2014-05-15

    Understanding the interactions at interfaces between the materials constituting consecutive layers within organic thin-film transistors (OTFTs) is vital for optimizing charge injection and transport, tuning thin-film microstructure, and designing new materials. Here, the influence of the interactions at the interface between a halogenated organic semiconductor (OSC) thin film and a halogenated self-assembled monolayer on the formation of the crystalline texture directly affecting the performance of OTFTs is explored. By correlating the results from microbeam grazing incidence wide angle X-ray scattering (μGIWAXS) measurements of structure and texture with OTFT characteristics, two or more interaction paths between the terminating atoms of the semiconductor and the halogenated surface are found to be vital to templating a highly ordered morphology in the first layer. These interactions are effective when the separating distance is lower than 2.5 dw, where dw represents the van der Waals distance. The ability to modulate charge carrier transport by several orders of magnitude by promoting "edge-on" versus "face-on" molecular orientation and crystallographic textures in OSCs is demonstrated. It is found that the "edge-on" self-assembly of molecules forms uniform, (001) lamellar-textured crystallites which promote high charge carrier mobility, and that charge transport suffers as the fraction of the "face-on" oriented crystallites increases. The role of interfacial halogenation in mediating texture formation and the self-patterning of organic semiconductor films, as well as the resulting effects on charge transport in organic thin-film transistors, are explored. The presence of two or more anchoring sites between a halogenated semiconductor and a halogenated self-assembled monolayer, closer than about twice the corresponding van der Waals distance, alter the microstructure and improve electrical properties. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    2017-11-20

    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.

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

    Science.gov (United States)

    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

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

    Science.gov (United States)

    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 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.

  3. Thermodynamics parameters for binding of halogenated benzotriazole inhibitors of human protein kinase CK2α.

    Science.gov (United States)

    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.

  4. [Study on the accuracy of pressure determined by raman spectra of quartz].

    Science.gov (United States)

    Guo, Ning; Zheng, Hai-fei

    2010-08-01

    Quartz as a pressure gauge and its accuracy were studied by Raman spectroscopy at 25 degrees C and ambient pressure. The result shows that even at same temperature and pressure, the Si-O vibrational mode for different grains of quartz varies between 463.59 and 464.65 cm(-1), with (+/- 0.1- +/- 0.3) cm(-1) error. The maximum difference of various grains of quartz is up to 1.06 cm(-1), much higher than the measurement error. The authors believe that the variety is resulted from the stress in the internal grains of quartz, which formed during crushing quartz into small grain. Therefore, Raman spectrum for quartz has to be firstly measured as a reference of zero pressure at ambient pressure and temperature in the experimental study by using diamond anvil cell. In addition, wavenumber drift of the spectrometer and the unstable temperature will also cause remarkable error for measuring pressure.

  5. Understanding optically stimulated charge movement in quartz and feldspar using time-resolved measurements

    DEFF Research Database (Denmark)

    Ankjærgaard, Christina

    Thermoluminescence (TL) and optically stimulated luminescence (OSL) from quartz and feldspar are widely used in accident dosimetry and luminescence dating. In order to improve already existing methods or to develop new methods towards extending the current limits of the technique, it is important...... the recombination route(s), and thus obtain insight into the other half of the process involved in luminescence emission. This thesis studies the TR-OSL and optically stimulated phosphorescence signals from quartz and feldspars spanning several orders of magnitude in time (few ns to the seconds time scale) in order...... for the best separation of quartz OSL from a mixed quarts-feldspar sample. It then proceeds to study the different charge transport mechanisms subsequent to an optical stimulation pulse in quartz and feldspars. The results obtained for quartz conclude that the main lifetime component in quartz represents...

  6. Chlorine dioxide as phenol and H2S scavenger - formation of halogenated phenols and subsequent environmental risk

    Energy Technology Data Exchange (ETDEWEB)

    Melbye, Alf G.; Faksness, Liv-Guri; Knudsen, Boerre Leif

    2006-03-15

    Formation of halogenated phenols as side products from treatment of produced water with aqueous chlorine dioxide has been investigated. The literature describes formation of halogenated hydrocarbons in effluent treatment using chlorine, hypochlorite and chlorine dioxide. A new chlorine dioxide product, originally intended as a H2S scavenger in the oil and gas industry, has been tested both as a phenol scavenger and H2S-scavenger for produced water applications. The concern about the possible formation of halogenated by-products initiated laboratory testing of chlorine dioxide as phenol and H2S scavenger for produced water applications. The tests also included synthetic matrixes containing phenols, and the tests show that halogenated phenols, mainly brominated species, are found in produced water after treatment with chlorine dioxide. Due to potential environmental risk from halogenated organic contaminants, the use of chlorine dioxide as phenol and H2S scavenger is not recommended. (Author)

  7. Determination of N-containing halogenated natural products using gas chromatography in combination of a nitrogen-phosphorus-detector

    Energy Technology Data Exchange (ETDEWEB)

    Melcher, J.; Vetter, W. [Hohenheim Univ., Stuttgart (Germany). Inst. fuer Lebensmittelchemie

    2004-09-15

    In the last few years several nonpolar halogenated natural products (HNPs) such as Q1, MHC-1, BC-2, BC-3, BC-10 were detected at elevated concentrations in marine biota samples. In addition, there are still some abundant peaks of halogenated compounds frequently found in the gas chromatograms of many marine samples which have not yet been identified. Some of the known halogenated natural products (Q1, HDBPs including BC-10, bromoindoles) contain N-heterocyclic backbones. Since nitrogen is scarcely found in anthropogenic halogenated compounds, the detection of N-containing halogenated substances may be used as a first indicator for the presence of HNPs in a sample extract. In the presented method we studied the suitability of a nitrogen phosphorous detector (NPD) for quantification of Q1 and the detection of Ncontaining compounds in marine biota. Analyses were accompanied with GC/ECD analyses.

  8. Rasta resin–triphenylphosphine oxides and their use as recyclable heterogeneous reagent precursors in halogenation reactions

    Directory of Open Access Journals (Sweden)

    Xuanshu Xia

    2014-06-01

    Full Text Available Heterogeneous polymer-supported triphenylphosphine oxides based on the rasta resin architecture have been synthesized, and applied as reagent precursors in a wide range of halogenation reactions. The rasta resin–triphenylphosphine oxides were reacted with either oxalyl chloride or oxalyl bromide to form the corresponding halophosphonium salts, and these in turn were reacted with alcohols, aldehydes, aziridines and epoxides to form halogenated products in high yields after simple purification. The polymer-supported triphenylphosphine oxides formed as a byproduct during these reactions could be recovered and reused numerous times with no appreciable decrease in reactivity.

  9. Halogen-bond and hydrogen-bond interactions between three benzene derivatives and dimethyl sulphoxide.

    Science.gov (United States)

    Zheng, Yan-Zhen; Wang, Nan-Nan; Zhou, Yu; Yu, Zhi-Wu

    2014-04-21

    Halogen-bonds, like hydrogen-bonds, are a kind of noncovalent interaction and play an important role in diverse fields including chemistry, biology and crystal engineering. In this work, a comparative study was carried out to examine the halogen/hydrogen-bonding interactions between three fluoro-benzene derivatives and dimethyl sulphoxide (DMSO). A number of conclusions were obtained by using attenuated total reflection infrared spectroscopy (ATR-IR), nuclear magnetic resonance (NMR) and ab initio calculations. Electrostatic surface potential, geometry, energy, vibrational frequency, intensity and the natural population analysis (NPA) of the monomers and complexes are studied at the MP2 level of theory with the aug-cc-pVDZ basis set. First, the interaction strength decreases in the order C6F5H-DMSO ∼ ClC6F4H-DMSO > C6F5Cl-DMSO, implying that the hydrogen-bond is stronger than the halogen-bond in the systems and, when interacting with ClC6F4H, DMSO favors the formation of a hydrogen-bond rather than a halogen-bond. Second, attractive energy dependences on 1/r(3.3) and 1/r(3.1) were established for the hydrogen-bond and halogen-bond, respectively. Third, upon the formation of a hydrogen-bond and halogen-bond, there is charge transfer from DMSO to the hydrogen-bond and halogen-bond donor. The back-group CH3 was found to contribute positively to the stabilization of the complexes. Fourth, an isosbestic point was detected in the ν(C-Cl) absorption band in the C6F5Cl-DMSO-d6 system, indicating that there exist only two dominating forms of C6F5Cl in binary mixtures; the non-complexed and halogen-bond-complexed forms. The presence of stable complexes in C6F5H-DMSO and ClC6F4H-DMSO systems are evidenced by the appearance of new peaks with fixed positions.

  10. Halogenated fullerenes as precursors for the synthesis of functional derivatives of C60 and C70

    Science.gov (United States)

    Khakina, E. A.; Troshin, P. A.

    2017-09-01

    The review is devoted to the use of halogenated fullerenes as precursors for the synthesis of functional derivatives of fullerenes C60 and C70. Data on chemical transformations of halogenated fullerenes C60Cl6, C70Cl8, C70Cl10, C60F18, C60F36 and C60F48 are described systematically, with the focus being placed on the preparation of compounds with valuable properties. In particular, new approaches to the synthesis of water-soluble fullerene derivatives are considered and prospects for their practical use in biomedicine are evaluated. The bibliography includes 108 references.

  11. Natural marine halogen and sulfur emissions influence air quality in the coastal megacity of Los Angeles

    Science.gov (United States)

    Muñiz-Unamunzaga, María; Borge, Rafael; Sarwar, Golam; Gantt, Brett; de la Paz, David; Cuevas, Carlos A.; Saiz-Lopez, Alfonso

    2017-04-01

    Natural halogen and sulfur compounds, emitted from the ocean, influence the oxidizing capacity of the marine atmosphere; however, their impact on the air quality of coastal cities is currently unknown. In this work, a set of high-resolution simulations were performed using the Community Multiscale Air Quality (CMAQ) regional model, to assess the impact of ocean emissions and combined chemical processes of halogens (iodine, bromine and chlorine) and DMS on air quality levels of Los Angeles and South Coast Air Basin. Simulations were completed for August and September of 2006, using a horizontal grid resolution of 4 km and 35 vertical levels.

  12. Influence of halogen atoms and protonation on the photophysical properties of sulfonated porphyrins

    Science.gov (United States)

    De Boni, L.; Monteiro, C. J. P.; Mendonça, C. R.; Zílio, S. C.; Gonçalves, P. J.

    2015-07-01

    This work employs UV/vis absorption and Z-scan techniques to investigate how the presence of one or two halogens atoms and the macrocycle protonation affect the photophysical characteristics of sulfonated porphyrins. The results are relevant to photomedicine and photonics because they show that: (i) the insertion of halogen atoms increases the intersystem crossing quantum yield, a useful feature for photodynamic therapy, (ii) the fluorescence observed in fluorinated porphyrins shows desired characteristics for theranostics, which combine therapy and diagnostics in the same platform, and (iii) the protonation enhances the excited-state absorption in the visible region, an important feature for optical limiting.

  13. A 19F NMR study of C-I....pi- halogen bonding

    DEFF Research Database (Denmark)

    Hauchecorne, Dieter; vand er Veken, Benjamin J.; Herrebout, Wouter A.

    2011-01-01

    The formation of halogen bonded complexes between toluene-d8 and the perfluoroiodopropanes 1-C3F7I and 2-C3F7I has been investigated using 19F NMR spectroscopy. For both Lewis acids, evidence was found for the formation of a C–I⋯π halogen bonded complex. The complex formed is a 1:1 type. Using...... results are supported by ab initio calculations at the B3LYP-PCM/6-311++G(d,p) + LanL2DZ∗ level....

  14. Halogen Bonding Involving CO and CS with Carbon as the Electron Donor

    Directory of Open Access Journals (Sweden)

    Janet E. Del Bene

    2017-11-01

    Full Text Available MP2/aug’-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2. CO forms only complexes stabilized by traditional halogen bonds, and all ClY molecules form traditional halogen-bonded complexes with SC, except ClF which forms only an ion-pair complex. Ion-pair complexes are also found on the SC:ClNC and SC:ClCl surfaces. SC:ClY complexes stabilized by traditional halogen bonds have greater binding energies than the corresponding OC:ClY complexes. The largest binding energies are found for the ion-pair SC–Cl+:−Y complexes. The transition structures which connect the complex and the ion pair on SC:ClNC and SC:ClCl potential surfaces provide the barriers for inter-converting these structures. Charge-transfer from the lone pair on C to the σ-hole on Cl is the primary charge-transfer interaction stabilizing OC:ClY and SC:ClY complexes with traditional halogen bonds. A secondary charge-transfer occurs from the lone pairs on Cl to the in-plane and out-of-plane π antibonding orbitals of ClY. This secondary interaction assumes increased importance in the SC:ClNH2 complex, and is a factor leading to its unusual structure. C–O and C–S stretching frequencies and 13C chemical shieldings increase upon complex formation with ClY molecules. These two spectroscopic properties clearly differentiate between SC:ClY complexes and SC–Cl+:−Y ion pairs. Spin–spin coupling constants 1xJ(C–Cl for OC:ClY complexes increase with decreasing distance. As a function of the C–Cl distance, 1xJ(C–Cl and 1J(C–Cl provide a fingerprint of the evolution of the halogen bond from a traditional halogen bond in the complexes, to a chlorine-shared halogen bond in the transition structures, to a covalent bond in the ion pairs.

  15. Changes in OSL properties of quartz by preheating: an interpretation

    Energy Technology Data Exchange (ETDEWEB)

    Vartanian, E. E-mail: crpaa@montaigne.u-bordeaux.fr; Guibert, P.; Roque, C.; Bechtel, F.; Schvoerer, M

    2000-12-15

    A study of OSL variation with preheat temperature showed, in a majority of cases, that OSL recorded at room temperature, increases above 200 deg. C before the normal drainage at higher temperature. To explain this behaviour, an alternative interpretation to the common 'electronic thermal transfer' mechanism is suggested, supported by a study of hydrothermally grown quartz crystals. This interpretation involves impurities in substitution of Si{sup 4+}, specially Al{sup 3+}, which are associated with species like, in the case of quartz, hydrogen (H{sup +}, in fact, OH{sup -}) and alkali ions (Li{sup +}, Na{sup +}, K{sup +}). These monovalent ions usually act as charge compensators and are mobile during heating. As a consequence of the mobility and a possible irreversible exchange between compensators, the number of radiative recombination centres associated with the OSL trap(s), observable within the detection spectral window used (250-400 nm), increases during preheating. This phenomenon could lead to a wrong ED determination.

  16. Infrared optical properties of $\\alpha$ quartz by molecular dynamics simulations

    CERN Document Server

    Gangemi, Fabrizio; Carati, Andrea; Maiocchi, Alberto; Galgani, Luigi

    2016-01-01

    This paper is concerned with theoretical estimates of the refractive--index curves for quartz, obtained by the Kubo formul\\ae\\ in the classical approximation, through MD simulations for the motions of the ions. Two objectives are considered. The first one is to understand the role of nonlinearities in situations where they are very large, as at the $\\alpha$--$\\beta$ structural phase transition. We show that on the one hand they don't play an essential role in connection with the form of the spectra in the infrared. On the other hand they play an essential role in introducing a chaoticity which involves a definite normal mode. This might explain why that mode is Raman active in the $\\alpha$ phase, but not in the $\\beta$ phase. The second objective concerns whether it is possible in a microscopic model to obtain normal mode frequencies, or peak frequencies in the optical spectra, that are in good agreement with the experimental data for quartz. Notwithstanding a lot of effort, we were unable to find results agr...

  17. Study of the bending modes in circular quartz resonators.

    Science.gov (United States)

    Leclaire, Philippe; Goossens, Jozefien; Martinez, Loïc; Wilkie-Chancelier, Nicolas; Serfaty, Stéphane; Glorieux, Christ

    2006-10-01

    An experimental and theoretical study of bending modes in a partially electroded circular piezoelectric quartz (AT-cut) with free edge is presented. The quartz is excited by a voltage pulse applied on the electrodes, and its surface is scanned by a laser vibrometer that measures the out-of-plane displacements. The classical theory of bending of thin disks is used to describe the flexural modes at frequencies lower than the first thickness shear resonance (6 MHz). A fairly good agreement is found between experimental and theoretical results for the forced mode shapes and for the resonance frequencies. However, it appears that the two springs used to maintain the disk in position introduce extra clamping conditions. Several source shapes were studied, among which a collection of an arbitrary number of forces is particularly useful. The two-dimensional wavenumber representation shows the presence of anisotropy related to the crystallographic axes at higher frequencies, which is not predicted by the model. The experimental phase velocities are compared to those given by the classical theory of disks and to those of Lamb A(0) mode. This study confirms the correspondence at low frequencies between the A(0) mode and the bending eigenmodes of a disk with finite size.

  18. Outbreak of silicosis in Spanish quartz conglomerate workers.

    Science.gov (United States)

    Pérez-Alonso, Aránzazu; Córdoba-Doña, Juan Antonio; Millares-Lorenzo, José Luis; Figueroa-Murillo, Estrella; García-Vadillo, Cristina; Romero-Morillos, José

    2014-01-01

    To describe the epidemiological and clinical characteristics of an outbreak of occupational silicosis and the associated working conditions. Cases were defined as men working in the stone cutting, shaping, and finishing industry in the province of Cádiz, diagnosed with silicosis between July 2009 and May 2012, and were identified and diagnosed by the department of pulmonology of the University Hospital of Puerto Real (Cádiz). A census of workplaces using quartz conglomerates was carried out to determine total numbers of potentially exposed workers. A patient telephone survey on occupational exposures and a review of medical records for all participants were conducted. Silicosis was diagnosed in 46 men with a median age of 33 years and a median of 11 years working in the manufacturing of countertops. Of these cases, 91.3% were diagnosed with simple chronic silicosis, with an abnormal high-resolution computerized tomography (HRCT) scan. One patient died during the study period. Employer non-compliance in prevention and control measures was frequently reported, as were environmental and individual protection failures. The use of new construction materials such as quartz conglomerates has increased silicosis incidence due to intensive occupational exposures, in the context of high demand fuelled by the housing boom. This widespread exposure poses a risk if appropriate preventive measures are not undertaken.

  19. Synchrotron FTIR imaging of OH in quartz mylonites

    Science.gov (United States)

    Kronenberg, Andreas K.; Hasnan, Hasnor F. B.; Holyoke, Caleb W., III; Law, Richard D.; Liu, Zhenxian; Thomas, Jay B.

    2017-10-01

    Previous measurements of water in deformed quartzites using conventional Fourier transform infrared spectroscopy (FTIR) instruments have shown that water contents of larger grains vary from one grain to another. However, the non-equilibrium variations in water content between neighboring grains and within quartz grains cannot be interrogated further without greater measurement resolution, nor can water contents be measured in finely recrystallized grains without including absorption bands due to fluid inclusions, films, and secondary minerals at grain boundaries.Synchrotron infrared (IR) radiation coupled to a FTIR spectrometer has allowed us to distinguish and measure OH bands due to fluid inclusions, hydrogen point defects, and secondary hydrous mineral inclusions through an aperture of 10 µm for specimens > 40 µm thick. Doubly polished infrared (IR) plates can be prepared with thicknesses down to 4-8 µm, but measurement of small OH bands is currently limited by strong interference fringes for samples detectable water in highly sheared MCT mylonites challenge our understanding of quartz rheology. However, where water absorption bands can be detected and compared with deformation microstructures, OH concentration maps provide information on the histories of deformation and recovery, evidence for the introduction and loss of fluid inclusions, and water weakening processes.

  20. Electronic Nose using Gas Chromatography Column and Quartz Crystal Microbalance

    Directory of Open Access Journals (Sweden)

    Hari Agus Sujono

    2011-08-01

    Full Text Available The conventional electronic nose usually consists of an array of dissimilar chemical sensors such as quartz crystal microbalance (QCM combined with pattern recognition algorithm such as Neural network. Because of parallel processing, the system needs a huge number of sensors and circuits which may emerge complexity and inter-channel crosstalk problems. In this research, a new type of odor identification which combines between gas chromatography (GC and electronic nose methods has been developed. The system consists of a GC column and a 10-MHz quartz crystal microbalance sensor producing a unique pattern for an odor in time domain. This method offers advantages of substantially reduced size, interferences and power consumption in comparison to existing odor identification system. Several odors of organic compounds were introduced to evaluate the selectivity of the system. Principle component analysis method was used to visualize the classification of each odor in two-dimensional space. This system could resolve common organic solvents, including molecules of different classes (aromatic from alcohols as well as those within a particular class (methanol from ethanol and also fuels (premium from pertamax. The neural network can be taught to recognize the odors tested in the experiment with identification rate of 85 %. It is therefore the system may take the place of human nose, especially for poisonous odor evaluations.

  1. Analytical model for CO(2) laser ablation of fused quartz.

    Science.gov (United States)

    Nowak, Krzysztof M; Baker, Howard J; Hall, Denis R

    2015-10-10

    This paper reports the development of an analytical model, with supporting experimental data, which quite accurately describes the key features of CO2 laser ablation of fused silica glass. The quantitative model of nonexplosive, evaporative material removal is shown to match the experimental data very well, to the extent that it can be used as a tool for ablative measurements of absorption coefficient and vaporization energy. The experimental results indicated that a minimum of 12  MJ kg-1 is required to fully vaporize fused quartz initially held at room temperature, which is in good agreement with the prediction of the model supplied with input data available in the literature. An optimal window for the machining of fused quartz was revealed in terms of pulse duration 20-80 μs and CO2 laser wavelength optimized for maximum absorption coefficient. Material removal rates of 0.33 μm per J cm-2 allow for a high-precision depth control with modest laser stability. The model may also be used as a parameter selection guide for CO2 laser ablation of fused silica or other materials of similar thermophysical properties.

  2. Mass production of CNTs using CVD multi-quartz tubes

    Energy Technology Data Exchange (ETDEWEB)

    Yousef, Samy; Mohamed, Alaa [Dept. of Production Engineering and Printing Technology, Akhbar Elyom Academy, Giza (Egypt)

    2016-11-15

    Carbon nanotubes (CNTs) have become the backbone of modern industries, including lightweight and heavy-duty industrial applications. Chemical vapor deposition (CVD) is considered as the most common method used to synthesize high yield CNTs. This work aims to develop the traditional CVD for the mass production of more economical CNTs, meeting the growing CNT demands among consumers by increasing the number of three particular reactors. All reactors housing is connected by small channels to provide the heat exchange possibility between the chambers, thereby decreasing synthesis time and reducing heat losses inside the ceramic body of the furnace. The novel design is simple and cheap with a lower reacting time and heat loss compared with the traditional CVD design. Methane, hydrogen, argon, and catalyzed iron nanoparticles were used as a carbon source and catalyst during the synthesis process. In addition, CNTs were produced using only a single quartz tube for comparison. The produced samples were examined using XRD, TEM, SEM, FTIR, and TGA. The results showed that the yield of CNTs increases by 287 % compared with those synthesized with a single quartz tube. Moreover, the total synthesis time of CNTs decreases by 37 % because of decreased heat leakage.

  3. Threshold sensitivity of quartz variometers with negative feedback

    Science.gov (United States)

    Odintsov, V. I.; Petrov, V. G.

    2017-05-01

    The maximum achievable parameters of magnetometers based on optomechanical quartz variometers are studied in connection with the planned transition of the international network Intermagnet to 1-s recording and the need to provide the network of Russian geomagnetic observatories with domestic magnetometers that satisfy Intermagnet requirements. The mechanism of negative feedback effect on the sensitivity threshold of a variometer with an optoelectronic angle transducer is shown. The optimization criterion for the size and shape of the magnets made of different magnetic materials is defined by the maximum ratio of the magnetic moment to the inertial moment. Theoretical and experimental evaluation of the variometer noise level is based on vicalloy and samarium-cobalt. It is shown that the frequency range of magnetometers with variometers based on vicalloy and samarium-cobalt will be bounded from above by frequencies of 1.6 and 6.4 Hz, respectively, at a threshold sensitivity of about 1 pT. These ratios of the frequency and threshold sensitivity for the given magnetic materials are probably limited for quartz variometers with an optoelectronic angle transducer.

  4. Outbreak of silicosis in Spanish quartz conglomerate workers

    Science.gov (United States)

    Pérez-Alonso, Aránzazu; Córdoba-Doña, Juan Antonio; Millares-Lorenzo, José Luis; Figueroa-Murillo, Estrella; García-Vadillo, Cristina; Romero-Morillo, José

    2014-01-01

    Objectives: To describe the epidemiological and clinical characteristics of an outbreak of occupational silicosis and the associated working conditions. Methods: Cases were defined as men working in the stone cutting, shaping, and finishing industry in the province of Cádiz, diagnosed with silicosis between July 2009 and May 2012, and were identified and diagnosed by the department of pulmonology of the University Hospital of Puerto Real (Cádiz). A census of workplaces using quartz conglomerates was carried out to determine total numbers of potentially exposed workers. A patient telephone survey on occupational exposures and a review of medical records for all participants were conducted. Results: Silicosis was diagnosed in 46 men with a median age of 33 years and a median of 11 years working in the manufacturing of countertops. Of these cases, 91.3% were diagnosed with simple chronic silicosis, with an abnormal high-resolution computerized tomography (HRCT) scan. One patient died during the study period. Employer non-compliance in prevention and control measures was frequently reported, as were environmental and individual protection failures. Conclusions: The use of new construction materials such as quartz conglomerates has increased silicosis incidence due to intensive occupational exposures, in the context of high demand fuelled by the housing boom. This widespread exposure poses a risk if appropriate preventive measures are not undertaken. PMID:24804337

  5. Controls on polyacrylamide adsorption to quartz, kaolinite, and feldspar

    Science.gov (United States)

    Graveling, Gary J.; Vala Ragnarsdottir, K.; Allen, Geoff C.; Eastman, John; Brady, Patrick V.; Balsley, Steven D.; Skuse, David R.

    1997-09-01

    Potentiometric titrations of quartz, kaolinite, feldspar, and partially hydrolysed polyacrylamide (HPAM), and sorption measurements of HPAM on the minerals, allows identification of the general mechanisms of polyacrylamide adsorption to aluminosilicates and quartz. Adsorption was monitored at the mineral solution interface by way of X-ray photoelectron spectroscopy (XPS). XPS spectra of the unreacted minerals show bands in the Ols, Si2p, Al2p, and Cls regions. Additional peaks are observed in the C1s and N1s regions after treatment with polyacrylamide and the latter is used in this study to monitor polymer adsorption. N1s peak intensities increase with polymer concentration to a maximum corresponding to surface site saturation. At a fixed polymer concentration, adsorption varies with pH-dependent surface charge. The adsorption mechanism changes with pH, reflecting variation in the pH-dependent concentrations of ionizable groups on polyacrylamide and at aluminosilicate surfaces, and the extent of hydrogen-bonding between uncharged mineral surface sites and polymer amide groups.

  6. Assessing rare earth elements in quartz rich geological samples.

    Science.gov (United States)

    Santoro, A; Thoss, V; Ribeiro Guevara, S; Urgast, D; Raab, A; Mastrolitti, S; Feldmann, J

    2016-01-01

    Sodium peroxide (Na2O2) fusion coupled to Inductively Coupled Plasma Tandem Mass Spectrometry (ICP-MS/MS) measurements was used to rapidly screen quartz-rich geological samples for rare earth element (REE) content. The method accuracy was checked with a geological reference material and Instrumental Neutron Activation Analysis (INAA) measurements. The used mass-mode combinations presented accurate results (only exception being (157)Gd in He gas mode) with recovery of the geological reference material QLO-1 between 80% and 98% (lower values for Lu, Nd and Sm) and in general comparable to INAA measurements. Low limits of detection for all elements were achieved, generally below 10 pg g(-1), as well as measurement repeatability below 15%. Overall, the Na2O2/ICP-MS/MS method proved to be a suitable lab-based method to quickly and accurately screen rock samples originating from quartz-rich geological areas for rare earth element content; particularly useful if checking commercial viability. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Applications of quartz tuning forks in spectroscopic gas sensing

    Science.gov (United States)

    Kosterev, Anatoliy A.; Tittel, Frank K.; Serebryakov, Dmitry V.; Malinovsky, Alexander L.; Morozov, Igor V.

    2005-04-01

    A recently introduced approach to photoacoustic detection of trace gases utilizing a quartz tuning fork (TF) as a resonant acoustic transducer is described in detail. Advantages of the technique called quartz-enhanced photoacoustic spectroscopy (QEPAS) compared to conventional resonant photoacoustic spectroscopy include QEPAS sensor immunity to environmental acoustic noise, a simple absorption detection module design, and its capability to analyze gas samples ˜1mm3 in volume. Noise sources and the TF properties as a function of the sampled gas pressure, temperature and chemical composition are analyzed. Previously published results for QEPAS based chemical gas sensing are summarized. The achieved sensitivity of 5.4×10-9cm-1W/√Hz is compared to recent published results of photoacoustic gas sensing by other research groups. An experimental study of the long-term stability of a QEPAS-based ammonia sensor is presented. The results of this study indicate that the sensor exhibits very low drift, which allows data averaging over >3h of continuous concentration measurements. Architecture and practical implementation of autonomous QEPAS-sensor controller electronics is described. Future developments of QEPAS technique are outlined.

  8. Theoretical analysis of a quartz-enhanced photoacoustic spectroscopy sensor

    Science.gov (United States)

    Petra, N.; Zweck, J.; Kosterev, A. A.; Minkoff, S. E.; Thomazy, D.

    2009-03-01

    Quartz-enhanced photoacoustic spectroscopy (QEPAS) sensors are based on a recent approach to photoacoustic detection which employs a quartz tuning fork as an acoustic transducer. These sensors enable detection of trace gases for air quality monitoring, industrial process control, and medical diagnostics. To detect a trace gas, modulated laser radiation is directed between the tines of a tuning fork. The optical energy absorbed by the gas results in a periodic thermal expansion which gives rise to a weak acoustic pressure wave. This pressure wave excites a resonant vibration of the tuning fork thereby generating an electrical signal via the piezoelectric effect. This paper describes a theoretical model of a QEPAS sensor. By deriving analytical solutions for the partial differential equations in the model, we obtain a formula for the piezoelectric current in terms of the optical, mechanical, and electrical parameters of the system. We use the model to calculate the optimal position of the laser beam with respect to the tuning fork and the phase of the piezoelectric current. We also show that a QEPAS transducer with a particular 32.8 kHz tuning fork is 2-3 times as sensitive as one with a 4.25 kHz tuning fork. These simulation results closely match experimental data.

  9. Quartz-enhanced photo-acoustic spectroscopy for breath analyses

    Science.gov (United States)

    Petersen, Jan C.; Lamard, Laurent; Feng, Yuyang; Focant, Jeff-F.; Peremans, Andre; Lassen, Mikael

    2017-03-01

    An innovative and novel quartz-enhanced photoacoustic spectroscopy (QEPAS) sensor for highly sensitive and selective breath gas analysis is introduced. The QEPAS sensor consists of two acoustically coupled micro- resonators (mR) with an off-axis 20 kHz quartz tuning fork (QTF). The complete acoustically coupled mR system is optimized based on finite element simulations and experimentally verified. Due to the very low fabrication costs the QEPAS sensor presents a clear breakthrough in the field of photoacoustic spectroscopy by introducing novel disposable gas chambers in order to avoid cleaning after each test. The QEPAS sensor is pumped resonantly by a nanosecond pulsed single-mode mid-infrared optical parametric oscillator (MIR OPO). Spectroscopic measurements of methane and methanol in the 3.1 μm to 3.7 μm wavelength region is conducted. Demonstrating a resolution bandwidth of 1 cm-1. An Allan deviation analysis shows that the detection limit at optimum integration time for the QEPAS sensor is 32 ppbv@190s for methane and that the background noise is solely due to the thermal noise of the QTF. Spectra of both individual molecules as well as mixtures of molecules were measured and analyzed. The molecules are representative of exhaled breath gasses that are bio-markers for medical diagnostics.

  10. The Suitability Of Local Quartz Sand In The Production Of Bath Crucibles.

    OpenAIRE

    C. O. Okpanachi; S. I. Ibrahim; A. C. Okoro; K. Dogo; M. K. Idris

    2015-01-01

    The suitability of local quartz sand in the production of bath crucibles is a study that was carried out in order to impart overall strength on bath crucibles hence reduce breakages during fettling. Therefore this research constitutes a study to enhance the efficiency of production of bath crucibles by addition of quartz sand in slip preparation. The steps taken in the beneficiation of quartz sand for the production of bath crucibles are comminution which entails crushing and milling classifi...

  11. Molecular dynamics investigation into the adsorption of oil-water-surfactant mixture on quartz

    Science.gov (United States)

    Xuefen, Zhang; Guiwu, Lu; Xiaoming, Wen; Hong, Yang

    2009-04-01

    Molecular dynamics (MD) simulations have been carried out to investigate the adsorption behavior of different surfactants-water-oil mixture on quartz surfaces. The effects of rhamnolipid, sodium dodecyl benzene sulfonate and sodium hexadecyl sulfonate on binding energy and radial distribution function (RDF) of oil-quartz are calculated at molecular level. The study shows that these surfactants can reduce binding energy between oil molecules and quartz surface, which plays a role of oil-displacing agent.

  12. Hydrothermal Synthesis of Monodisperse Single-Crystalline Alpha-Quartz Nanospheres

    Science.gov (United States)

    Jiang, Xingmao; Jiang, Ying-Bing

    2014-01-01

    Uniformly-sized, single-crystal alpha-quartz nanospheres have been synthesized at 200°C and 15atm under continuous stirring starting from uniform, amorphous Stöber silica colloids and using NaCl and alkali hydroxide as mineralizers. Quartz nanosphere size is controlled by the colloid particle size via direct devitrification. Uniform, high-purity nanocrystalline quartz is important for understanding nanoparticle toxicology and for advanced polishing and nanocomposite fabrication. PMID:21629887

  13. Halogens in pore water of peat bogs – the role of peat decomposition and dissolved organic matter

    Directory of Open Access Journals (Sweden)

    H. Biester

    2006-01-01

    Full Text Available Halogens are strongly enriched in peat and peatlands and such they are one of their largest active terrestrial reservoir. The enrichment of halogens in peat is mainly attributed to the formation of organohalogens and climatically controlled humification processes. However, little is known about release of halogens from the peat substrate and the distribution of halogens in the peat pore water. In this study we have investigated the distribution of chlorine, bromine and iodine in pore water of three pristine peat bogs located in the Magellanic Moorlands, southern Chile. Peat pore waters were collected using a sipping technique, which allows in situ sampling down to a depth greater than 6m. Halogens and halogen species in pore water were determined by ion-chromatography (IC (chlorine and IC-ICP-MS (bromine and iodine. Results show that halogen concentrations in pore water are 15–30 times higher than in rainwater. Mean concentrations of chlorine, bromine and iodine in pore water were 7–15 mg l−1, 56–123 μg l−1, and 10–20 μg l−1, which correspond to mean proportions of 10–15%, 1–2.3% and 0.5–2.2% of total concentrations in peat, respectively. Organobromine and organoiodine were the predominant species in pore waters, whereas chlorine in pore water was mostly chloride. Advection and diffusion of halogens were found to be generally low and halogen concentrations appear to reflect release from the peat substrate. Release of bromine and iodine from peat depend on the degree of peat degradation, whereas this relationship is weak for chlorine. Relatively higher release of bromine and iodine was observed in less degraded peat sections, where the release of dissolved organic carbon (DOC was also the most intensive. It has been concluded that the release of halogenated dissolved organic matter (DOM is the predominant mechanism of iodine and bromine release from peat.

  14. SI-traceable standards for atmospheric monitoring of halogenated gases

    Science.gov (United States)

    Guillevic, Myriam; Wyss, Simon A.; Pascale, Céline; Vollmer, Martin K.; Niederhauser, Bernhard; Reimann, Stefan

    2017-04-01

    To support atmospheric monitoring of greenhouse gases and in particular halogenated gases, we have developed a method to produce reference gas mixtures at nmol/mol (ppb) to pmol/mol levels (ppt). This method is dynamic and SI-traceable. This work is conducted in the framework of the EMRP projects HIGHGAS and KEY-VOCs as well as METAS' AtmoChemECV project. The method has been already applied to HFC-125 (pentafluoroethane, widely used in air conditioners), HFC-1234yf (2,3,3,3-tetrafluoropropene, a car air conditioner fluid of growing importance) and SF6 (insulant in electric switch-gears). It is currently being extended to HCFC-132b and CFC-13. It is particularly suitable for gas species and/or concentration ranges that are not stable in cylinders and it can be applied to a large variety of molecules related to air pollution and climate change (e.g., NO2, volatile organic compounds such as BTEX, NH3, water vapour at ppm level, CFCs, HCFCs, HFCs). The expanded uncertainty is less than 3 % (95 % confidence interval or k=2). The generation process is composed of four successive steps. In the first step the matrix gas, nitrogen or synthetic air is purified. Then this matrix gas is spiked with the pure substance, using a permeation device which contains a few grams of the pure substance (e.g., HFC-125) in the liquid form and loses it linearly over time by permeation through a membrane. This mass loss is precisely calibrated in our lab in Bern, using a magnetic suspension balance. In a third step the desired concentration is reached by dilution of the high concentration mixture exiting the permeation chamber with a chosen flow of the matrix gas in one or two subsequent dilution steps. All flows are piloted by mass flow controllers. All parts in contact with the gas mixture - including the balance - are passivated using coated surfaces, to reduce adsorption/desorption processes as much as possible. In the last step the mixture can be i) directly used to calibrate an

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

    Directory of Open Access Journals (Sweden)

    Jin-Feng Li

    2015-06-01

    Full Text Available The superhalogen properties of polynuclear structures without halogen ligand are theoretically explored here for several [M2(CN5]−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(CN5]−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.

  16. Investigation of Fastening Performance of Subminiature Serrated Bolt

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Myung Guen; Jeong, Jin Hwan; Jang, Yeon Hui; Kim, Hee Cheol; Kim, Jong-Bong [Seoul Nat’l Univ. of Science & Tech, Seoul (Korea, Republic of)

    2017-04-15

    As the size of electric products such as mobile phones and smart watches decrease, the bolts used to assemble these products should also be miniaturized. A miniature-sized bolt has to provide sufficient joining torque and anti-releasing torque to keep the components together. We studied a serrated bolt as a candidate for a miniature-sized fastener to increase the anti-releasing torque. In a serrated bolt, a serrated shape is formed on the bottom surface of the bolt head to create an obstacle to releasing. In this study, finite element analyses for the joining and releasing of bolts were carried out, and the anti-releasing performance was predicted. Based on the results of analyses using various numbers of serrations and fastening depths, the effects of the number of serrations and fastening depth on the anti-releasing performance were investigated.

  17. Quartz-Enhanced Photoacoustic Detection for Aerosol Optical Characterization

    Science.gov (United States)

    Hollinger, M.; Black, N.; Mazzoleni, C.

    2010-12-01

    Particulate matter emitted by anthropogenic and natural sources strongly affect the radiative budget of the Earth. Non-absorbing aerosols have a negative radiative forcing effect, acting to cool the planet and thereby masking the warming caused by greenhouse gases. Absorbing aerosols including black carbon, dust and brown carbon can provide positive radiative forcing at the top of the atmosphere depending on their optical properties. Due to its short atmospheric lifetime, black carbon can have a strong regional effect (e.g. in Himalaya and in the Arctic, where surface albedo is high). How much aerosols affect the Earth’s climate however remains highly uncertain. Providing accurate, widespread and unbiased measurements of aerosol optical properties is important for understanding how aerosols will affect the future climate system. However, in depth studies on aerosol optical properties, and in particular absorption, are still lacking. Photoacoustic spectrometry has been recently employed to measure aerosol absorption. The technique is more fundamental and unbiased then traditional filter-based techniques. This type of spectrometry exploits the photoacoustic effect, which is the production of an acoustic wave from the excitation of a particle absorbing a photon. Currently available commercial spectrometers are very useful for laboratory and field experiments, but due to their typical size, they are unpractical for studies employing small payload aircrafts (e.g. unmanned aircrafts) or balloons. A recent development in photoacoustic spectrometry reported by Kosterev et al. in 2002 is the use of a quartz tuning fork for the detection, termed Quartz-Enhanced Photoacoustic Spectrometry (QEPAS). Due to the high resonance frequency (~32 KHz) of the tuning fork, QEPAS has good potential for the miniaturization of a photoacoustic spectrometry system. The quartz tuning fork is piezoelectric, and a signal is generated only when the tines of the tuning fork move in opposite

  18. Chemoenzymatic halogenation of phenols by using the haloperoxidase from Curvularia inaequalis

    NARCIS (Netherlands)

    Fernández-Fueyo, E.; van Wingerden, M.; Renirie, R.; Wever, R.; Ni, Y.; Holtmann, D.; Hollmann, F.

    2015-01-01

    The vanadium-​dependent chloroperoxidase from Curvularia inaequalis is an efficient biocatalyst for the in situ generation of hypohalous acids and subsequent electrophilic oxidn.​/halogenation reactions. Esp., its superb activity and stability under operational conditions make it an attractive

  19. Electrophilic Halogenation of closo-1,2-C2B8H10.

    Science.gov (United States)

    Bakardjiev, Mario; Růžička, Aleš; Růžičková, Zdeňka; Holub, Josef; Tok, Oleg L; Štíbr, Bohumil

    2017-05-15

    Initial studies on electrophilic halogenation of the dicarbaborane closo-1,2-C2B8H10 (1) have been carried out to reveal that the substitution takes place at B7 and B10 vertexes, which are the most removed from the CH positions. The course of the halogenation is strongly dependent on the nature of the halogenation agent and reaction conditions. Individual reactions led to the isolation of the monosubstituted compounds 1,2-C2B8H9-10-X (2) (where X = F, I) and 1,2-C2B8H9-7-X (3) (where X = Cl, I). Disubstituted carboranes 1,2-C2B8H8-7,10-X2 (4) (where X = Cl, Br, I) were obtained under more forcing conditions. Individual halo derivatives were characterized by mass spectrometry and high-field NMR ((11)B, (1)H,(13)C) spectroscopy combined with two-dimensional [(11)B-(11)B]-COSY, (1)H{(11)B(selective)}, and [(11)B-(1)H]-correlation NMR techniques. All of the derivatives bearing a halogen substituent in the B10 position exhibit a remarkable antipodal (13)C and (1)H NMR shielding at the CH1 vertex, increasing in the order H < I < Br < Cl < F. The structures of 1,2-C2B8H8-7,10-X2 derivatives (where X = Cl, I, 4b,d) were established by X-ray diffraction analyses.

  20. Large area inkjet printing for organic solar cells and OLEDs using non-halogenated ink formulations

    NARCIS (Netherlands)

    Eggenhuisen, T.M.; Coenen, M.J.J.; Staats, T.W.L.; Gorter, H.; Sweelssen, J.; Groen, P.

    2013-01-01

    Transferring lab-scale processes of organic electronics to large area roll-to-roll production requires the use of up-scalable deposition techniques. Furthermore, industrial production demands the omission of halogenated and other harmful solvents. Here we discuss the solution processing of organic

  1. Phosphorylated lignin as a halogen-free flame retardant additive for epoxy composites

    Science.gov (United States)

    Gamini P. Mendis; Sydney G. Weiss; Matthew Korey; Charles R. Boardman; Mark Dietenberger; Jeffrey P. Youngblood; John A. Howarter

    2016-01-01

    Sustainable, non-halogenated flame retardants are desired for a variety of industry applications. Lignin, as an industrially processed wood derivative, has been examined as a potential sustainable flame retardant additive to polymer systems. Here, the lignin is phosphorylated using a pyridine-catalysed esterification reaction with diphenyl phosphoryl chloride to...

  2. Cytotoxicity and oxidative stress caused by dental adhesive systems cured with halogen and LED lights.

    Science.gov (United States)

    Spagnuolo, Gianrico; Annunziata, Marco; Rengo, Sandro

    2004-06-01

    The aim of the present study was to investigate the cytotoxicity of two "one bottle" adhesive systems after polymerization with a conventional halogen or a light emitting diode (LED) lamp. We hypothesized that different polymerization sources might enhance the intracellular production of reactive oxygen species (ROS), leading to reduced cell survival. Two "one bottle" adhesive systems (Optibond Solo and Scotchbond One) were cured with a commercial halogen (Optilux 500) and an LED source (Elipar Freelight, 3 M). The specimens were extracted for 24 h in complete cell culture medium or in phosphate-buffered saline (PBS). Endothelial cells (ECV 304) were exposed to the extracts for 24 h and survival rates were evaluated by the MTT assay. Then, ROS generation was monitored by the oxidation-sensitive fluorescent probe 2'7'-dichlorofluorescin diacetate (DCFH-DA). Extracts from all materials except for Optibond Solo polymerized with the halogen lamp were rated significantly cytotoxic. Scotchbond One cured with LED was the most toxic material, which reduced cell survival to about 23% compared with control cultures. Significantly higher amounts of ROS were produced in cell cultures treated with adhesives polymerized with the LED lamp compared with the materials cured with the commercial halogen light source. We demonstrated that the production of intracellular ROS by extracts of the adhesive systems depended on the light sources used for curing of the materials. These results suggested a possible link between ROS production and cytotoxic activity.

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

    NARCIS (Netherlands)

    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

    2017-01-01

    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

  4. Polydiphenylamine/Zeolite Y composites and electrical conductivity responses toward halogenated hydrocarbons

    Directory of Open Access Journals (Sweden)

    Tharaporn Permpool

    2013-01-01

    Full Text Available Composites of polydiphenylamine (D-PDPA and zeolite Y with H+ as the cation (Y_H+ have been fabricated to be used as a sensing material towards non-halogenated and halogenated solvents (hexane, dichloromethane, 1, 2-dichloroethane, chloroform. These composites are toxic towards human and environment and are widely used as solvents in various industries. Polydiphenylamine, zeolite Y, and their composites are characterized by Fourier transform infrared spectroscopy, scanning electron microscopy, particle size analysis, surface area, and pore size analysis. The effects of the Si/Al ratio, zeolite content, and vapor concentrations are investigated. The electrical conductivity sensitivity of the composites towards the solvents is higher than the pristine D-PDPA by ~1 order of magnitude. The composites can discriminate a non-halogenated solvent from halogenated solvents. They possess maximum electrical conductivity sensitivity values towards dichloromethane, but the composites do not respond to hexane. Generally, the sensitivity of the composites increases with increasing zeolite content and vapor concentration. The interactions between the composites and the vapors are investigated by FT-IR spectroscopy and UV-Vis spectroscopy. A mechanism for the interaction between the composites and the solvents is proposed.

  5. Covalency in Resonance-Assisted Halogen Bonds Demonstrated with Cooperativity in N-Halo-Guanine Quartets

    NARCIS (Netherlands)

    Wolters, L.P.; Smits, N.W.G.; Fonseca Guerra, C.

    2015-01-01

    Halogen bonds are shown to possess the same characteristics as hydrogen bonds: charge transfer, resonance assistance and cooperativity. This follows from the computational analyses of the structure and bonding in N-halo-base pairs and quartets. The objective was to achieve an understanding of the

  6. Acetalization of 2-Hydroxybenzaldehyde mechanism using halogen acid catalysts based on ab initio methods

    Science.gov (United States)

    Yusuf, Muhammad; Roza, Destria; Nasution, Ahmad Kamil

    2017-11-01

    The computational calculation was performed on the acetalization of 2-hydroxybenzaldehyde by using ab initio method. Ab initio method is derived directly from theoretical principles with no inclusion of experimental data and this is an approximate quantum mechanical calculation. The aim of this research was to studies the acetalization of 2-hydroxybenzaldehyde mechanism using halogen acid catalysts. Computational calculation which was applied on the acetalization of 2-hydroxybenzaldehyde using halogen acid catalysts provided possible reaction steps. The first step was formation of a labile hemiacetal because it is essentially tetrahedral intermediates containing a leaving group. The second step was formation of a stable acetal. The results of computational calculation of acetalization of 2-hydroxybenzaldehyde provided possible energy change in the each step of the reaction process. A labile hemiacetal showed higher energy (481.04 kJ/mol) than 2-hydroxybenzaldehyde dimethyl acetal (65.32 kJ/mol) and 2-hydroxybenzaldehyde (0 kJ/mol) due to its instability. In general, acetalization of 2-hydroxybenzaldehyde reaction is a reversible reaction. The effect of Lewis acidity on halogen acid catalysts was also studied in this research. Based on the Mulliken charge on the H atom, it is found that HF has the highest Lewis acidity compared to other halogen acids with order HF> HCl> HBr> HI. As a result, HF was the efficient catalysts for acetalization of 2-Hydroxybenzaldehyde.

  7. Analysis of an unusual hetero-halogen bonded trimer using charge ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 128; Issue 10. Analysis of an unusual hetero-halogen bonded trimer using charge density analysis: A case of concerted type I Br· · · Br and type II Br· · · Cl interactions. MYSORE S PAVAN TAYUR N GURU ROW. Regular Article Volume 128 Issue 10 October 2016 pp ...

  8. Page 1 36 SIR. C. V. RAMAN - * * * * º the the metal and halogen ...

    Indian Academy of Sciences (India)

    the metal and halogen atoms differ greatly in their Sizºº. It is low when -. The former situation IS two sets of atoms are of comparable dimensions. -. * - * €SČ exemplified by the lithium halides and the ... ing unit is essential for any particular mode of vibration to exhibit activity. The magnitude of the displacement of charge is ...

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

    Science.gov (United States)

    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.

  10. 40 CFR 721.275 - Halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide.

    Science.gov (United States)

    2010-07-01

    ... AGENCY (CONTINUED) TOXIC SUBSTANCES CONTROL ACT SIGNIFICANT NEW USES OF CHEMICAL SUBSTANCES Significant... identified generically as halogenated-N-(2-propenyl)-N-(substituted phenyl) acetamide (P-83-1085) is subject... section except as modified by this paragraph. (1) Recordkeeping. The following recordkeeping requirements...

  11. Free Radical Halogenation, Selectivity, and Thermodynamics: The Polanyi Principle and Hammond's Postulate

    Science.gov (United States)

    Scala, Alfred A.

    2004-01-01

    The underlying ideas of the Polanyi principle and Hammond's postulate in relation to the simple free halogenation reactions and their selectivity and thermodynamics is presented. The results indicate that the chlorine atom exhibits a slightly less selectivity in the liquid phase as compared to in the gas phase.

  12. Halogen-free ionic liquids and their utilization as cellulose solvents

    Science.gov (United States)

    Gräsvik, John; Eliasson, Bertil; Mikkola, Jyri-Pekka

    2012-11-01

    This work demonstrates a novel synthesis route to halogen-free ionic liquids. A one-pot synthetic reaction route avoiding the use of toxic and high-energetic alkyl halides was developed to reduce the environmental impact of the synthesis process of ionic liquids. However, the elimination of halogens and alkyl halides in the preparation of ionic liquids is not just an environmental issue: the aforementioned species are also among the most common and persistent contaminants in today's Ionic Liquids (ILs). Thus, this paper introduces a range of quaternized nitrogen based ionic liquids, including both aromatic and non-aromatic components, all prepared without alkyl halides in any step of the process. Moreover, bio-renewable precursors such as (bio-)alcohols and carboxylic acids were employed as anion sources and alkylation media, thus avoiding halogen contamination or halogen-containing anions. The IL's prepared were designed to dissolve cellulose, some of which was included in a cellulose dissolution study using a sulphite cellulose from the company Domsjö.

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

    Science.gov (United States)

    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.

  14. About the nature of halogen bond interaction under the spatial confinement

    Science.gov (United States)

    Roztoczyńska, Agnieszka; Lipkowski, Paweł; Kozłowska, Justyna; Bartkowiak, Wojciech

    2017-04-01

    Nowadays, much attention is put toward the description of noncovalent complexes exposed to the high pressure or embedded in confining environments. Such conditions may strongly modify the physical and chemical properties of molecular systems. This study focuses on the theoretical description of the confinement induced changes in geometry and energetic parameters of the halogen bonded FCl⋯CNF complex. A model analytical potential is applied to render the effect of orbital compression. In order to analyze the nature of halogen bond interaction, in the presence of spatial confinement, the supermolecular approach together with the symmetry-adapted perturbation theory is used. Furthermore, a thorough analysis of topological parameters, characterizing the halogen bond upon orbital compression, is performed within the quantum theory of atoms in molecules. The calculations are carried out using the ωB97x and CCSD(T) methods in connection with the aug-cc-pVTZ basis set. Among others, the obtained results indicate that the spatial confinement not only modifies the nature of halogen bond interaction but also induces the appearance of a completely new form of the studied FCl⋯CNF system.

  15. 21 CFR 700.15 - Use of certain halogenated salicylanilides as ingredients in cosmetic products.

    Science.gov (United States)

    2010-04-01

    ... ingredients in cosmetic products. 700.15 Section 700.15 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) COSMETICS GENERAL Requirements for Specific Cosmetic Products § 700.15 Use of certain halogenated salicylanilides as ingredients in cosmetic products. (a...

  16. New Route to Synthesize Surface Organometallic Complexes (SOMC): An Approach by Alkylating Halogenated Surface Organometallic Fragments

    KAUST Repository

    Hamieh, Ali Imad

    2017-02-01

    The aim of this thesis is to explore new simpler and efficient routes for the preparation of surface organometallic complexes (SOMC) for the transformation of small organic molecules to valuable products. The key element in this new route relies on surface alkylation of various halogenated surface coordination complexes or organometallic fragments (SOMF).

  17. Molecular mechanism of metal-independent decomposition of lipid hydroperoxide 13-HPODE by halogenated quinoid carcinogens.

    Science.gov (United States)

    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.

  18. Performance analysis of photoresistor and phototransistor for automotive’s halogen and xenon bulbs light output

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  20. Gamma Induced Transparency Loss of Thick Quartz Fibres

    CERN Document Server

    Avezov, Anvar; Gasanov, Eldar; Ibragimova, Elvira; Rustamov, Igor; Ulughbek, P; Volodko, Anton; Yuldashev, Bekhzad S

    1997-01-01

    Radiation response of thick multi-mode Ge, P, F -doped quartz fibre has been examined after exposure to 60^Co gamma-source within a dose interval of 10 - 10^7 Gy at a dose power of 2.3 and 24 Gy/s at 300K. The induced transparency losses A at the wave length of 1.06 mkm do not exceed 0.2 after a dose of 10^6 Gy and reach a saturation, while the fibres are closed for visible light after a smaller dose. Varying focus and an angle of leading a probe light beam in fibre, the core modes were found to close at a dose of 10^4 Gy due to radiation induced colour centres of Ge and non-bridging oxygen O, and the clad modes were suppressed at 500 Gy by the expense of Al impurity colour centres.

  1. Measuring the diffraction properties of an imaging quartz(211) crystal

    Energy Technology Data Exchange (ETDEWEB)

    Haugh, M. J.; Jacoby, K. D.; Koch, J. A. [National Security Technologies, LLC, Livermore, California 94550 (United States); Chen, H.; Schneider, M. B. [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550 (United States); Hill, K. W. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States)

    2016-06-15

    A dual goniometer X-ray system was used to measure the reflectivity curve for a spherically bent quartz(211) crystal. An analysis of the dual goniometer instrument response function for the rocking curve width measurement was developed and tested against the actual measurements. The rocking curve was measured at 4510.8 eV using the Ti Kα1 characteristic spectral line. The crystal is the dispersion element for a high resolution spectrometer used for plasma studies. It was expected to have a very narrow rocking curve width. The analysis showed that we could measure the upper bound for the rocking curve width of the Qz(211) crystal. The upper bound was 58 μrad giving a lower bound for the instrument resolving power E/ΔE = 34 000. Greatly improved insight into the dual goniometer operation and its limitations was achieved.

  2. Respiratory Monitoring by Porphyrin Modified Quartz Crystal Microbalance Sensors

    Directory of Open Access Journals (Sweden)

    Seung-Woo Lee

    2011-01-01

    Full Text Available A respiratory monitoring system based on a quartz crystal microbalance (QCM sensor with a functional film was designed and investigated. Porphyrins 5,10,15,20-tetrakis-(4-sulfophenyl-21H,23H-porphine (TSPP and 5,10,15,20-tetrakis-(4-sulfophenyl-21H, 23H-porphine manganese (III chloride (MnTSPP used as sensitive elements were assembled with a poly(diallyldimethyl ammonium chloride (PDDA. Films were deposited on the QCM resonators using layer-by-layer method in order to develop the sensor. The developed system, in which the sensor response reflects lung movements, was able to track human respiration providing respiratory rate (RR and respiratory pattern (RP. The sensor system was tested on healthy volunteers to compare RPs and calculate RRs. The operation principle of the proposed system is based on the fast adsorption/desorption behavior of water originated from human breath into the sensor films deposited on the QCM electrode.

  3. Finite Element Analysis of Electrically Excited Quartz Tuning Fork Devices

    Science.gov (United States)

    Oria, Roger; Otero, Jorge; González, Laura; Botaya, Luis; Carmona, Manuel; Puig-Vidal, Manel

    2013-01-01

    Quartz Tuning Fork (QTF)-based Scanning Probe Microscopy (SPM) is an important field of research. A suitable model for the QTF is important to obtain quantitative measurements with these devices. Analytical models have the limitation of being based on the double cantilever configuration. In this paper, we present an electromechanical finite element model of the QTF electrically excited with two free prongs. The model goes beyond the state-of-the-art of numerical simulations currently found in the literature for this QTF configuration. We present the first numerical analysis of both the electrical and mechanical behavior of QTF devices. Experimental measurements obtained with 10 units of the same model of QTF validate the finite element model with a good agreement. PMID:23722828

  4. Finite Element Analysis of Electrically Excited Quartz Tuning Fork Devices

    Directory of Open Access Journals (Sweden)

    Manel Puig-Vidal

    2013-05-01

    Full Text Available Quartz Tuning Fork (QTF-based Scanning Probe Microscopy (SPM is an important field of research. A suitable model for the QTF is important to obtain quantitative measurements with these devices. Analytical models have the limitation of being based on the double cantilever configuration. In this paper, we present an electromechanical finite element model of the QTF electrically excited with two free prongs. The model goes beyond the state-of-the-art of numerical simulations currently found in the literature for this QTF configuration. We present the first numerical analysis of both the electrical and mechanical behavior of QTF devices. Experimental measurements obtained with 10 units of the same model of QTF validate the finite element model with a good agreement.

  5. Quartz-Enhanced Photoacoustic Spectroscopy with Right-Angle Prism.

    Science.gov (United States)

    Liu, Yongning; Chang, Jun; Lian, Jie; Liu, Zhaojun; Wang, Qiang; Qin, Zengguang

    2016-02-06

    A right-angle prism was used to enhance the acoustic signal of a quartz-enhanced photoacoustic spectroscopy (QEPAS) system. The incident laser beam was parallelly inverted by the right-angle prism and passed through the gap between two tuning fork prongs again to produce another acoustic excitation. Correspondingly, two pairs of rigid metal tubes were used as acoustic resonators with resonance enhancement factors of 16 and 12, respectively. The QEPAS signal was enhanced by a factor of 22.4 compared with the original signal, which was acquired without resonators or a prism. In addition, the system noise was reduced a little with double resonators due to the Q factor decrease. The signal-to-noise ratio (SNR) was greatly improved. Additionally, a normalized noise equivalent absorption coefficient (NNEA) of 5.8 × 10(-8) W·cm(-1)·Hz(-1/2) was achieved for water vapor detection in the atmosphere.

  6. Quartz-Enhanced Photoacoustic Spectroscopy with Right-Angle Prism

    Directory of Open Access Journals (Sweden)

    Yongning Liu

    2016-02-01

    Full Text Available A right-angle prism was used to enhance the acoustic signal of a quartz-enhanced photoacoustic spectroscopy (QEPAS system. The incident laser beam was parallelly inverted by the right-angle prism and passed through the gap between two tuning fork prongs again to produce another acoustic excitation. Correspondingly, two pairs of rigid metal tubes were used as acoustic resonators with resonance enhancement factors of 16 and 12, respectively. The QEPAS signal was enhanced by a factor of 22.4 compared with the original signal, which was acquired without resonators or a prism. In addition, the system noise was reduced a little with double resonators due to the Q factor decrease. The signal-to-noise ratio (SNR was greatly improved. Additionally, a normalized noise equivalent absorption coefficient (NNEA of 5.8 × 10−8 W·cm−1·Hz−1/2 was achieved for water vapor detection in the atmosphere.

  7. Optical Detection Technique Using Quartz-Enhanced Photoacoustic Spectrum

    Science.gov (United States)

    Wu, Hongpeng; Zhang, Dongdong; Dong, Lei; Zheng, Huadan; Liu, Yanyan; Yin, Wangbao; Ma, Weiguang; Zhang, Lei; Jia, Suotang

    2015-06-01

    A new optical detection approach based on quartz-enhanced photoacoustic spectroscopy (QEPAS) to detect gases is developed. The new method not only employs a modulated laser to excite acoustic wave, as the general QEPAS does, but also adds an extra laser beam without modulation as the detection source to transform the prong vibration into a laser intensity change. Due to the mechanical vibration of the prongs, the intensity of the reflection laser beam is modulated. Thus, the information of the target gas (composition, concentration, etc.) is obtained by demodulating the reflected light. The achieved sensitivity of is inter-compared to the sensitivity of the conventional QEPAS. Further developments of the new optical detection approach are also discussed in detail.

  8. Is quartz a potential indicator of ultrahigh-pressure metamorphism? Laser Raman spectroscopy of quartz inclusions in ultrahigh-pressure garnets

    OpenAIRE

    Korsakov, Andrey V.; Perraki, Maria; Zhukov, Vladimir P.; De Gussem, Kris; Vandenabeele, Peter; Tomilenko, Anatoly A.

    2009-01-01

    Laser Raman microspectroscopy was applied to quartz inclusions in coesite- and diamond-grade metapelites from the Kokchetav ultrahigh-pressure metamorphic (UHPM) complex, Northern Kazakhstan, and diamond-grade eclogite xenoliths from the Mir kimberlite pipe, Yakutiya, Russia to assess the quantitative correlation between the Raman frequency shift and metamorphic pressure. Quartz crystals sealed in garnets have a higher frequency shift than those in the matrix. Residual pressures retained by q...

  9. Thermoluminescence response of natural white quartz collected from Gelephu, Bhutan

    Energy Technology Data Exchange (ETDEWEB)

    Kalita, J.M., E-mail: jitukalita09@gmail.com; Wary, G.

    2016-09-15

    Highlights: • TL response of natural white quartz collected from Gelephu, Bhutan was studied. • There was five trapping sites at depths ∼0.68, 0.90, 0.97, 1.06 and 1.10 eV. • The 426 K TL peak showed linear dose response from 10 mGy to 10 Gy. • The 426 K TL peak was found to fade very slowly. - Abstract: TL properties of natural quartz mineral collected from Gelephu, (Bhutan) were studied. With the help of various characterization techniques the quality of the sample was tested. The thermoluminescence (TL) analysis was carried out under X-ray irradiation. The un-irradiated sample showed no TL signal; however, after X-ray irradiation, a composite glow curve was observed. The kinetic analysis of the glow curve was carried out and it was observed that there was five trapping sites at depths ∼0.68, 0.90, 0.97, 1.06 and 1.10 eV responsible for five closely spaced glow peaks at ∼341, 362, 383, 397 and 426 K respectively. The dosimetric features of the mineral were studied. The response when studied from the whole glow curve was non-linear. However, the dose response studied from the 426 K peak was found to be linear from 10 mGy to 10 Gy. The fading of the TL signal of this 426 K peak was ∼12% within 5 days after irradiation and onward it was ∼4% up to 30 days. The reproducibility of the results was also good.

  10. Halogen-induced organic aerosol (XOA) formation and decarboxylation of carboxylic acids by reactive halogen species - a time-resolved aerosol flow-reactor study

    Science.gov (United States)

    Ofner, Johannes; Zetzsch, Cornelius

    2013-04-01

    Reactive halogen species (RHS) are released to the atmosphere from various sources like photo-activated sea-salt aerosol and salt lakes. Recent studies (Cai et al., 2006 and 2008, Ofner et al., 2012) indicate that RHS are able to interact with SOA precursors similarly to common atmospheric oxidizing gases like OH radicals and ozone. The reaction of RHS with SOA precursors like terpenes forms so-called halogen-induced organic aerosol (XOA). On the other hand, RHS are also able to change the composition of functional groups, e.g. to initiate the decarboxylation of carboxylic acids (Ofner et al., 2012). The present study uses a 50 cm aerosol flow-reactor, equipped with a solar simulator to investigate the time-resolved evolution and transformation of vibrational features in the mid-infrared region. The aerosol flow-reactor is coupled to a home-made multi-reflection cell (Ofner et al., 2010), integrated into a Bruker IFS 113v FTIR spectrometer. The reactor is operated with an inlet feed (organic compound) and a surrounding feed (reactive halogen species). The moveable inlet of the flow reactor allows us to vary reaction times between a few seconds and up to about 3 minutes. Saturated vapours of different SOA precursors and carboxylic acids were fed into the flow reactor using the moveable inlet. The surrounding feed inside the flow reactor was a mixture of zero air with molecular chlorine as the precursor for the formation of reactive halogen species. Using this setup, the formation of halogen-induced organic aerosol could be monitored with a high time resolution using FTIR spectroscopy. XOA formation is characterized by hydrogen-atom abstraction, carbon-chlorine bond formation and later, even formation of carboxylic acids. Several changes of the entire structure of the organic precursor, caused by the reaction of RHS, are visible. While XOA formation is a very fast process, the decarboxylation of carboxylic acids, induced by RHS is rather slow. However, XOA formation

  11. Coupling of HOx, NOx and halogen chemistry in the antarctic boundary layer

    Directory of Open Access Journals (Sweden)

    R. A. Salmon

    2010-11-01

    Full Text Available A modelling study of radical chemistry in the coastal Antarctic boundary layer, based upon observations performed in the course of the CHABLIS (Chemistry of the Antarctic Boundary Layer and the Interface with Snow campaign at Halley Research Station in coastal Antarctica during the austral summer 2004/2005, is described: a detailed zero-dimensional photochemical box model was used, employing inorganic and organic reaction schemes drawn from the Master Chemical Mechanism, with additional halogen (iodine and bromine reactions added. The model was constrained to observations of long-lived chemical species, measured photolysis frequencies and meteorological parameters, and the simulated levels of HOx, NOx and XO compared with those observed. The model was able to replicate the mean levels and diurnal variation in the halogen oxides IO and BrO, and to reproduce NOx levels and speciation very well. The NOx source term implemented compared well with that directly measured in the course of the CHABLIS experiments. The model systematically overestimated OH and HO2 levels, likely a consequence of the combined effects of (a estimated physical parameters and (b uncertainties within the halogen, particularly iodine, chemical scheme. The principal sources of HOx radicals were the photolysis and bromine-initiated oxidation of HCHO, together with O(1D + H2O. The main sinks for HOx were peroxy radical self- and cross-reactions, with the sum of all halogen-mediated HOx loss processes accounting for 40% of the total sink. Reactions with the halogen monoxides dominated CH3O2-HO2-OH interconversion, with associated local chemical ozone destruction in place of the ozone production which is associated with radical cycling driven by the analogous NO reactions. The analysis highlights the need for observations of physical parameters such as aerosol surface area and boundary layer structure to constrain such calculations, and the dependence of simulated radical levels

  12. Extending Halogen-based Medicinal Chemistry to Proteins: IODO-INSULIN AS A CASE STUDY.

    Science.gov (United States)

    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 (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. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  13. LED vs halogen light-curing of adhesive-precoated brackets.

    Science.gov (United States)

    Mirabella, Davide; Spena, Raffaele; Scognamiglio, Giovanni; Luca, Lombardo; Gracco, Antonio; Siciliani, Giuseppe

    2008-09-01

    To test the hypothesis that bonding with a blue light-emitting diode (LED) curing unit produces no more failures in adhesive-precoated (APC) orthodontic brackets than bonding carried out by a conventional halogen lamp. Sixty-five patients were selected for this randomized clinical trial, in which a total of 1152 stainless steel APC brackets were employed. In order to carry out a valid comparison of the bracket failure rate following use of each type of curing unit, each patient's mouth was divided into four quadrants. In 34 of the randomly selected patients, designated group A, the APC brackets of the right maxillary and left mandibular quadrants were bonded using a halogen light, while the remaining quadrants were treated with an LED curing unit. In the other 31 patients, designated group B, halogen light was used to cure the left maxillary and right mandibular quadrants, whereas the APC brackets in the remaining quadrants were bonded using an LED dental curing light. The bonding date, the type of light used for curing, and the date of any bracket failures over a mean period of 8.9 months were recorded for each bracket and, subsequently, the chi-square test, the Yates-corrected chi-square test, the Fisher exact test, Kaplan-Meier survival estimates, and the log-rank test were employed in statistical analyses of the results. No statistically significant difference in bond failure rate was found between APC brackets bonded with the halogen light-curing unit and those cured with LED light. However, significantly fewer bonding failures were noted in the maxillary arch (1.67%) than in the mandibular arch (4.35%) after each light-curing technique. The hypothesis cannot be rejected since use of an LED curing unit produces similar APC bracket failure rates to use of conventional halogen light, with the advantage of a far shorter curing time (10 seconds).

  14. Effect of substitution of sand stone dust for quartz and clay in triaxial ...

    Indian Academy of Sciences (India)

    Effect of substitution of sand stone dust for quartz and clay in triaxial porcelain composition. M K HALDAR and S K DAS. ∗. Refractories Division, CSIR-Central Glass & Ceramic Research Institute, 196, Raja S.C. Mullick Road,. Kolkata 700 032, India. MS received 6 July 2011; revised 8 February 2012. Abstract. Quartz and ...

  15. The Cherenkov correlated timing detector beam test results from quartz and acrylic bars

    CERN Document Server

    Sugaya, Y; Yoshimura, Y; Kanda, S; Olsen, S; Ueno, K; Varner, G S; Bergfeld, T; Bialek, J J; Lorenc, J; Palmer, M; Rudnick, G; Selen, M; Auran, T; Boyer, V; Honscheid, K; Tamura, N; Yoshimura, K; Lü, C; Marlow, D R; Mindas, C R; Prebys, E J; Asai, M; Kimura, A; Hayashi, S

    1995-01-01

    Several prototypes of a Cherenkov Correlated Timing (CCT) Detector have been tested at the KEK-PS test beam line. We describe the results for Cherenkov light yields and timing characteristics from quartz and acrylic bar prototypes. A Cherenkov angle resolution is found to be 15 mrad at a propagation distance of 100 cm with a 2 cm thick quartz bar prototype.

  16. The Suitability Of Local Quartz Sand In The Production Of Bath Crucibles.

    Directory of Open Access Journals (Sweden)

    C. O. Okpanachi

    2017-03-01

    Full Text Available The suitability of local quartz sand in the production of bath crucibles is a study that was carried out in order to impart overall strength on bath crucibles hence reduce breakages during fettling. Therefore this research constitutes a study to enhance the efficiency of production of bath crucibles by addition of quartz sand in slip preparation. The steps taken in the beneficiation of quartz sand for the production of bath crucibles are comminution which entails crushing and milling classification washing liquid dispersion sizing and reduction of iron content by magnetic separation. The slip contains materials like plastic clay feldspar kaolin talc sodium silicate water quartz sand etc. These were all milled in the ball mill for slip production casting and fettling glazing and sintering to get final bath crucibles as the end products. Quartz sand is used in a variety of products essentially as raw material for the foundry casting and glass industries and also in chemicals water filtration and ceramics the heat resistance nature of quartz sand makes it an excellent refractory substance for these industrial processes. Slip can be prepared for production of bath crucibles without the inclusion of quartz sand however the addition of quartz sand is needed to improve the mechanical performance of the slip in the production of bath crucibles.

  17. Effect of substitution of sand stone dust for quartz and clay in triaxial ...

    Indian Academy of Sciences (India)

    Quartz and kaolin were partially substituted by sand stone dust (a siliceous byproduct of Indian stone cutting and polishing industries) in a traditional triaxial porcelain composition consisting of kaolin, quartz and feldsper. The effect of substitution upon heating at different temperatures (1050–1150°C) were studied by ...

  18. Detection of Sarin with a Fluorinated Polymer-coated Quartz Crystal ...

    African Journals Online (AJOL)

    A quartz crystal microbalance (QCM) modified with a thin layer of fluorinated polymer was utilized to determine sarin. Determination was based on the frequency shifts due to the adsorption and desorption of the compound at the surface of a modified quartz crystal electrode. Fluorosiloxane was synthesized and deposited ...

  19. Detection of Sarin with a Fluorinated Polymer-coated Quartz Crystal ...

    African Journals Online (AJOL)

    NJD

    2007-09-07

    Sep 7, 2007 ... A quartz crystal microbalance (QCM) modified with a thin layer of fluorinated polymer was utilized to determine sarin. Determination was based on the frequency shifts due to the adsorption and desorption of the compound at the surface of a modified quartz crystal electrode. Fluorosiloxane was synthesized ...

  20. Charge movement in grains of quartz studied using exo-electron emission

    DEFF Research Database (Denmark)

    Ankjærgaard, Christina; Denby, Phil M.; Murray, A.S.

    2008-01-01

    movement in luminescence phosphors. Here we show that OSE from natural quartz grains gives an easily detectable, reproducible and light sensitive signal, although it is not as intense as OSL. A single sample of natural quartz grains extracted from a sediment is used to investigate the thermal stability...

  1. Optical dating of single sand-sized grains of quartz: Sources of variability

    DEFF Research Database (Denmark)

    Duller, G.A.T.; Bøtter-Jensen, L.; Murray, A.S.

    2000-01-01

    Optically stimulated luminescence (OSL) measurements have been made of over 3000 sand-sized grains of quartz. Analysis at this scale highlights the variability in the luminescence sensitivity and the dose saturation characteristics of individual quartz grains. Using a new instrument capable of me...... intensity, dose saturation characteristics and instrument uncertainty in equivalent dose calculation. (C) 2000 Elsevier Science Ltd. All rights reserved....

  2. Optically stimulated luminescence techniques in retrospective dosimetry using single grains of quartz extracted from unheated materials

    DEFF Research Database (Denmark)

    Thomsen, Kristina Jørkov

    dosimetry). Special attention has been paid to quartz extracted from unheated building materials such as concrete and mortar. The single-aliquot regeneration-dose (SAR) protocol has been used to determine absorbeddoses in small aliquots as well as single grains of quartz. It is shown that OSL measurements...

  3. Control of Montmorillonite Surface Coatings on Quartz Grains in Bentonite by Precursor Volcanic Glass

    Science.gov (United States)

    Wendlandt, R. F.; Harrison, W. J.

    2008-12-01

    The pathogenic tendencies of respirable-sized quartz grains may be dependent on inherent characteristics of the quartz as well as external factors. Surface coatings on quartz are of particular interest as they modify both physical and chemical properties of quartz grain surfaces and sequester the grain from contact with reactive lung fluids. Wendlandt et al. (Appl. Geochem. 22, 2007) investigated the surface properties of respirable-sized quartz grains in bentonites and recognized pervasive montmorillonite surface coatings on the quartz that resisted removal by repeated vigorous washings and reaction with HCl. To understand the persistence of montmorillonite coatings on quartz grains of igneous origin, volcanic ash deposits of varying age and degree of alteration to montmorillonite were sampled in Utah, including the distal Lava Creek (c. 0.64 Ma) and Bishop Tuffs (c. 0.74 Ma), and SW Colorado (Conejos Fm, San Juan Volcanic Field) for comparison with commercial grade Cretaceous-age "western" and "southern" bentonites. Quartz grains, hand-picked from these samples, were analyzed using FE-SEM and HRTEM. Continuous coatings of volcanic glass occur on quartz grains from the distal volcanic ash samples. As glass alteration to montmorillonite becomes more extensive, quartz grain surfaces start to display patches of montmorillonite. These patches become continuous in extent on quartz grains from the bentonites. Late precipitation of opal- CT lepispheres is consistent with the alteration reaction for volcanic glass: Volcanic glass + H2O = montmorillonite + SiO2(am) + ions(aq). HRTEM of quartz grains reveals an amorphous surface layer, consistent with a volcanic glass coating. Our results indicate that persistent montmorillonite coatings on quartz grains in bentonites are related to precursor volcanic glass coatings on these grains. The absence of glass coatings on other mineral grains in bentonite (feldspar, biotite) may be a consequence of the presence of strong cleavage

  4. Cathodoluminescence investigations on quartz cement in sandstones of Khabour Formation from Iraqi Kurdistan region, northern Iraq

    DEFF Research Database (Denmark)

    Omer, Muhamed Fakhri; Friis, Henrik

    The Ordovician deltaic to shallow marine Khabour Formation in Northern Iraq consists mainly of sandstone with minor siltstone and interbedded shale. The sandstones are pervasively cemented by quartz that resulted in very little preserved primary porosity. Cathodoluminescence and petrographic...... in silica supply which were classified as very early and early, derived from dissolved biogenic silica that precipitated as opal/microquartz, possibly pre-compactional and of non-luminescent quartz overgrowth type. This was followed by phases whose silica supply derived from pressure solution of quartz......, dissolution of feldspar, and hydrothermal fluids related to major thrust fault event. These successive quartz cement phases showed an increase in luminescence and the development of complicated zonation pattern in late-stage quartz cementation....

  5. Determination of SiO2 Raman spectrum indicating the transformation from coesite to quartz in Gföhl migmatitic gneisses in the Moldanubian Zone, Czech Republic

    National Research Council Canada - National Science Library

    Tomoyuki KOBAYASHI; Takao HIRAJIMA; Yoshikuni HIROI; Martin SVOJTKA

    2008-01-01

    .... The Raman spectrum is composed of the intense vibrations of quartz at 464, 393 and 266 cm-1 of quartz and the weak vibration of coesite at 521 cm-1 is obtained from the quartz proximal to the relict...

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

    Science.gov (United States)

    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

  7. Halogen-based reconstruction of Russian Arctic sea ice area from the Akademii Nauk ice core (Severnaya Zemlya)

    National Research Council Canada - National Science Library

    A. Spolaor; T. Opel; J. R. McConnell; O. J. Maselli; G. Spreen; C. Varin; T. Kirchgeorg; D. Fritzsche; A. Saiz-Lopez; P. Vallelonga

    2016-01-01

    ... (Severnaya Zemlya, Russian Arctic). The chemistry of halogens bromine (Br) and iodine (I) is strongly active and influenced by sea ice dynamics, in terms of physical, chemical and biological process...

  8. The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational study.

    Science.gov (United States)

    Esrafili, Mehdi D; Asadollahi, Soheila

    2017-05-01

    In this work, we investigate the effect of a cation-π interaction on the cooperativity of X⋯N halogen bonds in PhX⋯NCX⋯NH3 complexes, where Ph=phenyl and X=Cl, Br, I. Molecular geometries and interaction energies of the resulting complexes are studied at the MP2/aug-cc-pVDZ(-PP) computational level. The mechanism of the cooperativity between halogen bonds is analyzed using parameters derived from the noncovalent index, quantum theory of atoms in molecules and natural bond orbital methodologies. It is found that the divalent cations (Be2+, Mg2+) have a larger influence on the cooperativity of halogen bonds than monovalent ones (Li+, Na+). The formation of a cation-π interaction leads to strengthening of the halogen bonds, hence increases their cooperativity. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. Mechanism of Metal-Independent Decomposition of Organic Hydroperoxides and Formation of Alkoxyl Radicals by Halogenated Quinones

    National Research Council Canada - National Science Library

    Ben-Zhan Zhu; Hong-Tao Zhao; Balaraman Kalyanaraman; Jun Liu; Guo-Qiang Shan; Yu-Guo Du; Balz Frei

    2007-01-01

    The metal-independent decomposition of organic hydroperoxides and the formation of organic alkoxyl radicals in the absence or presence of halogenated quinones were studied with electron spin resonance (ESR...

  10. Fast heating induced impulse halogenation of refractory sample components in electrothermal atomic absorption spectrometry by direct injection of a liquid halogenating agent.

    Science.gov (United States)

    György, Krisztina; Ajtony, Zsolt; Van Meel, Katleen; Van Grieken, René; Czitrovszky, Aladár; Bencs, László

    2011-09-15

    A novel electrothermal atomic absorption spectrometry (ETAAS) method was developed for the halogenation of refractory sample components (Er, Nd and Nb) of lithium niobate (LiNbO(3)) and bismuth tellurite (Bi(2)TeO(5)) optical single crystals to overcome memory effects and carry-over. For this purpose, the cleaning step of a regular graphite furnace heating program was replaced with a halogenation cycle. In this cycle, after the graphite tube cooled to room temperature, a 20 μL aliquot of liquid carbon tetrachloride (CCl(4)) was dispensed with a conventional autosampler into the graphite tube. The CCl(4) was partially dried at 80°C under the mini-flow (40 cm(3) min(-1)) condition of the Ar internal furnace gas (IFG), then the residue was decomposed (pyrolyzed) by fast furnace heating at 1900-2100°C under interrupted flow of the IFG. This step was followed by a clean-out stage at 2100°C under the maximum flow of the IFG. The advantage of the present method is that it does not require any alteration to the graphite furnace gas supply system in contrast to most of the formerly introduced halogenation techniques. The effectiveness of the halogenation method was verified with the determination of Er and Nd dopants in the optical crystals. In these analyses, a sensitivity decrease was observed, which was likely due to the enhanced deterioration of the graphite tube surface. Therefore, the application of mathematical correction (resloping) of the calibration was also required. The calibration curves were linear up to 1.5 and 10 μmol L(-1) for Er and Nd, respectively. Characteristic masses of 18 and 241 pg and the limit of detection (LOD) values of 0.017 and 0.27 μmol L(-1) were found for Er and Nd, respectively. These LOD data correspond to 0.68 μmol mol(-1) Er and 11 μmol mol(-1) Nd in solid bismuth tellurite samples. The analytical results were compared with those obtained by a conventional ETAAS method and validated with X-ray fluorescence spectrometry analysis

  11. Design and verification of halogen-bonding system at the complex interface of human fertilization-related MUP PDZ5 domain with CAMK's C-terminal peptide.

    Science.gov (United States)

    Wang, Juan; Guo, Yunjie; Zhang, Xue

    2017-11-21

    Calmodulin-dependent protein kinase (CAMK) is physiologically activated in fertilized human oocytes and is involved in the Ca2+ 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.

  12. Experimental and modelling study of pulsed optically stimulated luminescence in quartz, marble and beta irradiated salt

    Energy Technology Data Exchange (ETDEWEB)

    Pagonis, V; Mian, S M; Barnold, C [Physics Department, McDaniel College, Westminster, MD 21158 (United States); Chithambo, M L [Department of Physics, Rhodes University, PO Box 94, Grahamstown 6140 (South Africa); Christensen, E, E-mail: vpagonis@mcdaniel.ed [Physics Department, Virginia Tech, VA 24061 (United States)

    2009-03-07

    Optical stimulation luminescence (OSL) signals can be obtained using continuous-wave optical stimulation (CW-OSL), the linear modulation optical stimulation method (LM-OSL) and the time-resolved optical stimulation (TR-OSL) method. During TR-OSL measurements, the stimulation and emission of luminescence are experimentally separated in time by using short light pulses. This paper presents new TR-OSL data for annealed high purity synthetic quartz, for marble and for commercially available iodized salt. A new type of behaviour for TR-OSL signals for quartz and iodized salt is presented, in which the OSL signal exhibits a nonmonotonic behaviour during optical stimulation; this type of behaviour has not been reported previously in the literature for quartz. Furthermore, a luminescence component with very long luminescence lifetime is reported for some quartz aliquots, which may be due to the presence of a delayed-OSL (DOSL) mechanism in quartz. A new kinetic model for TR-OSL in quartz is presented, which is based on a main electron trap and on several luminescence centres. The model is used to quantitatively fit several sets of experimental data of pulsed optically stimulated luminescence from quartz.

  13. Mechano-Chemical Preparation of Powder QUARTZ/TiO2 Composite Particles

    Science.gov (United States)

    Du, Gao-Xiang; He, Hao; Liao, Li-Bing; Wang, Li-Juan

    2013-03-01

    Titanium dioxide pigment is a white pigment of high performance. However, its production could cause severe environmental and resource problems. In this paper, powder quartz/TiO2 composite particles (PQ/TCP), a type of core (powder quartz)-shell(TiO2) composite powder, were prepared by a mechano-chemical method. The pigment properties of PQ/TCP and the mechanism of the mechano-chemical reaction between quartz and TiO2 were investigated. Orthogonal analyses of experimental vairables showed optimal pigment characteristics of PQ/TCP under the following conditions: 4 h of activation for powder quartz, mixing/grinding at 1000 rpm for 1 h, with a mixing slurry made of 50% powder quartz and 0.4% dispersant. Powder quartz was evenly coated by TiO2 and the Si-O-Ti bond was formed between powder quartz and TiO2 in PQ/TCP as revealed by FTIR analyses and confirmed by surface thermodynamic calculation.

  14. Quartz in ash, and air in a high lung cancer incidence area in China.

    Science.gov (United States)

    Downward, George S; Hu, Wei; Rothman, Nat; Reiss, Boris; Tromp, Peter; Wu, Guoping; Wei, Fusheng; Xu, Jun; Seow, Wei Jie; Chapman, Robert S; Lan, Qing; Vermeulen, Roel

    2017-02-01

    Exposure to crystalline silica (quartz) has been implicated as a potential cause of the high lung cancer rates in the neighbouring counties of Xuanwei and Fuyuan, China, where the domestic combustion of locally sourced "smoky" coal (a bituminous coal) is responsible for some of the highest lung cancer rates in the nation, irrespective of gender or smoking status. Previous studies have shown that smoky coal contains approximately twice as much quartz when compared to alternative fuels in the area, although it is unclear how the quartz in coal relates to household air pollution. Samples of ash and fine particulate matter (PM 2.5 ) were collected from 163 households and analysed for quartz content by Fourier transformed infrared spectroscopy (FT-IR). Additionally, air samples from 12 further households, were analysed by scanning electron microscopy (SEM) to evaluate particle structure and silica content. The majority (89%) of household air samples had undetectable quartz levels (quartz in smoky coal went on to form part of the ash. These findings indicate that the quartz within smoky coal does not become adequately airborne during the combustion process to cause significant lung cancer risk, instead going on to form part of the ash. The identification of fibre-like particles in air samples is an interesting finding, although the clinical relevance of this finding remains unclear. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. Microscopy and Cathodoluminescence Spectroscopy Characterization of Quartz Exhibiting Different Alkali-Silica Reaction Potential.

    Science.gov (United States)

    Kuchařová, Aneta; Götze, Jens; Šachlová, Šárka; Pertold, Zdeněk; Přikryl, Richard

    2016-02-01

    Different quartz types from several localities in the Czech Republic and Sweden were examined by polarizing microscopy combined with cathodoluminescence (CL) microscopy, spectroscopy, and petrographic image analysis, and tested by use of an accelerated mortar bar test (following ASTM C1260). The highest alkali-silica reaction potential was indicated by very fine-grained chert, containing significant amounts of fine-grained to cryptocrystalline matrix. The chert exhibited a dark red CL emission band at ~640 nm with a low intensity. Fine-grained orthoquartzites, as well as fine-grained metamorphic vein quartz, separated from phyllite exhibited medium expansion values. The orthoquartzites showed various CL of quartz grains, from blue through violet, red, and brown. Two CL spectral bands at ~450 and ~630 nm, with various intensities, were detected. The quartz from phyllite displayed an inhomogeneous dark red CL with two CL spectral bands of low intensities at ~460 and ~640 nm. The massive coarse-grained pegmatite quartz from pegmatite was assessed to be nonreactive and displayed a typical short-lived blue CL (~480 nm). The higher reactivity of the fine-grained hydrothermal quartz may be connected with high concentrations of defect centers, and probably with amorphized micro-regions in the quartz, respectively; indicated by a yellow CL emission (~570 nm).

  16. Additive surface complexation modeling of uranium(VI) adsorption onto quartz-sand dominated sediments.

    Science.gov (United States)

    Dong, Wenming; Wan, Jiamin

    2014-06-17

    Many aquifers contaminated by U(VI)-containing acidic plumes are composed predominantly of quartz-sand sediments. The F-Area of the Savannah River Site (SRS) in South Carolina (USA) is an example. To predict U(VI) mobility and natural attenuation, we conducted U(VI) adsorption experiments using the F-Area plume sediments and reference quartz, goethite, and kaolinite. The sediments are composed of ∼96% quartz-sand and 3-4% fine fractions of kaolinite and goethite. We developed a new humic acid adsorption method for determining the relative surface area abundances of goethite and kaolinite in the fine fractions. This method is expected to be applicable to many other binary mineral pairs, and allows successful application of the component additivity (CA) approach based surface complexation modeling (SCM) at the SRS F-Area and other similar aquifers. Our experimental results indicate that quartz has stronger U(VI) adsorption ability per unit surface area than goethite and kaolinite at pH ≤ 4.0. Our modeling results indicate that the binary (goethite/kaolinite) CA-SCM under-predicts U(VI) adsorption to the quartz-sand dominated sediments at pH ≤ 4.0. The new ternary (quartz/goethite/kaolinite) CA-SCM provides excellent predictions. The contributions of quartz-sand, kaolinite, and goethite to U(VI) adsorption and the potential influences of dissolved Al, Si, and Fe are also discussed.

  17. Respirable quartz exposure on two medium-sized farms in southern Mozambique.

    Science.gov (United States)

    Franque Mirembo, José C; Swanepoel, Andrew J; Rees, David

    2013-01-01

    Little is known about the potential for overexposure to respirable quartz in farming, in most parts of the world. To measure respirable dust and quartz exposure of tractor operators on two medium-sized dry climate farms. This is a descriptive cross-sectional study of dust exposure of four tractor operators. Farms were selected by convenience sampling. The MDHS 14/3 and FTIR MDHS 101 HSE methods were used to measure dust and to analyze the mass of quartz in dust, respectively. Seventy respirable dust measurements were done. Respirable dust and quartz ranged from 0·01 to 2·88 and 0·001 to 0·30 mg/m(3), respectively. All operators had at least one respirable quartz exposure above 0·1 mg/m(3). Only 17% of respirable quartz concentrations were lower than the ACGIH TLV of 0·025 mg/m(3). The potential for overexposure to respirable quartz was demonstrated. There was a great deal of exposure variability on these farms which has implications for sampling strategies for dust in farming.

  18. Arsenic removal from water using natural iron mineral-quartz sand columns.

    Science.gov (United States)

    Guo, Huaming; Stüben, Doris; Berner, Zolt

    2007-05-15

    The study has investigated the feasibility of using siderite-coated quartz sand and/or hematite-coated quartz sand columns for removing As from water. Arsenic-spiked tap water and synthetic As solution with As concentrations from 200 to 500 mug/L were used for the experiments. Since three coating methods employed to prepare siderite-coated quartz sand and hematite-coated quartz sand had no significant impact on As adsorption in batch tests, the column fillings were produced by means of the simplest one involving mechanically mixing the Fe mineral with quartz sand. Fixed bed tests show that the combination of siderite-coated quartz sand and hematite-coated quartz sand greatly promoted the column performance in removing As and the presence of As(III) in the influent improved the removal efficiency of the column. The relatively low capacity in treating As-spiked tap water arose from the suppression of FeCO(3) dissolution in the presence of high HCO(3)(-) concentration (333 mg/L), which consequently limited the formation of fresh Fe(III) oxides. However, the H(2)O(2)-conditioning greatly increased As adsorption capacity of the column for remediating As-spiked tap water. The Toxicity Characteristic Leaching Procedure (TCLP) test shows that the spent adsorbents were not hazardous and could be safely disposed of to landfill.

  19. Thermoluminescence response of natural white quartz collected from Gelephu, Bhutan

    Science.gov (United States)

    Kalita, J. M.; Wary, G.

    2016-09-01

    TL properties of natural quartz mineral collected from Gelephu, (Bhutan) were studied. With the help of various characterization techniques the quality of the sample was tested. The thermoluminescence (TL) analysis was carried out under X-ray irradiation. The un-irradiated sample showed no TL signal; however, after X-ray irradiation, a composite glow curve was observed. The kinetic analysis of the glow curve was carried out and it was observed that there was five trapping sites at depths ∼0.68, 0.90, 0.97, 1.06 and 1.10 eV responsible for five closely spaced glow peaks at ∼341, 362, 383, 397 and 426 K respectively. The dosimetric features of the mineral were studied. The response when studied from the whole glow curve was non-linear. However, the dose response studied from the 426 K peak was found to be linear from 10 mGy to 10 Gy. The fading of the TL signal of this 426 K peak was ∼12% within 5 days after irradiation and onward it was ∼4% up to 30 days. The reproducibility of the results was also good.

  20. Acoustic Tests of Lorentz Symmetry Using Quartz Oscillators

    Directory of Open Access Journals (Sweden)

    Anthony Lo

    2016-02-01

    Full Text Available We propose and demonstrate a test of Lorentz symmetry based on new, compact, and reliable quartz oscillator technology. Violations of Lorentz invariance in the matter and photon sector of the standard model extension generate anisotropies in particles’ inertial masses and the elastic constants of solids, giving rise to measurable anisotropies in the resonance frequencies of acoustic modes in solids. A first realization of such a “phonon-sector” test of Lorentz symmetry using room-temperature stress-compensated-cut crystals yields 120 h of data at a frequency resolution of 2.4×10^{−15} and a limit of c[over ˜]_{Q}^{n}=(−1.8±2.2×10^{−14}  GeV on the most weakly constrained neutron-sector c coefficient of the standard model extension. Future experiments with cryogenic oscillators promise significant improvements in accuracy, opening up the potential for improved limits on Lorentz violation in the neutron, proton, electron, and photon sector.

  1. Thermodynamic properties of methane hydrate in quartz powder.

    Science.gov (United States)

    Voronov, Vitaly P; Gorodetskii, Evgeny E; Safonov, Sergey S

    2007-10-04

    Using the experimental method of precision adiabatic calorimetry, the thermodynamic (equilibrium) properties of methane hydrate in quartz sand with a grain size of 90-100 microm have been studied in the temperature range of 260-290 K and at pressures up to 10 MPa. The equilibrium curves for the water-methane hydrate-gas and ice-methane hydrate-gas transitions, hydration number, latent heat of hydrate decomposition along the equilibrium three-phase curves, and the specific heat capacity of the hydrate have been obtained. It has been experimentally shown that the equilibrium three-phase curves of the methane hydrate in porous media are shifted to the lower temperature and high pressure with respect to the equilibrium curves of the bulk hydrate. In these experiments, we have found that the specific heat capacity of the hydrate, within the accuracy of our measurements, coincides with the heat capacity of ice. The latent heat of the hydrate dissociation for the ice-hydrate-gas transition is equal to 143 +/- 10 J/g, whereas, for the transition from hydrate to water and gas, the latent heat is 415 +/- 15 J/g. The hydration number has been evaluated in the different hydrate conditions and has been found to be equal to n = 6.16 +/- 0.06. In addition, the influence of the water saturation of the porous media and its distribution over the porous space on the measured parameters has been experimentally studied.

  2. Dedicated finite elements for electrode thin films on quartz resonators.

    Science.gov (United States)

    Srivastava, Sonal A; Yong, Yook-Kong; Tanaka, Masako; Imai, Tsutomu

    2008-08-01

    The accuracy of the finite element analysis for thickness shear quartz resonators is a function of the mesh resolution; the finer the mesh resolution, the more accurate the finite element solution. A certain minimum number of elements are required in each direction for the solution to converge. This places a high demand on memory for computation, and often the available memory is insufficient. Typically the thickness of the electrode films is very small compared with the thickness of the resonator itself; as a result, electrode elements have very poor aspect ratios, and this is detrimental to the accuracy of the result. In this paper, we propose special methods to model the electrodes at the crystal interface of an AT cut crystal. This reduces the overall problem size and eliminates electrode elements having poor aspect ratios. First, experimental data are presented to demonstrate the effects of electrode film boundary conditions on the frequency-temperature curves of an AT cut plate. Finite element analysis is performed on a mesh representing the resonator, and the results are compared for testing the accuracy of the analysis itself and thus validating the results of analysis. Approximations such as lumping and Guyan reduction are then used to model the electrode thin films at the electrode interface and their results are studied. In addition, a new approximation called merging is proposed to model electrodes at the electrode interface.

  3. Quantitative study of protein-protein interactions by quartz nanopipettes.

    Science.gov (United States)

    Tiwari, Purushottam Babu; Astudillo, Luisana; Miksovska, Jaroslava; Wang, Xuewen; Li, Wenzhi; Darici, Yesim; He, Jin

    2014-09-07

    In this report, protein-modified quartz nanopipettes were used to quantitatively study protein-protein interactions in attoliter sensing volumes. As shown by numerical simulations, the ionic current through the conical-shaped nanopipette is very sensitive to the surface charge variation near the pore mouth. With the appropriate modification of negatively charged human neuroglobin (hNgb) onto the inner surface of a nanopipette, we were able to detect concentration-dependent current change when the hNgb-modified nanopipette tip was exposed to positively charged cytochrome c (Cyt c) with a series of concentrations in the bath solution. Such current change is due to the adsorption of Cyt c to the inner surface of the nanopipette through specific interactions with hNgb. In contrast, a smaller current change with weak concentration dependence was observed when Cyt c was replaced with lysozyme, which does not specifically bind to hNgb. The equilibrium dissociation constant (KD) for the Cyt c-hNgb complex formation was derived and the value matched very well with the result from surface plasmon resonance measurement. This is the first quantitative study of protein-protein interactions by a conical-shaped nanopore based on charge sensing. Our results demonstrate that nanopipettes can potentially be used as a label-free analytical tool to quantitatively characterize protein-protein interactions.

  4. Quartz Microbalance Sensor for the Detection of Acrylamide

    Directory of Open Access Journals (Sweden)

    Christoph A. Schalley

    2004-10-01

    Full Text Available Abstract: Several macrocycles of the Hunter-Vögtle type have been identified as superior host compounds for the detection of small amounts of acrylamide. When coated onto the surface of a quartz microbalance, these compounds serve as highly sensitive and selective sensor-active layers for their use in electronic noses. In this study, differently substituted macrocycles were investigated including an open-chain analogue and a catenane. Their structure and functional groups are correlated with their observed affinities to acrylamide and related acids and amides. The much smaller response of the open-chain compound and the almost absent sensor response of the catenane suggest that binding occurs within the cavity of the macrocycle. Theoretical calculations agree well with the experimental data even though they do not yet take into account the arrangement of the macrocycles in the sensor-active layer. The lower detection limit of acrylamide is 10 parts per billion (ppb, which is impressively low for this type of sensor. Other related compounds such as acrylic acid, propionamide, or propionic acid show no or significantly lower affinities to the macrocycles in these concentration ranges.

  5. Progresses on the theory and application of quartz crystal microbalance

    Science.gov (United States)

    Qiao, Xiaoxi; Zhang, Xiangjun; Tian, Yu; Meng, Yonggang

    2016-09-01

    Quartz crystal microbalance (QCM) is a nondestructive technique in investigating the physical properties of solid-liquid interfacial layer in situ. It has the capability of quantifying the extremely tiny force change occurring on the interface by measuring the frequency shift Δ f and the energy dissipation change Δ D (or the half-bandwidth variation Δ Γ ). The quantitative analysis of QCM results greatly depends on the theoretical models, whose development could generally expand the comprehension of the properties at the interfaces and the application of QCM. In the paper, the progresses on the theory and applications of QCM are reviewed. The commonly used theoretical models for a single layer in the gas/liquid phase are essential for QCM in the fields of biosensor application, surface chemistry study, and interfacial rheology, such as the adsorption of proteins, the polymer and surfactants, and the viscoelastic properties of the interfacial liquid layer. The advanced models, incorporating the effects of boundary slip, surface roughness, microstructure, and micro/nanoscale confinement, are helpful for a better understanding and description of how these factors influence the various interfacial processes occurring on the solid-liquid interface, e.g., interfacial rheology and adsorption. The establishments of nanocell and the corresponding theoretical model make QCM a potential technique in studying the dynamic behavior of micro/nanoscale flow coupling with various surface effects by connecting a micro/nanofluidic channel to the nanocell.

  6. Molecular Imprinting Technology in Quartz Crystal Microbalance (QCM Sensors

    Directory of Open Access Journals (Sweden)

    Sibel Emir Diltemiz

    2017-02-01

    Full Text Available Molecularly imprinted polymers (MIPs as artificial antibodies have received considerable scientific attention in the past years in the field of (biosensors since they have unique features that distinguish them from natural antibodies such as robustness, multiple binding sites, low cost, facile preparation and high stability under extreme operation conditions (higher pH and temperature values, etc.. On the other hand, the Quartz Crystal Microbalance (QCM is an analytical tool based on the measurement of small mass changes on the sensor surface. QCM sensors are practical and convenient monitoring tools because of their specificity, sensitivity, high accuracy, stability and reproducibility. QCM devices are highly suitable for converting the recognition process achieved using MIP-based memories into a sensor signal. Therefore, the combination of a QCM and MIPs as synthetic receptors enhances the sensitivity through MIP process-based multiplexed binding sites using size, 3D-shape and chemical function having molecular memories of the prepared sensor system toward the target compound to be detected. This review aims to highlight and summarize the recent progress and studies in the field of (biosensor systems based on QCMs combined with molecular imprinting technology.

  7. TL estimation of paleodose of dune-sand quartz

    Science.gov (United States)

    Franklin, A. D.; Hornyak, W. F.; Dickerson, W.

    Archeological quartz exhibits two major TL peaks. At a ramp rate of 1°C/sec one (RBP) occurs at ˜380 nm and ˜290°C and bleaches very rapidly when exposed to light across the visible spectrum. The other (SBP) occurs at ˜480 nm, at ˜330°C and bleaches, when exposed to UV light, much more slowly. The 290°C peak can be isolated using a UV filter (e.g. Schott UG11) and a subtraction technique, and can be used to estimate the paleodose with the regeneration method. The 330°C peak can be isolated with a green (e.g. Chance OGr1) or yellow (e.g. Schott GG-475) filter and might be used to estimate the paleodose with the R-F technique. Measurements of first and second (after optical bleaching) glow growth curves suggest the SBP may not conform to the assumptions of the R-F method, and use of the RBP may require at least approximate reproduction of the solar exposure at the time of burial.

  8. Quartz Crystal Microbalance Electronic Interfacing Systems: A Review

    Directory of Open Access Journals (Sweden)

    Abdulrahman Alassi

    2017-12-01

    Full Text Available Quartz Crystal Microbalance (QCM sensors are actively being implemented in various fields due to their compatibility with different operating conditions in gaseous/liquid mediums for a wide range of measurements. This trend has been matched by the parallel advancement in tailored electronic interfacing systems for QCM sensors. That is, selecting the appropriate electronic circuit is vital for accurate sensor measurements. Many techniques were developed over time to cover the expanding measurement requirements (e.g., accommodating highly-damping environments. This paper presents a comprehensive review of the various existing QCM electronic interfacing systems. Namely, impedance-based analysis, oscillators (conventional and lock-in based techniques, exponential decay methods and the emerging phase-mass based characterization. The aforementioned methods are discussed in detail and qualitatively compared in terms of their performance for various applications. In addition, some theoretical improvements and recommendations are introduced for adequate systems implementation. Finally, specific design considerations of high-temperature microbalance systems (e.g., GaPO4 crystals (GCM and Langasite crystals (LCM are introduced, while assessing their overall system performance, stability and quality compared to conventional low-temperature applications.

  9. Quartz crystal microbalance sensor using ionophore for ammonium ion detection.

    Science.gov (United States)

    Kosaki, Yasuhiro; Takano, Kosuke; Citterio, Daniel; Suzuki, Koji; Shiratori, Seimei

    2012-01-01

    Ionophore-based quartz crystal microbalance (QCM) ammonium ion sensors with a detection limit for ammonium ion concentrations as low as 2.2 microM were fabricated. Ionophores are molecules, which selectively bind a particular ion. In this study, one of the known ionophores for ammonium, nonactin, was used to detect ammonium ions for environmental in-situ monitoring of aquarium water for the first time. To fabricate the sensing films, poly(vinyl chloride) was used as the matrix for the immobilization of nonactin. Furthermore, the anionic additive, tetrakis (4-chlorophenyl) borate potassium salt and the plasticizer dioctyl sebacate were used to enhance the sensor properties. The sensor allowed detecting ammonium ions not only in static solution, but also in flowing water. The sensor showed a nearly linear response with the increase of the ammonium ion concentration. The QCM resonance frequency increased with the increase of ammonium ion concentration, suggesting a decreasing weight of the sensing film. The detailed response mechanism could not be verified yet. However, from the results obtained when using a different plasticizer, nitrophenyl octyl ether, it is considered that this effect is caused by the release of water molecules. Consequently, the newly fabricated sensor detects ammonium ions by discharge of water. It shows high selectivity over potassium and sodium ions. We conclude that the newly fabricated sensor can be applied for detecting ammonium ions in aquarium water, since it allows measuring low ammonium ion concentrations. This sensor will be usable for water quality monitoring and controlling.

  10. Non-additive stabilization by halogenated amino acids reveals protein plasticity on a sub-angstrom scale.

    Science.gov (United States)

    Hosseini, Azade S; Pace, Christopher J; Esposito, Adam A; Gao, Jianmin

    2017-10-01

    It has been a long-standing goal to understand the structure-stability relationship of proteins, as optimal stability is essential for protein function and highly desirable for protein therapeutics. Halogenation has emerged as a minimally invasive strategy to probe the physical characteristics of proteins in solution, as well as enhance the structural stabilities of proteins for therapeutic applications. Although advances in synthetic chemistry and genetic code expansion have allowed for the rapid synthesis of proteins with diverse chemical sequences, much remains to be learned regarding the impact of these mutations on their structural integrity. In this contribution, we present a systematic study of three well-folded model protein systems, in which their structural stabilities are assessed in response to various hydrogen-to-halogen atom mutations. Halogenation allows for the perturbation of proteins on a sub-angstrom scale, offering unprecedented precision of protein engineering. The thermodynamic results from these model systems reveal that in certain cases, proteins can display modest steric tolerance to halogenation, yielding non-additive consequences to protein stability. The observed sub-angstrom sensitivity of protein stability highlights the delicate arrangement of a folded protein core structure. The stability data of various halogenated proteins presented herein should also provide guidelines for using halogenation as a strategy to improve the stability of protein therapeutics. © 2017 The Protein Society.

  11. Brønsted Acidic Ionic Liquid Accelerated Halogenation of Organic Compounds with N-Halosuccinimides (NXS

    Directory of Open Access Journals (Sweden)

    Stojan Stavber

    2012-12-01

    Full Text Available The Brønsted-acidic ionic liquid 1-methyl-3-(4-sulfobutylimidazolium triflate [BMIM(SO3H][OTf] was demonstrated to act efficiently as solvent and catalyst for the halogenation of activated organic compounds with N-halosuccinimides (NXS under mild conditions with short reaction times. Methyl aryl ketones were converted into α-halo and α,α-dihaloketones, depending on the quantity of NXS used. Ketones with activated aromatic rings were selectively halogenated, however in some cases mixtures of α-halogenated ketone and ring-halogenated ketones were obtained. Activated aromatics were regioselectively ring halogenated to give mono- and dihalo-substituted products. The [BMIM(SO3H][OTf] ionic liquid (IL-A was successfully reused eight times in a representative monohalogenation reaction with no noticeable decrease in efficiency. An effective halogenation scale-up in this IL is also presented. The reactivity trend and the observed chemo- and regioselectiivities point to an ET process in these IL-promoted halofunctionalization reactions.

  12. Limits to depletion of blue-green light stimulated luminescence in feldspars: Implications for quartz dating

    DEFF Research Database (Denmark)

    Jain, M.; Singhvi, A.K.

    2001-01-01

    -red stimulation at elevated temperature (220 degreesC) (ETIR) permits depletions of charges in Type (A) and Type (B) to the extent that the feldspar BGSL can be reduced by up to 97% in 5 min. These results offer prospects for (1) improved precision in paleodose estimates based on quartz; (2) BGSL dating of quartz...... in a polyminerallic fine grain samples; (3) age estimates based on both quartz and feldspars from the same aliquots, and (4) dating based on feldspar micro-inclusions. (C) 2001 Elsevier Science Ltd. All rights reserved....

  13. Testing the application of quartz and feldspar luminescence dating to MIS 5 Japanese marine deposits

    DEFF Research Database (Denmark)

    Thiel, Christine; Tsukamoto, Sumiko; Tokuyasu, Kayoko

    2015-01-01

    The applicability of both quartz and feldspar luminescence dating was tested on twenty-five samples from a marine succession now forming a coastal cliff at Oga Peninsula, Honshu Island, Japan. The quartz optically stimulated luminescence (OSL) signal shows thermal instability and linear modulated...... (LM)-OSL analysis revealed the dominance of a slow component. When compared with independent age control provided by two marker tephras, the quartz OSL ages grossly underestimate the depositional age. In contrast, potassium (K)-rich feldspar is a suitable dosimeter when measured using post-IR infrared...

  14. Modelling the thermal quenching mechanism in quartz based on time-resolved optically stimulated luminescence

    DEFF Research Database (Denmark)

    Pagonis, V.; Ankjærgaard, Christina; Murray, Andrew

    2010-01-01

    This paper presents a new numerical model for thermal quenching in quartz, based on the previously suggested Mott–Seitz mechanism. In the model electrons from a dosimetric trap are raised by optical or thermal stimulation into the conduction band, followed by an electronic transition from...... simulations are carried out of time-resolved optically stimulated luminescence (TR-OSL) experiments, in which the temperature dependence of luminescence lifetimes in quartz is studied as a function of the stimulation temperature. Good quantitative agreement is found between the simulation results and new...... experimental data obtained using a single-aliquot procedure on a sedimentary quartz sample....

  15. Using optically stimulated electrons from quartz for the estimation of natural doses

    DEFF Research Database (Denmark)

    Ankjærgaard, Christina; Murray, A.S.; Denby, Phil M.

    2009-01-01

    quartz samples are studied to examine the possible use of OSE as a chronometer. First the relative variability in OSE and OSL growth curve shapes and the effect of preheat on these are presented, and from these curves, conclusions are drawn concerning the charge movement in natural quartz. Secondly...... dose using the single-aliquot regenerative-dose (SAR) procedure. Finally, a comparative study of the equivalent doses estimated using both OSE and OSL from 10 quartz samples are presented, and it is shown that OSE has a significant potential in retrospective dosimetry....

  16. Use of the LM-OSL technique for the detection of partial bleaching in quartz

    DEFF Research Database (Denmark)

    Larsen, N.A.; Bulur, E.; Bøtter-Jensen, L.

    2000-01-01

    We present a study of the sensitivity to light (ease-of-bleaching) of the trapped charge in sedimentary quartz grains using an optically stimulated luminescence (OSL) technique in which the intensity of the stimulation light is linearly increased during the measurement period. The technique...... is known as linear modulation OSL (LM-OSL). In controlled laboratory conditions, this technique has been employed to study the ease-of-bleaching of the trapped charge in quartz by comparing the OSL curves of quartz aliquots which have been either: (1) fully bleached, followed by a laboratory dose of beta...

  17. Luminescence property of volcanic quartz and the use of red isothermal TL for dating tephras

    DEFF Research Database (Denmark)

    Tsukamoto, S.; Murray, A.S.; Huot, S.

    2007-01-01

    An optically stimulated luminescence (OSL) age obtained from a Japanese tephra using quartz phenocrysts severely underestimated the known age. The characteristics of the OSL signals were investigated in order to understand the cause of the underestimation; the main OSL component of volcanic quartz...... gave an age consistent with the independent age. Furthermore, red isothermal TL (RITL) at 380 degrees C allowed the RTL signal to be separated from to the thermal background, and RITL ages of three volcanic quartz samples show good agreement with independent ages. (C) 2006 Elsevier Ltd. All rights...

  18. Halogenation of glycopeptide antibiotics occurs at the amino acid level during non-ribosomal peptide synthesis.

    Science.gov (United States)

    Kittilä, Tiia; Kittel, Claudia; Tailhades, Julien; Butz, Diane; Schoppet, Melanie; Büttner, Anita; Goode, Rob J A; Schittenhelm, Ralf B; van Pee, Karl-Heinz; Süssmuth, Roderich D; Wohlleben, Wolfgang; Cryle, Max J; Stegmann, Evi

    2017-09-01

    Halogenation plays a significant role in the activity of the glycopeptide antibiotics (GPAs), although up until now the timing and therefore exact substrate involved was unclear. Here, we present results combined from in vivo and in vitro studies that reveal the substrates for the halogenase enzymes from GPA biosynthesis as amino acid residues bound to peptidyl carrier protein (PCP)-domains from the non-ribosomal peptide synthetase machinery: no activity was detected upon either free amino acids or PCP-bound peptides. Furthermore, we show that the selectivity of GPA halogenase enzymes depends upon both the structure of the bound amino acid and the PCP domain, rather than being driven solely via the PCP domain. These studies provide the first detailed understanding of how halogenation is performed during GPA biosynthesis and highlight the importance and versatility of trans-acting enzymes that operate during peptide assembly by non-ribosomal peptide synthetases.

  19. Harnessing the Potential of Halogenated Natural Product Biosynthesis by Mangrove-Derived Actinomycetes

    Directory of Open Access Journals (Sweden)

    Xiang Xiao

    2013-10-01

    Full Text Available Mangrove-derived actinomycetes are promising sources of bioactive natural products. In this study, using homologous screening of the biosynthetic genes and anti-microorganism/tumor assaying, 163 strains of actinomycetes isolated from mangrove sediments were investigated for their potential to produce halogenated metabolites. The FADH2-dependent halogenase genes, identified in PCR-screening, were clustered in distinct clades in the phylogenetic analysis. The coexistence of either polyketide synthase (PKS or nonribosomal peptide synthetase (NRPS as the backbone synthetases in the strains harboring the halogenase indicated that these strains had the potential to produce structurally diversified antibiotics. As a validation, a new enduracidin producer, Streptomyces atrovirens MGR140, was identified and confirmed by gene disruption and HPLC analysis. Moreover, a putative ansamycin biosynthesis gene cluster was detected in Streptomyces albogriseolus MGR072. Our results highlight that combined genome mining is an efficient technique to tap promising sources of halogenated natural products synthesized by mangrove-derived actinomycetes.

  20. Band-gap engineering of halogenated silicon nanowires through molecular doping.

    Science.gov (United States)

    de Santiago, Francisco; Trejo, Alejandro; Miranda, Alvaro; Carvajal, Eliel; Pérez, Luis Antonio; Cruz-Irisson, Miguel

    2017-10-16

    In this work, we address the effects of molecular doping on the electronic properties of fluorinated and chlorinated silicon nanowires (SiNWs), in comparison with those corresponding to hydrogen-passivated SiNWs. Adsorption of n-type dopant molecules on hydrogenated and halogenated SiNWs and their chemisorption energies, formation energies, and electronic band gap are studied by using density functional theory calculations. The results show that there are considerable charge transfers and strong covalent interactions between the dopant molecules and the SiNWs. Moreover, the results show that the energy band gap of SiNWs changes due to chemical surface doping and it can be further tuned by surface passivation. We conclude that a molecular based ex-situ doping, where molecules are adsorbed on the surface of the SiNW, can be an alternative path to conventional doping. Graphical abstract Molecular doping of halogenated silicon nanowires.

  1. Detection of the halogenating activity of heme peroxidases in leukocytes by aminophenyl fluorescein.

    Science.gov (United States)

    Flemmig, J; Remmler, J; Zschaler, J; Arnhold, J

    2015-06-01

    The formation of hypochlorous and hypobromous acids by heme peroxidases is a key property of certain immune cells. These products are not only involved in defense against pathogenic microorganisms and in regulation of inflammatory processes, but contribute also to tissue damage in certain pathologies. After a short introduction about experimental approaches for the assessment of the halogenating activity in vitro and in cell suspensions, we are focusing on novel applications of fluorescent dye systems to detect the formation of hypochlorous acid (HOCl) in leukocytes. Special attention is directed to properties and applications of the non-fluorescent dye aminophenyl fluorescein that is converted by HOCl, HOBr, and other strong oxidants to fluorescein. This dye allows the detection of the halogenating activity in samples containing free myeloperoxidase and eosinophil peroxidase as well as in intact granulocytes using fluorescence spectroscopy and flow cytometry, respectively.

  2. Halogenated furanones inhibit quorum sensing through accelerated LuxR turnover

    DEFF Research Database (Denmark)

    Manefield, Michael; Rasmussen, Thomas Bovbjerg; Henzter, Morten

    2002-01-01

    N-acyl-L-homoserine lactones (AHLs) are co-regulatory ligands required for control of the expression of genes encoding virulence traits in many Gram-negative bacterial species. Recent studies have indicated that AHLs modulate the cellular concentrations of LuxR-type regulatory proteins by binding...... fischeri overproduced in Escherichia coli. Whilst a stable interaction between the algal metabolite and the bacterial protein was not found, it was noted by Western analysis that the half-life of the protein is reduced up to 100-fold in the presence of halogenated furanones. This suggests that halogenated...... furanones modulate LuxR activity but act to destabilize, rather than protect, the AHL-dependent transcriptional activator. The furanone-dependent reduction in the cellular concentration of the LuxR protein was associated with a reduction in expression of a plasmid encoded P(luxI)-gfp(ASV) fusion suggesting...

  3. Room Temperature Halogenation of Polyimide Film Surface using Chlorine Trifluoride Gas

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    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.

  5. Comparison of halogen light and vibroacoustic stimulation on nonreactive fetal heart rate pattern.

    Science.gov (United States)

    Rahimikian, Fatemeh; Rahiminia, Tahereh; Modarres, Maryam; Mehran, Abbas

    2013-03-01

    One of the first-line assessment tools for fetal surveillance is nonstress test (NST), although it is limited by a high rate of false-nonreactive results. This study was performed to investigate if external stimulation from vibroacoustic and halogen light could help in provoking fetal responsiveness and altering NST results. This is a clinical trial. Sampling was done from April to July 2010. One hundred pregnant women with nonreactive NST for 20 min were allocated in two groups: Vibroacoustic stimulated NST (VNST, n = 50) who received vibration from a standard fetal vibratory stimulator and halogen light stimulated NST (LNST, n = 50) who received a halogen light source for 3 and 10 sec, respectively. Results were compared together and then compared to biophysical profile (BPP) scores as a backup test. We used Mann-Whitney U test, Chi-square test, and Fisher's exact test to compare the variables in the two groups through SPSS version 14. P vibroacoustic stimulation group changed to reactive patterns. Time to onset of the first acceleration (VNST: 2.17 min; LNST: 2.27 min) and the test duration (VNST: 4.91 min; LNST: 5.26 min) were the same in the two groups. In VNST 89.5% and in LNST 87.5% of nonreactivity followed by score 8 in BPP. There was no significant relation between stimulus NSTs and BPPs. Vibroacoustic and light stimulation offer benefits by decreasing the incidence of nonreactive results and reducing the test time. Both halogen light stimulation and vibroacoustic stimulation are safe and efficient in fetal well-being assessment services.

  6. Synthesis of 4-Halogenated 3-Fluoro-6-methoxyquinolines: Key Building Blocks for the Synthesis of Antibiotics

    DEFF Research Database (Denmark)

    Flagstad, Thomas; Petersen, Mette Terp; Hinnerfeldt, Daniel Michael

    2014-01-01

    A practical and scalable 4-step route is presented for the synthesis of 4-bromo-3-fluoro-6-methoxyoquinoline and 3-fluoro-4-iodo-6-methoxyoquinoline from readily available 2,4-dichloro-3-fluoroquinoline with an overall yield of 81-85%. Halogenated quinoline building blocks have found much use in ...... in antimicrobial drug discovery, and the method reported here would be useful for the synthesis of these compounds. © Georg Thieme Verlag....

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

    Science.gov (United States)

    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.

  8. Biodehalogenation: The kinetics and rates of the microbial cleavage of carbon-halogen bonds

    Energy Technology Data Exchange (ETDEWEB)

    Castro, C.E. (Univ. of California, Riverside, CA (United States). Nematology Dept.)

    1993-09-01

    Specific rate constants associated with defined molecular paths of carbon-halogen bond cleavage from a variety of alkyl halide substrates by six soil organisms are presented. Five aerobes (three pseudomonads, one methylotroph, and one flavobacterium) and one anaerobe (a methanogen) are compared. The rate constants were obtained with resting cells in phosphate buffer at pH 7.4 in the absence of nutrients or other substances. The observed general rate law is d(X[sup [minus

  9. Effect of halogenated benzenes on acetanilide esterase, acetanilide hydroxylase and procaine esterase in rats.

    Science.gov (United States)

    Carlson, G P; Dziezak, J D; Johnson, K M

    1979-07-01

    1,2,4-Trichlorobenzene, 1,3,5-trichlorobenzene, hexachlorobenzene, 1,2,4-tribromobenzene, 1,3,5-tribromobenzene and hexabromobenzene were compared for their abilities to induce acetanilide esterase, acentailide hydroxylase and procaine esterase. Except for hexabromobenzene all induced acetanilide esterase whereas the hydroxylation of acetanilide was seen only with the fully halogenated benzenes and with 1,3,5-tribromobenzene. Hepatic procaine esterase activity was increased by the three chlorinated benzenes and 1,2,4-tribromobenzene.

  10. Novel halogenated derivates of JWH-018: Behavioral and binding studies in mice.

    Science.gov (United States)

    Vigolo, A; Ossato, A; Trapella, C; Vincenzi, F; Rimondo, C; Seri, C; Varani, K; Serpelloni, G; Marti, M

    2015-08-01

    JWH-018 is a synthetic CB1 and CB2 agonist illegally marketed as products named "Spice" or "herbal blend" for its psychoactive effects which are much higher than those produced by cannabis. In the last year, the European Monitoring Centre for Drugs and Drug Addiction reported to the Italian National Early Warning System the seizure of plant material containing new halogenated derivatives of JWH-018 (JWH-018 Cl and JWH-018 Br). The present study aimed to investigate the in vitro and in vivo activity of these two new synthetic cannabinoids in mice. In vitro competition binding experiments performed on mouse and human CB1 receptors revealed a high affinity and potency of the halogenated compounds. Synthetic cannabinoids (0.01-6 mg/kg i.p.) impaired motor activity and induced catalepsy in mice and their effects were more severe with respect to those evoked by Δ(9)-THC. Moreover, they increased the mechanical and thermal pain threshold and induced a marked hypothermia. It is interesting to note that whereas high doses of JWH-018 cause seizures, myoclonia and hyperreflexia, the halogenated compounds, in particular JWH-018Br, were less effective. Behavioral and neurological changes were prevented by the selective CB1 receptor antagonist AM 251. These data demonstrate for the first time that JWH-018 Cl and JWH-018 Br act similarly to JWH-018 while inducing less convulsive episodes and myoclonias. These data support the hypothesis that the halogenated compounds may have been introduced onto market to produce similar intoxicating effects as JWH-018 while causing less side effects. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. A halogen-free synthesis of gold nanoparticles using gold(III) oxide

    OpenAIRE

    Sashuk, Volodymyr; Rogaczewski, Konrad

    2016-01-01

    Gold nanoparticles are one of the most used nanomaterials. They are usually synthesized by the reduction of gold(III) chloride. However, the presence of halide ions in the reaction mixture is not always welcome. In some cases, these ions have detrimental influence on the morphology and structure of resulting nanoparticles. Here, we present a simple and halogen-free procedure to prepare gold nanoparticles by reduction of gold(III) oxide in neat oleylamine. The method provides the particles wit...

  12. Enthalpy-entropy compensation in biomolecular halogen bonds measured in DNA junctions.

    Science.gov (United States)

    Carter, Megan; Voth, Andrea Regier; Scholfield, Matthew R; Rummel, Brittany; Sowers, Lawrence C; Ho, P Shing

    2013-07-23

    Interest in noncovalent interactions involving halogens, particularly halogen bonds (X-bonds), has grown dramatically in the past decade, propelled by the use of X-bonding in molecular engineering and drug design. However, it is clear that a complete analysis of the structure-energy relationship must be established in biological systems to fully exploit X-bonds for biomolecular engineering. We present here the first comprehensive experimental study to correlate geometries with their stabilizing potentials for fluorine (F), chlorine (Cl), bromine (Br), or iodine (I) X-bonds in a biological context. For these studies, we determine the single-crystal structures of DNA Holliday junctions containing halogenated uracil bases that compete X-bonds against classic hydrogen bonds (H-bonds), estimate the enthalpic energies of the competing interactions in the crystal system through crystallographic titrations, and compare the enthalpic and entropic energies of bromine and iodine X-bonds in solution by differential scanning calorimetry. The culmination of these studies demonstrates that enthalpic stabilization of X-bonds increases with increasing polarizability from F to Cl to Br to I, which is consistent with the σ-hole theory of X-bonding. Furthermore, an increase in the X-bonding potential is seen to direct the interaction toward a more ideal geometry. However, the entropic contributions to the total free energies must also be considered to determine how each halogen potentially contributes to the overall stability of the interaction. We find that bromine has the optimal balance between enthalpic and entropic energy components, resulting in the lowest free energy for X-bonding in this DNA system. The X-bond formed by iodine is more enthalpically stable, but this comes with an entropic cost, which we attribute to crowding effects. Thus, the overall free energy of an X-bonding interaction balances the stabilizing electrostatic effects of the σ-hole against the competing

  13. Cooperativity of halogen, chalcogen, and pnictogen bonds in infinite molecular chains by electronic structure theory.

    Science.gov (United States)

    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.

  14. Control of a two-dimensional molecular structure by cooperative halogen and hydrogen bonds

    OpenAIRE

    Yasuda, Satoshi; Furuya, Atom; Murakoshi, Kei

    2014-01-01

    The cooperative effect of hydrogen and halogen bonds on the two-dimensional (2D) molecular arrangement on highly oriented pyrolytic graphite (HOPG) was studied by scanning tunneling microscopy. The terephthalic acid (TPA) molecule, which has two carboxyl groups attached at the para positions of a benzene ring, formed a one-dimensional (1D) linear non-covalent network structure on HOPG by hydrogen bonds between the carboxyl groups of neighboring molecules. However, unlike the TPA molecule, Br ...

  15. First structurally characterized mixed-halogen nickel(III) NCN-pincer complex.

    Science.gov (United States)

    Kozhanov, Konstantin A; Bubnov, Michael P; Cherkasov, Vladimir K; Fukin, Georgy K; Vavilina, Nina N; Efremova, Larisa Yu; Abakumov, Gleb A

    2009-03-01

    A square-pyramidal mixed-halogen nickel(III) NCN-pincer complex (PipeNCN)NiClBr (where PipeNCN=2,6-bis(piperidinomethyl)phenyl) was structurally characterized. Bromine occupies apical position; pincer ligand and chlorine atom are in the basal plane. EPR detects that complex in solution exists as a mixture of two structural isomers with bromine or chlorine atoms in the top of pyramid.

  16. C–H bond halogenation catalyzed or mediated by copper: an overview

    Directory of Open Access Journals (Sweden)

    Wenyan Hao

    2015-11-01

    Full Text Available Carbon–halogen (C–X bonds are amongst the most fundamental groups in organic synthesis, they are frequently and widely employed in the synthesis of numerous organic products. The generation of a C–X bond, therefore, constitutes an issue of universal interest. Herein, the research advances on the copper-catalyzed and mediated C–X (X = F, Cl, Br, I bond formation via direct C–H bond transformation is reviewed.

  17. Chlorine and Bromine Isotope Fractionation of Halogenated Organic Pollutants on Gas Chromatography Columns

    OpenAIRE

    Tang, Caiming; Tan, Jianhua; Xiong, Songsong; Liu, Jun; Fan, Yujuan; Peng, Xianzhi

    2017-01-01

    Compound-specific chlorine/bromine isotope analysis (CSIA-Cl/Br) has become a useful approach for degradation pathway investigation and source appointment of halogenated organic pollutants (HOPs). CSIA-Cl/Br is usually conducted by gas chromatography-mass spectrometry (GC-MS), which could be negatively impacted by chlorine and bromine isotope fractionation of HOPs on GC columns. In this study, 31 organochlorines and 4 organobromines were systematically investigated in terms of Cl/Br isotope f...

  18. Gas-liquid partitioning of halogenated volatile organic compounds in aqueous cyclodextrin solutions

    Energy Technology Data Exchange (ETDEWEB)

    Ondo, Daniel; Barankova, Eva [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic); Dohnal, Vladimir, E-mail: dohnalv@vscht.cz [Department of Physical Chemistry, Institute of Chemical Technology, Technicka 5, 166 28 Prague 6 (Czech Republic)

    2011-08-15

    Highlights: > Binding of halogenated VOCs with cyclodextrins examined through g-l partitioning. > Complex stabilities reflect host-guest size matching and hydrophobic interaction. > Presence of halogens in the guest molecule stabilizes the binding. > Thermodynamic origin of the binding varies greatly among the systems studied. > Results obey the guest-CD global enthalpy-entropy compensation relationship. - Abstract: Gas-liquid partitioning coefficients (K{sub GL}) were measured for halogenated volatile organic compounds (VOCs), namely 1-chlorobutane, methoxyflurane, pentafluoropropan-1-ol, heptafluorobutan-1-ol, {alpha},{alpha},{alpha}-trifluorotoluene, and toluene in aqueous solutions of natural {alpha}-, {beta}-, and {gamma}-cyclodextrins (CDs) at temperatures from (273.35 to 326.35) K employing the techniques of headspace gas chromatography and inert gas stripping. The binding constants of the 1:1 inclusion complex formation between the VOCs and CDs were evaluated from the depression of the VOCs volatility as a function of CD concentration. The host-guest size matching and the hydrophobic interaction concept were used to rationalize the observed widely different affinity of the VOC-CD pairs to form the inclusion complex. The enthalpic and entropic component of the standard Gibbs free energy of complex formation as derived from the temperature dependence of the binding constant indicate the thermodynamic origin of the binding to vary greatly among the systems studied, but follow the global enthalpy-entropy compensation relationships reported previously in the literature.

  19. Aqueous secondary formation of brominated, chlorinated, and mixed halogenated pyrene in presence of halide ions.

    Science.gov (United States)

    Sankoda, Kenshi; Toda, Izumi; Sekiguchi, Kazuhiko; Nomiyama, Kei; Shinohara, Ryota

    2017-03-01

    We examined the secondary production of halogenated derivatives of polycyclic aromatic hydrocarbons (PAHs) in surface seawater. Pyrene was selected as the model compound and exposed to UV irradiation in synthetic seawater for various irradiation times. Pyrene underwent rapid photochemical reactions that produced various halogenated derivatives including 1-chloropyrene, 1-bromopyrene, three unidentified dichloropyrenes, and three unidentified bromochloropyrenes. The production of 1-chloropyrene (220-360 nM) was higher than that of 1-bromopyrene (7.3-12 nM), reflecting the high chlorine content of seawater. A pilot field survey was conducted to test the environmental implications of these results, and fresh, brackish, and seawater samples were collected in southwestern Japan. The variation in the concentration ratios between 1-chloropyrene and pyrene implied the presence of a specific source of 1-chloropyrene in coastal water, which can be partly explained by the secondary production observed in our photolysis experiments. In sum, the photochemical reactions of PAHs are a potential secondary source of halogenated PAHs, especially in marine environments heavily contaminated with PAHs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Dansylglycine, a fluorescent probe for specific determination of halogenating activity of myeloperoxidase and eosinophil peroxidase.

    Science.gov (United States)

    Bertozo, Luiza de Carvalho; Zeraik, Maria Luiza; Ximenes, Valdecir Farias

    2017-09-01

    Myeloperoxidase (MPO) and eosinophil peroxidase (EPO) are enzymes present in neutrophil and eosinophil leukocytes, respectively. Here, we present the development of a sensitive and specific assay for determination of the halogenating enzymatic activity of MPO and EPO based on the electrophilic attack of HOCl and HOBr on aromatic ring of dansylglycine (DG). We found that the intrinsic fluorescence of DG was promptly depleted by the action of these acids. In the presence of the enzymes, the fluorescence bleaching was dependent of chloride (Cl(-)) and bromide (Br(-)), which makes the assay able to distinguish the halogenating from the peroxidase activity. A linear correlation was obtained between the hydrogen peroxide (H2O2) concentration and the fluorescent decay. Similarly, the enzyme activity was measured by keeping constant H2O2. The method was applied for studding MPO/EPO specific inhibitors as 5-fluortryptamine (reversible inhibitor) and 4-hydroxybenzhydrazide (irreversible inhibitor). Differently of the taurine chloramine/3,3',5,5'-tetramethylbenzidine assay, which is among the most used technique, the dansylglycine assay was able to differentiate these inhibitors based on their kinetic behavior. In conclusion, this assay can differentiate the peroxidase and halogenating activity of MPO and EPO. Moreover, the method is adequate for real-time measurement of the production of HOCl and HOBr. Copyright © 2017 Elsevier Inc. All rights reserved.

  1. (5-Chloroquinolin-8-yl-2-fluorobenzoate. The Halogen Bond as a Structure Director

    Directory of Open Access Journals (Sweden)

    Rodolfo Moreno-Fuquen

    2017-03-01

    Full Text Available Structures containing 8-hydroxyquinoline scaffold are useful for anticancer drug development. The title ester (5-chloroquinolin-8-yl-2-fluorobenzoate was prepared by the reaction of 2-fluorobenzoyl chloride with 5-chloro-8-hydroxyquinoline. The structure of the title compound was assigned by diverse spectroscopic techniques. Moreover, a crystallographic study was undertaken and its supramolecular characteristics were analyzed. Thus, the central ester fragment C8/O1/C10(O2/C11 is almost planar with a root mean square (r.m.s. deviation of 0.0612 Å and it makes dihedral angles of 76.35(6° and 12.89(11°, with quinoline and phenyl rings respectively. The structure shows C–H...X (X = halogen non-classical hydrogen bonds. It also has a halogen…halogen distance less than the sum of the van der Waals radii (3.2171(15 Å. As a result of interactions with halogen atoms, chains of centrosymmetric dimer that form edge-fused R22(18 rings run parallel to the plane (100.

  2. Evaluation of wear rate of dental composites polymerized by halogen or LED light curing units

    Directory of Open Access Journals (Sweden)

    Alaghehmand H.

    2006-08-01

    Full Text Available Background and Aim: Sufficient polymerization is a critical factor to obtain optimum physical properties and clinical efficacy of resin restorations. The aim of this study was to evaluate wear rates of composite resins polymerized by two different systems Light Emitting Diodes (LED to and Halogen lamps. Materials and Methods: In this laboratory study, 20 specimens of A3 Tetric Ceram composite were placed in brass molds of 2*10*10 mm dimensions and cured for 40 seconds with 1 mm distance from surface. 10 specimens were cured with LED and the other 10 were cured with Halogen unit. A device with the ability to apply force was developed in order to test the wear of composites. After storage in distilled water for 10 days, the specimens were placed in the wear testing machine. A chrome cobalt stylus with 1.12 mm diameter was applied against the specimens surfaces with a load of 2 kg. The weight of each samples before and after 5000, 10000, 20000, 40000, 80000 and 120000 cycles was measured using an electronic balance with precision of 10-4 grams. Data were analyzed using t test and paired t test. P0.05. Conclusion: Based on the results of this study, LED and halogen light curing units resulted in a similar wear rate in composite resin restorations.

  3. The Halogenated Metabolism of Brown Algae (Phaeophyta, Its Biological Importance and Its Environmental Significance

    Directory of Open Access Journals (Sweden)

    Stéphane La Barre

    2010-03-01

    Full Text Available 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.

  4. Molecular Engineering of Non-Halogenated Solution-Processable Bithiazole based Electron Transport Polymeric Semiconductors

    KAUST Repository

    Fu, Boyi

    2015-04-01

    The electron deficiency and trans planar conformation of bithiazole is potentially beneficial for the electron transport performance of organic semiconductors. However, the incorporation of bithiazole into polymers through a facile synthetic strategy remains a challenge. Herein, 2,2’-bithiazole was synthesized in one step and copolymerized with dithienyldiketopyrrolopyrrole to afford poly(dithienyldiketopyrrolopyrrole-bithiazole), PDBTz. PDBTz exhibited electron mobility reaching 0.3 cm2V-1s-1 in organic field-effect transistor (OFET) configuration; this contrasts with a recently discussed isoelectronic conjugated polymer comprising an electron rich bithiophene and dithienyldiketopyrrolopyrrole, which displays merely hole transport characteristics. This inversion of charge carrier transport characteristics confirms the significant potential for bithiazole in the development of electron transport semiconducting materials. Branched 5-decylheptacyl side chains were incorporated into PDBTz to enhance polymer solubility, particularly in non-halogenated, more environmentally compatible solvents. PDBTz cast from a range of non-halogenated solvents exhibited film morphologies and field-effect electron mobility similar to those cast from halogenated solvents.

  5. Self-assembly of iodine in superfluid helium droplets. Halogen bonds and nanocrystals

    Energy Technology Data Exchange (ETDEWEB)

    He, Yunteng; Zhang, Jie; Lei, Lei; Kong, Wei [Department of Chemistry, Oregon State University, Corvallis, OR (United States)

    2017-03-20

    We present evidence of halogen bond in iodine clusters formed in superfluid helium droplets based on results from electron diffraction. Iodine crystals are known to form layered structures with intralayer halogen bonds, with interatomic distances shorter than the sum of the van der Waals radii of the two neighboring atoms. The diffraction profile of dimer dominated clusters embedded in helium droplets reveals an interatomic distance of 3.65 Aa, much closer to the value of 3.5 Aa in iodine crystals than to the van der Waals distance of 4.3 Aa. The profile from larger iodine clusters deviates from a single layer structure; instead, a bi-layer structure qualitatively fits the experimental data. This work highlights the possibility of small halogen bonded iodine clusters, albeit in a perhaps limited environment of superfluid helium droplets. The role of superfluid helium in guiding the trapped molecules into local potential minima awaits further investigation. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Self-cleaning liner for halogenated hydrocarbon control in landfill leachate.

    Science.gov (United States)

    He, Shichong; Zhu, Lizhong

    2017-10-26

    Sorptive landfill liners can prevent the migration of the leachate pollutants. However, their sorption ability will decrease over time. A method should be developed to maintain the sorption ability of landfill liners. In this study, we combined cetyltrimethylammonium bromide-bentonite (CTMAB-bentonite) and zero-valent iron (ZVI) to develop a self-cleaning liner that can retain its sorption ability for a long period. Batch experiments and calculation simulations were employed to analyse the sorption ability of this liner material and the ecological risk of halogenated hydrocarbons. The results showed that CTMAB-bentonite could sorb halogenated hydrocarbons well, with saturated sorption capacities (Q m) of 10.2, 14.5, 6.69, 18.5, 29.4, and 49.7 mg·g(-1) for dichloroethane (DCA), trichloroethane (TCA), dichloroethene (DCE), trichloroethylene (TCE), tetrachloroethylene (PCE), and 1,3- dichloropropene (1,3-DCP), respectively. Using the mixture of 0.5 g iron and 0.5 g CTMAB-bentonite could dramatically increase the removal efficiency of DCE, TCE, and PCE. The reaction with ZVI did not change the structure of CTMAB-bentonite and its sorption ability remained consistent. Calculation results suggested that the self-cleaning landfill liner would dramatically decrease the hazard index (HI) of the eluate. However, the humic acid and salt in leachate would cause a reduction in the removal of halogenated hydrocarbons.

  7. Determination of the Halogenated Skeleton Constituents of the Marine Demosponge Ianthella basta

    Directory of Open Access Journals (Sweden)

    Susanne Ueberlein

    2017-02-01

    Full Text Available Demosponges of the order Verongida such as Ianthella basta exhibit skeletons containing spongin, a collagenous protein, and chitin. Moreover, Verongida sponges are well known to produce bioactive brominated tyrosine derivatives. We recently demonstrated that brominated compounds do not only occur in the cellular matrix but also in the skeletons of the marine sponges Aplysina cavernicola and I. basta. Further investigations revealed the amino acid composition of the skeletons of A. cavernicola including the presence of several halogenated amino acids. In the present work, we investigated the skeletal amino acid composition of the demosponge I. basta, which belongs to the Ianthellidae family, and compared it with that of A. cavernicola from the Aplysinidae family. Seventeen proteinogenic and five non-proteinogenic amino acids were detected in I. basta. Abundantly occurring amino acids like glycine and hydroxyproline show the similarity of I. basta and A. cavernicola and confirm the collagenous nature of their sponging fibers. We also detected nine halogenated tyrosines as an integral part of I. basta skeletons. Since both sponges contain a broad variety of halogenated amino acids, this seems to be characteristic for Verongida sponges. The observed differences of the amino acid composition confirm that spongin exhibits a certain degree of variability even among the members of the order Verongida.

  8. Estimating the climate significance of halogen-driven ozone loss in the tropical marine troposphere

    Directory of Open Access Journals (Sweden)

    A. Saiz-Lopez

    2012-05-01

    Full Text Available We have integrated observations of tropospheric ozone, very short-lived (VSL halocarbons and reactive iodine and bromine species from a wide variety of tropical data sources with the global CAM-Chem chemistry-climate model and offline radiative transfer calculations to compute the contribution of halogen chemistry to ozone loss and associated radiative impact in the tropical marine troposphere. The inclusion of tropospheric halogen chemistry in CAM-Chem leads to an annually averaged depletion of around 10% (~2.5 Dobson units of the tropical tropospheric ozone column, with largest effects in the middle to upper troposphere. This depletion contributes approximately −0.10 W m−2 to the radiative flux at the tropical tropopause. This negative flux is of similar magnitude to the ~0.33 W m−2 contribution of tropospheric ozone to present-day radiative balance as recently estimated from satellite observations. We find that the implementation of oceanic halogen sources and chemistry in climate models is an important component of the natural background ozone budget and we suggest that it needs to be considered when estimating both preindustrial ozone baseline levels and long term changes in tropospheric ozone.

  9. Tooth bleaching using three laser systems, halogen-light unit, and chemical action agents

    Science.gov (United States)

    Dostalova, Tatjana; Jelinkova, Helena; Housova, Devana; Sulc, Jan; Nemec, Michal; Koranda, Petr; Miyagi, Mitsunobu; Shi, Yi-Wei; Matsuura, Yuji

    2004-09-01

    μThe study describes the preclinical experience with laser-activated bleaching agent for discolored teeth. Extracted human upper central incisors were selected, and in the bleaching experiment 35% hydrogen peroxide was used. Three various laser systems and halogen-light unit for activation of the bleaching agent were applied. They were Alexandrite laser (wavelength 750 nm and 375 nm - SHG), Nd:YAG laser (wavelength 1.064 m), and Er:YAG laser (wavelength 2.94 μm). The halogen-light unit was used in a standard regime. The enamel surface was analyzed in the scanning electron microscope. The method of chemical oxidation results in a 2-3 shade change in one treatment. The halogen-light units produced the same effect with shorter time of bleaching process (from 630 s to 300 s). The Alexandrite laser (750 nm) and bleaching agent helped to reach the desired color shade after a shorter time (400 s). Alexandrite laser (375 nm) and Nd:YAG laser had no effect on the longevity of the process of bleaching. Overheating of the chemical bleaching agent was visible after Er:YAG laser activation (195 s). Slight surface modification after bleaching process was detected in SEM.

  10. Environmental levels and toxicological potencies of a novel mixed halogenated carbazole

    Directory of Open Access Journals (Sweden)

    Miren Pena-Abaurrea

    2016-09-01

    Full Text Available The present work involves an extensive analytical and toxicological description of a recently identified mixed halogenated carbazole found in sediment samples, 1,8-dibromo-3,6-dichloro-9H-carbazole (BCCZ. Concentrations and the relative effect potency (REP were calculated for the target BCCZ in a set of stream sediments collected in 2008 in Ontario, Canada. The levels calculated for BCCZ as compared to those previously assessed for legacy persistent organic pollutants (POPs in the same samples revealed a significant contribution of BCCZ to the total organic chemical contamination (<1%–95%; average 37%. The corresponding dioxin toxic equivalencies (TEQs of BCCZ in the sediment extracts were estimated from experimental REP data. The experimental data presented supports the classification of this emerging halogenated chemical as a contaminant of emerging environmental concern. Although potential emission sources could not be identified, this study highlights the importance of on-going research for complete characterization of halogenated carbazoles and related compounds.

  11. Photofragmentation spectra of halogenated methanes in the VUV photon energy range

    Energy Technology Data Exchange (ETDEWEB)

    Cartoni, Antonella, E-mail: antonella.cartoni@uniroma1.it [Dipartimento di Chimica e Tecnologie del Farmaco, Sapienza Università di Roma, P.le Aldo Moro 5, Roma 00185 (Italy); Bolognesi, Paola; Fainelli, Ettore; Avaldi, Lorenzo [CNR-IMIP, Area della Ricerca di Roma 1, Monterotondo Scalo (Rm) 00015 (Italy)

    2014-05-14

    In this paper an investigation of the photofragmentation of dihalomethanes CH{sub 2}X{sub 2} (X = F, Cl, Br, I) and chlorinated methanes (CH{sub n}Cl{sub 4−n} with n = 0–3) with VUV helium, neon, and argon discharge lamps is reported and the role played by the different halogen atoms is discussed. Halogenated methanes are a class of molecules used in several fields of chemistry and the study of their physical and chemical proprieties is of fundamental interest. In particular their photodissociation and photoionization are of great importance since the decomposition of these compounds in the atmosphere strongly affects the environment. The results of the present work show that the halogen-loss is the predominant fragmentation channel for these molecules in the VUV photon energy range and confirm their role as reservoir of chlorine, bromine, and iodine atoms in the atmosphere. Moreover, the results highlight the peculiar feature of CH{sub 2}F{sub 2} as a source of both fluorine and hydrogen atoms and the characteristic formation of I{sub 2}{sup +} and CH{sub 2}{sup +} ions from the photofragmentation of the CH{sub 2}I{sub 2} molecule.

  12. Noncovalent Halogen Bonding as a Mechanism for Gas-Phase Clustering

    DEFF Research Database (Denmark)

    Wegeberg, Christina; Donald, William A.; McKenzie, Christine

    2017-01-01

    Gas-phase clustering of nonionizable iodylbenzene (PhIO2) is attributed to supramolecular halogen bonding. Electrospray ionization results in the formation of ions of proton-charged and preferably sodium-charged clusters assignable to [H(PhIO2)n]+, n = 1–7; [Na(PhIO2)n]+, n = 1–6; [Na2(PhIO2)n]2...... for I and Na predict 298 K binding enthalpies for the protonated and sodiated iodylbenzene dimers and trimers are greater than 180 kJ/mol. This is exceptionally high in comparison with other protonated and sodiated clusters with well-established binding enthalpies. Strongly halogen-bonded motifs found...... in the crystalline phases of PhIO2 and its derivatives serve as models for the structures of larger gas-phase clusters, and calculations on simple model gas-phase dimer and trimer clusters result in similar motifs. This is the first account of halogen bonding playing an extensive role in gas-phase associations....

  13. Synthesis of deuterium-labelled halogen derivatives of L-tryptophan catalysed by tryptophanase.

    Science.gov (United States)

    Winnicka, Elżbieta; Szymańska, Jolanta; Kańska, Marianna

    2016-06-01

    The isotopomers of halogen derivatives of l-tryptophan (l-Trp) (4'-F-, 7'-F-, 5'-Cl- and 7'-Br-l-Trp), specifically labelled with deuterium in α-position of the side chain, were obtained by enzymatic coupling of the corresponding halogenated derivatives of indole with S-methyl-l-cysteine in (2)H2O, catalysed by enzyme tryptophanase (EC 4.1.99.1). The positional deuterium enrichment of the resulting tryptophan derivatives was controlled using (1)H NMR. In accordance with the mechanism of the lyase reaction, a 100% deuterium labelling was observed in the α-position; the chemical yields were between 23 and 51%. Furthermore, β-F-l-alanine, synthesized from β-F-pyruvic acid by the l-alanine dehydrogenase reaction, has been tested as a coupling agent to obtain the halogenated deuterium-labelled derivatives of l-Trp. The chemical yield (∼30%) corresponded to that as observed with S-methyl-l-cysteine but the deuterium label was only 63%, probably due to the use of a not completely deuterated incubation medium.

  14. Halogenated Organic Compounds Identified in Hydraulic Fracturing Wastewaters Using Ultrahigh Resolution Mass Spectrometry.

    Science.gov (United States)

    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.

  15. A Protein Data Bank survey reveals shortening of intermolecular hydrogen bonds in ligand-protein complexes when a halogenated ligand is an H-bond donor.

    Directory of Open Access Journals (Sweden)

    Jarosław Poznański

    Full Text Available Halogen bonding in ligand-protein complexes is currently widely exploited, e.g. in drug design or supramolecular chemistry. But little attention has been directed to other effects that may result from replacement of a hydrogen by a strongly electronegative halogen. Analysis of almost 30000 hydrogen bonds between protein and ligand demonstrates that the length of a hydrogen bond depends on the type of donor-acceptor pair. Interestingly, lengths of hydrogen bonds between a protein and a halogenated ligand are visibly shorter than those estimated for the same family of proteins in complexes with non-halogenated ligands. Taking into account the effect of halogenation on hydrogen bonding is thus important when evaluating structural and/or energetic parameters of ligand-protein complexes. All these observations are consistent with the concept that halogenation increases the acidity of the proximal amino/imino/hydroxyl groups and thus makes them better, i.e. stronger, H-bond donors.

  16. A Protein Data Bank Survey Reveals Shortening of Intermolecular Hydrogen Bonds in Ligand-Protein Complexes When a Halogenated Ligand Is an H-Bond Donor

    Science.gov (United States)

    Poznański, Jarosław; Poznańska, Anna; Shugar, David

    2014-01-01

    Halogen bonding in ligand-protein complexes is currently widely exploited, e.g. in drug design or supramolecular chemistry. But little attention has been directed to other effects that may result from replacement of a hydrogen by a strongly electronegative halogen. Analysis of almost 30000 hydrogen bonds between protein and ligand demonstrates that the length of a hydrogen bond depends on the type of donor-acceptor pair. Interestingly, lengths of hydrogen bonds between a protein and a halogenated ligand are visibly shorter than those estimated for the same family of proteins in complexes with non-halogenated ligands. Taking into account the effect of halogenation on hydrogen bonding is thus important when evaluating structural and/or energetic parameters of ligand-protein complexes. All these observations are consistent with the concept that halogenation increases the acidity of the proximal amino/imino/hydroxyl groups and thus makes them better, i.e. stronger, H-bond donors. PMID:24933273

  17. Compact all-fiber quartz-enhanced photoacoustic spectroscopy sensor with a 30.72 kHz quartz tuning fork and spatially resolved trace gas detection

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Yufei, E-mail: mayufei@hit.edu.cn [National Key Laboratory of Science and Technology on Tunable Laser, Harbin Institute of Technology, Harbin 150001 (China); Post-doctoral Mobile Station of Power Engineering and Engineering Thermophysics, Harbin Institute of Technology, Harbin 150001 (China); He, Ying; Yu, Xin; Zhang, Jingbo [National Key Laboratory of Science and Technology on Tunable Laser, Harbin Institute of Technology, Harbin 150001 (China); Sun, Rui [Post-doctoral Mobile Station of Power Engineering and Engineering Thermophysics, Harbin Institute of Technology, Harbin 150001 (China); Tittel, Frank K. [Department of Electrical and Computer Engineering, Rice University, 6100 Main Street, Houston, Texas 77005 (United States)

    2016-02-29

    An ultra compact all-fiber quartz-enhanced photoacoustic spectroscopy (QEPAS) sensor using quartz tuning fork (QTF) with a low resonance frequency of 30.72 kHz was demonstrated. Such a sensor architecture has the advantages of easier optical alignment, lower insertion loss, lower cost, and more compact compared with a conventional QEPAS sensor using discrete optical components for laser delivery and coupling to the QTF. A fiber beam splitter and three QTFs were employed to perform multi-point detection and demonstrated the potential of spatially resolved measurements.

  18. Compact all-fiber quartz-enhanced photoacoustic spectroscopy sensor with a 30.72 kHz quartz tuning fork and spatially resolved trace gas detection

    Science.gov (United States)

    Ma, Yufei; He, Ying; Yu, Xin; Zhang, Jingbo; Sun, Rui; Tittel, Frank K.

    2016-02-01

    An ultra compact all-fiber quartz-enhanced photoacoustic spectroscopy (QEPAS) sensor using quartz tuning fork (QTF) with a low resonance frequency of 30.72 kHz was demonstrated. Such a sensor architecture has the advantages of easier optical alignment, lower insertion loss, lower cost, and more compact compared with a conventional QEPAS sensor using discrete optical components for laser delivery and coupling to the QTF. A fiber beam splitter and three QTFs were employed to perform multi-point detection and demonstrated the potential of spatially resolved measurements.

  19. Quantitative study of protein-protein interactions by quartz nanopipettes

    Science.gov (United States)

    Tiwari, Purushottam Babu; Astudillo, Luisana; Miksovska, Jaroslava; Wang, Xuewen; Li, Wenzhi; Darici, Yesim; He, Jin

    2014-08-01

    In this report, protein-modified quartz nanopipettes were used to quantitatively study protein-protein interactions in attoliter sensing volumes. As shown by numerical simulations, the ionic current through the conical-shaped nanopipette is very sensitive to the surface charge variation near the pore mouth. With the appropriate modification of negatively charged human neuroglobin (hNgb) onto the inner surface of a nanopipette, we were able to detect concentration-dependent current change when the hNgb-modified nanopipette tip was exposed to positively charged cytochrome c (Cyt c) with a series of concentrations in the bath solution. Such current change is due to the adsorption of Cyt c to the inner surface of the nanopipette through specific interactions with hNgb. In contrast, a smaller current change with weak concentration dependence was observed when Cyt c was replaced with lysozyme, which does not specifically bind to hNgb. The equilibrium dissociation constant (KD) for the Cyt c-hNgb complex formation was derived and the value matched very well with the result from surface plasmon resonance measurement. This is the first quantitative study of protein-protein interactions by a conical-shaped nanopore based on charge sensing. Our results demonstrate that nanopipettes can potentially be used as a label-free analytical tool to quantitatively characterize protein-protein interactions.In this report, protein-modified quartz nanopipettes were used to quantitatively study protein-protein interactions in attoliter sensing volumes. As shown by numerical simulations, the ionic current through the conical-shaped nanopipette is very sensitive to the surface charge variation near the pore mouth. With the appropriate modification of negatively charged human neuroglobin (hNgb) onto the inner surface of a nanopipette, we were able to detect concentration-dependent current change when the hNgb-modified nanopipette tip was exposed to positively charged cytochrome c (Cyt c) with

  20. Fluoride retardation from quartz sand-packed column tests

    Directory of Open Access Journals (Sweden)

    Eduardo Usunoff

    2009-06-01

    Full Text Available Inasmuch as both low and high concentrations of F- in groundwater have different detrimental effects on human health (increased dental caries, and mottled enamel or even severe structural bone deformations, respectively, many efforts have focused on the movement of such anion in aqueous systems. It is so because water drinking is the main intake of F- by humans. This paper presents the results of seven dynamic experiments in which solutions of varying [F-], pH, and flow velocities circulated through columns packed with clean quartz sand. The breakthrough data were analyzed by means of a computer code adapted to the estimation of equilibrium and non-equilibrium solute transport parameters from miscible displacement experiments in a steady-state, uniform flow field using a pulse-type or continuous source. It was found that larger retardation factors (R are associated with low pH, low [F-] in the feed solutions, and larger flow velocities. Such results appear to be related to the form of the F species, the rather weak bond between the adsorbate and the quartz sand, and stronger anion repulsion at low pore velocities. The estimated values for R vary between 1,22 and 1,50, whereas the distribution coefficients were in the range of 0,1 to 0,05 L kg-1. It should be said that the breakthrough curves display hysteresis, leading to a desorption behavior that proceeds faster than the adsorption process.Puesto que tanto valores bajos como altos de F- en las aguas subterráneas tienen efectos adversos en la salud de los humanos (mayor cantidad de caries, y manchas del esmalte dental e incluso deformaciones óseas, respectivamente, han sido muchos los esfuerzos destinados a dilucidar el movimiento de especies fluoradas en ambientes acuosos. Ello es así porque el consumo de agua por parte de seres humanos representa la mayor fuente de ingreso de F-. Este trabajo presenta los resultados de siete experimentos dinámicos en los que soluciones de diferentes [F

  1. Transport of Escherichia coli in 25 m quartz sand columns.

    Science.gov (United States)

    Lutterodt, G; Foppen, J W A; Maksoud, A; Uhlenbrook, S

    2011-01-25

    To help improve the prediction of bacteria travel distances in aquifers laboratory experiments were conducted to measure the distant dependent sticking efficiencies of two low attaching Escherichia coli strains (UCFL-94 and UCFL-131). The experimental set up consisted of a 25 m long helical column with a diameter of 3.2 cm packed with 99.1% pure-quartz sand saturated with a solution of magnesium sulfate and calcium chloride. Bacteria mass breakthrough at sampling distances ranging from 6 to 25.65 m were observed to quantify bacteria attachment over total transport distances (α(L)) and sticking efficiencies at large intra-column segments (α(i)) (>5m). Fractions of cells retained (F(i)) in a column segment as a function of α(i) were fitted with a power-law distribution from which the minimum sticking efficiency defined as the sticking efficiency of 0.001% bacteria fraction of the total input mass retained that results in a 5 log removal were extrapolated. Low values of α(L) in the order 10(-4) and 10(-3) were obtained for UCFL-94 and UCFL-131 respectively, while α(i)-values ranged between 10(-6) to 10(-3) for UCFL-94 and 10(-5) to 10(-4) for UCFL-131. In addition, both α(L) and α(i) reduced with increasing transport distance, and high coefficients of determination (0.99) were obtained for power-law distributions ofα(i) for the two strains. Minimum sticking efficiencies extrapolated were 10(-7) and 10(-8) for UCFL-94 and UCFL-131, respectively. Fractions of cells exiting the column were 0.19 and 0.87 for UCFL-94 and UCL-131, respectively. We concluded that environmentally realistic sticking efficiency values in the order of 10(-4) and 10(-3) and much lower sticking efficiencies in the order 10(-5) are measurable in the laboratory, Also power-law distributions in sticking efficiencies commonly observed for limited intra-column distances (6m) in columns packed with quartz grains. High fractions of bacteria populations may possess the so-called minimum sticking

  2. Retrospective dosimetry using Japanese brick quartz: A way forward despite an unstable fast decaying OSL signal

    DEFF Research Database (Denmark)

    Fujita, Hiroki; Jain, Mayank; Murray, A.S.

    2011-01-01

    of Japanese brick quartz examined here can be used to derive precise estimates of accident dose, and, possibly to distinguish between sources of gamma radiation in a nuclear accident. To our knowledge, this is the first report on the existence of an unstable fast decaying OSL signal in quartz derived from......Quartz extracted from heated bricks has been previously suggested for use in dose estimation in accident dosimetry, but this technique has never been applied before to Japanese quartz which often has unusual OSL characteristics. In this study the optically stimulated luminescence (OSL...... peak, which necessitates a prior heat treatment. A single-aliquot regenerative-dose (SAR) protocol is developed and tested using thermal treatments intended to isolate a stable dosimetric signal. A minimum detection limit of 65 mGy is then estimated using this protocol. Following irradiation using 60Co...

  3. ANIE: A Mathematical Algorithm for Automated Indexing of Planar Deformation Features in Shocked Quartz

    Science.gov (United States)

    Huber, M. S.; Ferrière, L.; Losiak, A.; Koeberl, C.

    2011-03-01

    A mathematical method of indexing planar deformation features in quartz and a Microsoft Excel macro for automated indexing is presented, allowing for more rapid and accurate results than the previously used manual method.

  4. The preservation of quartz grain surface textures following vehicle fire and their use in forensic enquiry.

    Science.gov (United States)

    Morgan, R M; Little, M; Gibson, A; Hicks, L; Dunkerley, S; Bull, P A

    2008-09-01

    During a terrorist trial, dispute arose as to whether the temperature produced in a car fire was sufficient to destroy quartz grain surface textures. A series of seven sequential experiments showed that the temperature for quartz surface texture modification/destruction and the production of vugs, vesicles and glassy precipitation ('snowdrifting') occurred at 1200 degrees C under normal atmospheric conditions. By adding a number of man-made and natural substances, it was found that only the presence of salts depressed this modification temperature (to 900 degrees C). Experiments to determine the temperature of fire in a car indicated that the maximum temperature produced under natural conditions (810 degrees C) was insufficient to affect the quartz grain surface textures. These results confirm the use of surface texture analysis of quartz grains recovered from the remains of cars subjected to fire and their use as a forensic indicator.

  5. Fast three-step method for shear moduli calculation from quartz crystal resonator measurements.

    Science.gov (United States)

    Behling, C; Lucklum, R; Hauptmann, P

    1999-01-01

    Quartz crystal resonator measurements can be used for polymer material characterization. The non-gravimetric regime of these resonators is exploited: the electrical response of polymer-coated quartz resonators depends on the polymer shear modulus. Previously reported methods employ an electrical admittance analysis together with difficult and time-consuming data fitting procedures to calculate the film shear modulus. This contribution presents a fast and accurate three-step method for the calculation of complex shear moduli of polymer films from quartz crystal resonator measurements. In the first step, the acoustic load impedance is calculated from the electrical admittance of the quartz crystal. The key point of this method is the application of a family of approximations for the calculation of the shear modulus from the acoustic load impedance in the second step. In the third step, the best approximation is improved further in an iterative procedure.

  6. The Suitability Of Local Quartz Sand In The Production Of Bath Crucibles

    National Research Council Canada - National Science Library

    C. O. Okpanachi; S. I. Ibrahim; A. C. Okoro; K. Dogo; M. K. Idris

    2015-01-01

    The suitability of local quartz sand in the production of bath crucibles is a study that was carried out in order to impart overall strength on bath crucibles hence reduce breakages during fettling...

  7. Quartz Knapping Strategies in the Howiesons Poort at Sibudu (KwaZulu-Natal, South Africa)

    Science.gov (United States)

    de la Peña, Paloma; Wadley, Lyn

    2014-01-01

    The variability associated with Sibudu's Howiesons Poort Industry highlights the unpredictable trajectory of technology in the Middle Stone Age. We reach this conclusion through a study of the technology on quartz from one of the Howiesons Poort layers (Grey Sand) from Sibudu rock shelter. Quartz bifacial technology has previously been described at the site, but this new in-depth study of the quartz technology reveals other strategies. First is the recurring employment of bipolar knapping, formerly considered as a defining feature of the Later Stone Age. Secondly, we highlight a laminar technology with emphasis on small quartz bladelets. Bipolar cores are most common, followed by prismatic cores. The knapping strategies in Grey Sand seem to involve systematic recycling and the deliberate production of microliths. PMID:25014352

  8. Structural analysis of the fracture surface of a heterogeneous body (quartz sandstone)

    Science.gov (United States)

    Vettegren', V. I.; Mamalimov, R. I.; Kulik, V. B.; Patonin, A. V.; Ponomarev, A. V.; Sobolev, G. A.; Shcherbakov, I. P.

    2017-07-01

    The structure of surface layers of quartz sandstone with a thickness of 1 μm before and after destruction by a compressive stress is studied by methods of infrared, photoluminescent, and Raman spectroscopy. Before destruction, this layer contained quartz grains cemented with montmorrillonite and kaolinite. The grains are covered with a thin water layer and have crystallographic defects: Si-O-, self-trapped excitons, AlOH and LiOH compounds, [AlO4]- centers, etc. The destructed surface contains separate quartz grains with sizes of 2 μm and a reduced defect concentration. It is assumed that the defects reduce the strength of quartz grains, which are destroyed in the first turn.

  9. Contamination-free graphene by chemical vapor deposition in quartz furnaces

    National Research Council Canada - National Science Library

    Nicola Lisi; Theodoros Dikonimos; Francesco Buonocore; Martina Pittori; Raffaello Mazzaro; Rita Rizzoli; Sergio Marras; Andrea Capasso

    2017-01-01

    .... When graphene is grown in quartz furnaces, in particular, it is common to end up with samples contaminated by heterogeneous particles, which alter the growth mechanism and affect graphene’s properties...

  10. Quantitative Classification of Quartz by Laser Induced Breakdown Spectroscopy in Conjunction with Discriminant Function Analysis

    Directory of Open Access Journals (Sweden)

    A. Ali

    2016-01-01

    Full Text Available A responsive laser induced breakdown spectroscopic system was developed and improved for utilizing it as a sensor for the classification of quartz samples on the basis of trace elements present in the acquired samples. Laser induced breakdown spectroscopy (LIBS in conjunction with discriminant function analysis (DFA was applied for the classification of five different types of quartz samples. The quartz plasmas were produced at ambient pressure using Nd:YAG laser at fundamental harmonic mode (1064 nm. We optimized the detection system by finding the suitable delay time of the laser excitation. This is the first study, where the developed technique (LIBS+DFA was successfully employed to probe and confirm the elemental composition of quartz samples.

  11. The Quartz-Crystal Microbalance in an Undergraduate Laboratory Experiment: I. Fundamentals and Instrumentation

    Science.gov (United States)

    Tsionsky, Vladimir

    2007-01-01

    The fundamentals, as well as the instrumentation of the quartz-crystal microbalance (QCM) technique that is used in an undergraduate laboratory experiment are being described. The QCM response can be easily used to change the properties of any system.

  12. Installation and evaluation of weigh-in-motion utilizing quartz-piezo sensor technology.

    Science.gov (United States)

    2016-06-28

    The objective of the research study was: to install a quartz-piezo based WIM system, and to : determine sensor survivability, accuracy and reliability under actual traffic conditions in : Connecticuts environment. If the systems prove dependable a...

  13. Comparative Petrographic Maturity of River and Beach Sand, and Origin of Quartz Arenites.

    Science.gov (United States)

    Ferree, Rob A.; And Others

    1988-01-01

    Describes a deterministic computer model that incorporates: (1) initial framework composition; (2) abrasion factors for quartz, feldspar, and rock fragments; and (3) a fragmentation ratio for rock fragments to simulate the recycling of coastal sands by rivers and beaches. (TW)

  14. Bacterial attachment and detachment in aluminum-coated quartz sand in response to ionic strength change.

    Science.gov (United States)

    Lee, Chang-Gu; Park, Seong-Jik; Han, Yong-Un; Park, Jeong-Ann; Kim, Song-Bae

    2010-06-01

    Column experiments were performed to investigate the effect of ionic strength on the attachment and detachment of Staphylococcus aureus ATCC 10537 and Bacillus subtilis ATCC 6633 in aluminum-coated quartz sand. Results showed that the average mass recovery decreased from 80.7 to 45.3% in quartz sand and remained constant in aluminum-coated sand with increasing ionic concentrations of sodium chloride solution from 1 to 100 mmol/L. As the ionic concentrations of leaching solution changed from 100 to 0.1 mmol/L, average mass recovery of 39.1% was obtained from quartz sand (bacterial release), but no detachment was observed from aluminum-coated sand. This lack of detachment can be attributed to inner-sphere complexes between bacteria and aluminum-coated sand, which are minimally affected by ionic strength. This research indicates that aluminum-coated sand has advantages over quartz sand in bacteria removal in water filtration systems.

  15. Quartz knapping strategies in the Howiesons Poort at Sibudu (KwaZulu-Natal, South Africa.

    Directory of Open Access Journals (Sweden)

    Paloma de la Peña

    Full Text Available The variability associated with Sibudu's Howiesons Poort Industry highlights the unpredictable trajectory of technology in the Middle Stone Age. We reach this conclusion through a study of the technology on quartz from one of the Howiesons Poort layers (Grey Sand from Sibudu rock shelter. Quartz bifacial technology has previously been described at the site, but this new in-depth study of the quartz technology reveals other strategies. First is the recurring employment of bipolar knapping, formerly considered as a defining feature of the Later Stone Age. Secondly, we highlight a laminar technology with emphasis on small quartz bladelets. Bipolar cores are most common, followed by prismatic cores. The knapping strategies in Grey Sand seem to involve systematic recycling and the deliberate production of microliths.

  16. Sand and soil dynamics studied by quartz OSL dating

    Science.gov (United States)

    Wallinga, J.; Schilder, M.; van Mourik, J.

    2012-04-01

    Landscape evolution is the result of altering periods with active geomorphological processes and relatively stable periods with soil development. Soils and buried soils in polycyclic profiles are important indicators of landscape stability. Buried soils as micropodzols in polycyclic driftsand sequences are a common phenomena in driftsand landscapes. Insight in the age of the buried soils is of paramount importance to determine whether they indicate local or regional phases of landscape stability. However, accurate datingof palaeosols is often problematic. Here we investigate the use of optically stimulated luminescence (OSL) dating for determining the time, available for soil formation and duration of palaeosol formation. We studied young drift-sand deposits in the Weerterbergen area in SE-Netherlands. Samples were taken from six shallow pits (aeolian sand was samples both below and above a palaeosol. For comparison, the humic fraction of the palaeosols was dated with radiocarbon methods. OSL properties of the sand-sized quartz grains were suitable for luminescence dating. Internal consistency of results indicated that the wind-blown material was exposed sufficiently to daylight to entirely reset the OSL signal in all grains prior to deposition and burial. Results were in correct stratigraphic order, and showed that the sand deposits, and the sandwiched palaeosols, were formed during the past 200 years. The palaeosols were dated to different periods, and OSL ages suggested that the duration of soil formation was very short (< 10 years) in some cases. For all six sites, OSL ages were much younger than the radiocarbon ages on the humic soil fraction. The latter ranged from 100 to 1500 years. Further micro-morphological investigation of the palaeosols indicated the abundance of wind-blown organic material in the soils, partly originating from bronze-age hearths in the area. Combining this information with the OSL ages made clear that some of the 'palaeosols' consisted

  17. Quartz crystal microbalance biosensor for rapid detection of aerosolized microorganisms

    Science.gov (United States)

    Farka, Zdenĕk.; Kovár, David; Skládal, Petr

    2015-05-01

    Biological warfare agents (BWAs) represent the current menace of the asymmetric war. The early detection of BWAs, especially in the form of bioaerosol, is a challenging task for governments all around the world. Label-free quartz crystal microbalance (QCM) immunosensor and electrochemical immunosensor were developed and tested for rapid detection of BWA surrogate (E. coli) in the form of bioaerosol. Two immobilization strategies for the attachment of antibody were tested; the gold sensor surface was activated by cysteamine and then antibody was covalently linked either using glutaraldehyde, or the reduced antibodies were attached via Sulfo-SMCC. A portable bioaerosol chamber was constructed and used for safe manipulation with aerosolized microorganisms. The dissemination was done using a piezoelectric humidifier, distribution of bioaerosol inside the chamber was ensured using three 12-cm fans. The whole system was controlled remotely using LAN network. The disseminated microbial cells were collected and preconcentrated using the wetted-wall cyclone SASS 2300, the analysis was done using the on-line linked immunosensors. The QCM immunosensor had limit of detection 1×104 CFU·L-1 of air with analysis time 16 min, the whole experiment including dissemination and sensor surface regeneration took 40 min. In case of blank (disseminated sterile buffer), no signal change was observed. The electrochemical immunosensor was able to detect 150 CFU·L-1 of air in 20 min; also in this case, no interferences were observed. Reference measurements were done using particle counter Met One 3400 and by cultivation method on agar plates. The sensors have proved to be applicable for rapid screening of microorganisms in air.

  18. Arsenic Sulfide Nanowire Formation on Fused Quartz Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Olmstead, J.; Riley, B.J.; Johnson, B.R.; Sundaram, S.K.

    2005-01-01

    Arsenic sulfide (AsxSy) nanowires were synthesized by an evaporation-condensation process in evacuated fused quartz ampoules. During the deposition process, a thin, colored film of AsxSy was deposited along the upper, cooler portion of the ampoule. The ampoule was sectioned and the deposited film analyzed using scanning electron microscopy (SEM) to characterize and semi-quantitatively evaluate the microstructural features of the deposited film. A variety of microstructures were observed that ranged from a continuous thin film (warmer portion of the ampoule), to isolated micron- and nano-scale droplets (in the intermediate portion), as well as nanowires (colder portion of the ampoule). Experiments were conducted to evaluate the effects of ampoule cleaning methods (e.g. modify surface chemistry) and quantity of source material on nanowire formation. The evolution of these microstructures in the thin film was determined to be a function of initial pressure, substrate temperature, substrate surface treatment, and initial volume of As2S3 glass. In a set of two experiments where the initial pressure, substrate thermal gradient, and surface treatment were the same, the initial quantity of As2S3 glass per internal ampoule volume was doubled from one test to the other. The results showed that AsxSy nanowires were only formed in the test with the greater initial quantity of As2S3 per internal ampoule volume. The growth data for variation in diameter (e.g. nanowire or droplet) as a function of substrate temperature was fit to an exponential trendline with the form y = Aekx, where y is the structure diameter, A = 1.25×10-3, k = 3.96×10-2, and x is the temperature with correlation coefficient, R2 = 0.979, indicating a thermally-activated process.

  19. Sorption of fluoride by quartz sand: batch tests

    Directory of Open Access Journals (Sweden)

    Eduardo Usunoff

    2009-06-01

    Full Text Available Despite the many efforts of scientists, in particular those from the field of soil science, the fate and distribution of fluorine (F species in soils and aquifers remain relatively unraveled. As for groundwater systems, such a shortcoming makes difficult the finding and development of safe water supplies. Likewise, the use of transport models does not render acceptable results because of the many uncertainties related to the behavior of F in aqueous media. This paper presents the results of four batch test in which solutions of different pH and [F-] (concentration of fluoride were in contact during 48 hours with clean quartz sand grains. The resulting data were fitted by linear versions of the Freundlich, the Langmuir, and the Langmuir-Freundlich models. The [F-] was varied between 0,5 and 10 mg L-1, except in one batch where a large initial concentration of F was used (45 mg L-1, and the range of pH used was 2,95 to 5,02. From a sieve analysis, the quartz grains had a medium size (d50 of 0,25 mm, and a uniformity coefficient (d40/d90 of 1,65. According to the fits and some dedicated goodness of fit indices, the Langmuir-Freundlich approach gave the best results for the batch test at the lowest pH, whereas the three remaining tests data were fitted by the Freundlich equation. It has to be mentioned that the pH of the equilibrium solutions were higher than the pH of the initial solutions, which was interpreted as an exchange process of OH- by F- on the quartz sand surface. However, such an exchange does not stand out as the exclusive mechanism promoting the F- disappearance from solution. It is deemed that the obtained results can be used as initial estimates of parameters in models used for calibrating the transport of F- in aquifers.A pesar de los muchos esfuerzos de los científicos, en particular de aquellos dedicados a las ciencias del suelo, el destino y la distribución de las especies de F (flúor en suelos y acuíferos continúan siendo

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

    Science.gov (United States)

    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).