Sample records for fluoroborates

  1. Interactions of p-Nitrobenzene Diazonium Fluoroborate and Analogs with the Active Sites of Acetylcholine-Receptor and -Esterase*

    PubMed Central

    Mautner, Henry G.; Bartels, Eva

    1970-01-01

    p-Nitrobenzene diazonium fluoroborate (NDF) is a potent inhibitor of the carbamylcholine-induced depolarization of the electroplax and of acetylcholinesterase. It probably forms covalent bonds with the acetylcholine-receptor and -esterase at the active site of the proteins. Its inhibitory strength is at least the same as that of trimethylammonium diazonium fluoroborate (TDF). The p-acetoxy analog, with its weaker electron-withdrawing group, is about ten times weaker as an inhibitor than the trimethylammonium or p-nitro analogs, both of which have strong electron-withdrawing groups. After treatment of the electroplax preparation with dithiothreitol, NDF remains an irreversible receptor-inhibitor, while TDF becomes a potent reversible receptor-activator. TDF is self-inhibitory: applied before reduction, it no longer depolarizes. Although the first observations on TDF suggested that the compound labels both proteins by virtue of the steric complementary of its trimethylammonium group to a negative subsite in the proteins, the present study indicates that it is the positively charged diazonium group that reacts with the active sites of the proteins to form a covalent bond with an appropriate amino-acid residue. PMID:5272331

  2. 49 CFR Appendix D to Part 180 - Hazardous Materials Corrosive to Tanks or Service Equipment

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... internal coating or lining appropriately based on its knowledge of the chemical and not rely simply on this... Ferric chloride, solution Fertilizer ammoniating solution (Nitrogen fertilizer solution) Fluoroboric acid...

  3. 49 CFR Appendix D to Part 180 - Hazardous Materials Corrosive to Tanks or Service Equipment

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... internal coating or lining appropriately based on its knowledge of the chemical and not rely simply on this... Ferric chloride, solution Fertilizer ammoniating solution (Nitrogen fertilizer solution) Fluoroboric acid...

  4. 49 CFR Appendix D to Part 180 - Hazardous Materials Corrosive to Tanks or Service Equipment

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... internal coating or lining appropriately based on its knowledge of the chemical and not rely simply on this... Ferric chloride, solution Fertilizer ammoniating solution (Nitrogen fertilizer solution) Fluoroboric acid...

  5. Fluorescence properties of Eu3+ ions doped borate and fluoroborate glasses containing lithium, zinc and lead.

    PubMed

    Venkatramu, V; Babu, P; Jayasankar, C K

    2006-02-01

    The influence of glass composition on the fluorescence properties of Eu3+ ions doped borate and fluoroborate glasses modified with Li+, Zn2+ and Pb2+ cations have been investigated. The magnitude of splittings of 7F1 levels are analyzed using crystal-field (CF) analysis. The relative intensities of 5D0 --> 7F2 to 5D0 --> 7F1 transitions, crystal-field strength parameters and decay times of the 5D0 level have been determined and are found to be lower for Pb based glasses than those of Zn/Li based glasses. The lifetimes of 5D0 level are found to increase when borate glasses are modified with pure fluorides than with oxides and oxyfluorides. The fluorescence decay of 5D0 level fits perfect single exponential in the Eu3+:glass systems studied which indicates the absence of energy transfer between Eu3+ ions in these glasses.

  6. Structural and optical studies on Sm3+ ions doped bismuth fluoroborate glasses for visible laser applications

    NASA Astrophysics Data System (ADS)

    Mariyappan, M.; Suthanthirakumar, P.; Arunkumar, S.; Marimuthu, K.

    2018-04-01

    A new series of Sm3+ doped bismuth fluoroborate glasses have been prepared following the melt quenching technique with the chemical composition (55-x)B2O3+15BiF3+15CaF2+15NaF+xSm2O3 (where x = 0.1, 0.25, 0.5, 1 and 2 in wt%). The structural analysis was made by recording XRD, SEM and EDAX spectra. The XRD pattern reveals the amorphous nature and EDAX confirms the presence of elements in the titled glasses. The optical properties have been explored through recording NIR absorption, photoluminescence spectra. Radiative properties such as transition probability (A), stimulated emission cross-section (σp) and branching ratio (βR) for the 4G5/2 → 6H5/2, 6H7/2, 6H9/2 emission levels were determined. The luminescence quenching for the prominent 4G5/2→6H7/2 emission transition have been observed while increasing the Sm3+ ions concentration beyond 0.5wt%. The CIE chromaticity coordinates of the present glasses lay in the orange-red region thus indicates its suitability for the reddish-orange emission.

  7. Ion chromatography in the manufacture of multilayer circuit boards

    NASA Astrophysics Data System (ADS)

    Smith, R. E.

    1987-10-01

    Ion chromatography (IC) has proven useful in analyzing chemical solutions used in the manufacture of multilayer circuit boards. IC provides results on ions not expected in the production solutions. Thus, solution contamination and breakdown products can be monitored in every phase of the circuit board manufacturing. During the first phase, epoxy laminates experience an etchback, first in chromic acid, which can be analyzed for trace chloride and sulfate, then in ammonium bifluoride/HCl, which can be analyzed for fluoride and chloride. Following a wet blasting to roughen up the surface, 20 mu in. of copper are deposited using an electroless bath. Again, IC is applicable for monitoring formate, tartarate, and sulfate levels. Next, an acid copper bath is used to electroplate the through holes with 0.001 in. of ductile copper. This bath is analyzed for trace chloride. Photoimaging is then performed, and the organic solvents used can be assayed for trace ionic chloride. Finally, a fluoroboric acid-based tin-lead bath is used to deposit a solderable alloy. This bath is analyzed for total fluoroborate, tin, and lead. In addition, mobile phase ion chromatography (MPIC) is used to monitor the nonionic organic brighteners in the baths.

  8. Ion chromatography in the manufacture of multilayer circuit boards

    NASA Astrophysics Data System (ADS)

    Smith, Robert E.

    1990-01-01

    Ion chromatography (IC) has proven useful in analyzing chemical solutions used in the manufacture of multilayer circuit boards. Unlike other chemical quantification techniques, IC provides results on ions not expected in the production solutions. Thus, solution contamination and break-down products can be monitored in every phase of the circuit board manufacturing. During the first phase, epoxy laminates experience an etchback, first in chromic acid, which can be analyzed for trace chloride and sulfate, then in ammonium bifluoride/HCl, which can be analyzed for fluoride and chloride. Following a wet-blasting to roughen up the surface, 20 microinches of copper are deposited using an electroless bath. Again, IC is applicable for monitoring formate, tartarate, and sulfate levels. Next, an acid copper bath is used to electroplate the through holes with 0.001 inches of ductile copper. This bath is analyzed for trace chloride. Photoimaging is then performed, and the organic solvents used can be assayed for trace ionic chloride. Finally, a fluoroboric acid-based tin-lead bath is used to deposit a solderable alloy. This bath is analyzed for fluoroborate, tin, and lead. In addition, mobile phase ion chromatography (MPIC) is used to monitor the nonionic organic brighteners in the baths.

  9. New Nitration Concepts

    DTIC Science & Technology

    1987-09-01

    CIECLASSiPCAflON DOWNGRAAING SCHEDULE d is trib ut ion unlimited N/A _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ 4 PERFORM!NG ORGANIZATION REPORT NUMBER(S) s. moio OGNZTON...substitute nitroso for silicon by reaction of the silylated compound with nitrosonium fluoroborate but time and funding did not permit completion of...acetylenes, 10.8,9 The synthesis is achieved by treating a bis-substituted trialkylsilyl- acetylene with a nitronium ion 3ource (i.e., nitronium tetrafluoro

  10. Structural, thermal and optical investigations of Dy3+ ions doped lead containing lithium fluoroborate glasses for simulation of white light

    NASA Astrophysics Data System (ADS)

    Zulfiqar Ali Ahamed, Sd.; Madhukar Reddy, C.; Deva Prasad Raju, B.

    2013-05-01

    Lead containing barium zinc lithium fluoroborate (LBZLFB) glasses doped with different concentrations of trivalent dysprosium ions were synthesized by conventional melt quenching method and characterized through the XRD, DSC, FTIR, FT-Raman, optical absorption, photoluminescence and decay curve analysis. X-ray diffraction studies revealed amorphous nature of the studied glass matrices. The thermal behavior has been reported by recording DSC thermograms. Coexistence of trigonal BO3 and tetrahedral BO4 units was evidenced by IR and Raman spectroscopy. Judd-Ofelt intensity parameters have been evaluated for 1.0 mol% Dy3+ ions doped LBZLFB glass. The measuring branching ratios are reasonably high for transitions 4F9/2 → 6H15/2 and 6H13/2 suggesting that the emission at 486 and 577 nm, respectively can give rise to lasing action in the visible region. From the visible emission spectra, the yellow to blue (Y/B) intensity ratios and chromaticity color coordinates were estimated. A combination of blue and yellow emissions has emerged in the glasses, which allows the observation of white light when the glasses are excited by the ultraviolet/blue light. These Dy3+ doped glasses are studied for their utility for white light generation under 454 nm excitation and the present LBZLFB glass is more suitable for generation of white light for blue LED chips.

  11. Synthesis and antibacterial properties of water-dispersible silver nanoparticles stabilized by metal-carbon σ-bonds

    NASA Astrophysics Data System (ADS)

    Kawai, Koji; Narushima, Takashi; Kaneko, Kotaro; Kawakami, Hayato; Matsumoto, Miyuki; Hyono, Atsushi; Nishihara, Hiroshi; Yonezawa, Tetsu

    2012-12-01

    The synthesis of 4-diazoniumcarboxylbenzene fluoroborate, a new water-soluble stabilizer for metal nanoparticles (NPs), is described. A stable dispersion of Ag NPs in water was successfully produced by a simultaneous aqueous reduction of this diazonium salt and silver nitrate by NaBH4. UV-vis spectra, TEM images, XRD patterns, and XPS spectra of the obtained Ag NPs revealed that they were stabilized by Ag-C σ-bonds. These NPs showed excellent antimicrobial properties against Staphylococcus aureus.

  12. Spectroscopic investigations of neodymium doped barium bismuth fluoroborate glasses

    NASA Astrophysics Data System (ADS)

    Mariselvam, K.; Arun Kumar, R.; Manasa, P.

    2018-06-01

    A new series of neodymium doped barium bismuth fluoroborate glasses with the chemical composition of (70-x)H3BO3 + 5Bi2O3 + 10BaCO3 + 7.5CaF2 + 7.5ZnO + xNd2O3 (where x = 0.05, 0.1, 0.25, 0.5, 1, 2 (in wt.%) have been prepared by the conventional melt quenching method. The powder X-ray diffraction pattern confirms the amorphous nature of the prepared glasses. The Urbach energy reveals the minimum disorderness of the glass samples. Judd-Ofelt intensity parameters (Ωλ = 2, 4 and 6) were derived from the absorption spectrum and were used to calculate the emission properties. The near infrared emission spectra recorded with 808 nm laser diode excitation for different concentrations of Nd3+ ions and the emission for the 4F3/2 → 4I11/2 transition at 1060 nm found to be high intense. The measured decay curves for 4F3/2 fluorescent level exhibit single exponential nature with shortening of lifetime with increase in concentration. The laser parameters such as stimulated emission cross-section, branching ratios, gain band width and optical gain values are found to be high for BBFB:Nd3+ (0.5 wt%) glass. Hence, the results suggested that the present BBFB:Nd3+ (0.5 wt%) glass could be used as an efficient infrared laser source around 1.06 μm region.

  13. High-performance liquid chromatography determination of ketone bodies in human plasma by precolumn derivatization with p-nitrobenzene diazonium fluoroborate.

    PubMed

    Yamato, Susumu; Shinohara, Kumiko; Nakagawa, Saori; Kubota, Ai; Inamura, Katsushi; Watanabe, Gen; Hirayama, Satoshi; Miida, Takashi; Ohta, Shin

    2009-01-01

    We developed and validated a sensitive and convenient high-performance liquid chromatography (HPLC) method for the specific determination of ketone bodies (acetoacetate and D-3-hydroxybutyrate) in human plasma. p-Nitrobenzene diazonium fluoroborate (diazo reagent) was used as a precolumn derivatization agent, and 3-(2-hydroxyphenyl) propionic acid was used as an internal standard. After the reaction, excess diazo reagent and plasma proteins were removed by passing through a solid-phase cartridge (C(18)). The derivatives retained on the cartridge were eluted with methanol, introduced into the HPLC system, and then detected with UV at 380 nm. A calibration curve for acetoacetate standard solution with a 20-microl injection volume showed good linearity in the range of 1 to 400 microM with a 0.9997 correlation coefficient. For the determination of D-3-hydroxybutyrate, it was converted to acetoacetate before reaction with the diazo reagent by an enzymatic coupling method using D-3-hydroxybutyrate dehydrogenase and lactate dehydrogenase. A calibration curve for D-3-hydroxybutyrate standard solution also showed good linearity in the range of 1.5 to 2000 microM with a 0.9988 correlation coefficient. Analytical recoveries of acetoacetate and D-3-hydroxybutyrate in human plasma were satisfactory. The method was successfully applied to samples from diabetic patients, and results were consistent with those obtained using the thio-NAD enzymatic cycling method used in clinical laboratories.

  14. Optical properties of Nd3+ doped barium lithium fluoroborate glasses for near-infrared (NIR) emission

    NASA Astrophysics Data System (ADS)

    Mariselvam, K.; Arun Kumar, R.; Suresh, K.

    2018-04-01

    The neodymium doped barium lithium fluoroborate (Nd3+: BLFB) glasses with the chemical composition (70-x) H3BO3 - 10 Li2CO3 - 10 BaCO3- 5 CaF2-5 ZnO - x Nd2O3 (where x = 0.05, 0.1, 0.25, 0.5, 1, 2 in wt %) have been prepared by the conventional melt quenching technique and characterised through optical absorption, near infrared emission and decay-time measurements. The x-ray diffraction studies confirm the amorphous nature of the prepared glasses. The optical absorption spectra and emission spectra were recorded in the wavelength ranges of 190-1100 nm. The optical band gap (Eg) and Urbach energy (ΔE) values were calculated from the absorption spectra. The Judd-Ofelt intensity parameters were determined from the systematic analysis of the absorption spectrum of neodymium ions in the prepared glasses. The emission spectra exhibited three prominent peaks at 874, 1057, 1331 nm corresponding to the 4F3/2 → 4I9/2, 11/2, 13/2 transitions levels respectively in the near infrared region. The emission intensity of the 4F3/2 → 4I11/2 transition increases with the increase in neodymium concentration up to 0.5 wt% and the concentration quenching mechanism was observed for 1 wt% and 2 wt% concentrations. The lifetime of the 4F3/2 level was found to decrease with increasing Nd3+ ion concentration. The nature of energy transfer process was a single exponential curve which was studied for all the glasses and analysed.

  15. Hazard Assessment Computer System HACS/UIM Users’ Operation Manual. Volume II.

    DTIC Science & Technology

    1981-09-01

    AMMONIUM OXALATE FAS FERROUS AMMONIUM SULFATE FCL FERRIC CHLORIDE FCP FERRIC GLYCEROPHOSPHATE FEC FERROUS CHLORIDE FFA FURFURAL FFB FERROUS FLUOROBORATE...FAL FFA FFBi FMA FNS FSA FSL FXX BAK GAT SAY SCM GCR GCS SOC SOS SPL SRF GSR STA J-2 HAC HAI HAL HEIR HCC HCL HCN HDC HE’S HDZ HFA HFX HMD HMI HPA...ENP EOEI EOP EOT EPC ETA ETC ETD ETf3 ETI FAL FFA FFB FMA FMS VSL OCR GOS GIA MAC HAI HCL Ht’Z HFA HMD HMI HPA HPdkt HPO HSS HXG IAA IAC IAL IAN IBR

  16. Influence of CuO content on the structure of lithium fluoroborate glasses: Spectral and gamma irradiation studies.

    PubMed

    Abdelghany, A M; ElBatal, H A; EzzElDin, F M

    2015-10-05

    Glasses of lithium fluoroborate of the composition LiF 15%-B2O3 85% with increasing CuO as added dopant were prepared and characterized by combined optical and FTIR spectroscopy before and after gamma irradiation. The optical spectrum of the undoped glass reveals strong UV absorption with two distinct peaks at about 235 and 310 nm and with no visible bands. This strong UV absorption is related to the presence of unavoidable trace iron impurity (Fe(3+)) within the materials used for the preparation of this glass. After irradiation, the spectrum of the undoped glass shows a decrease of the intensity of the UV bands together with the resolution of an induced visible broad band centered at about 520 nm. The CuO doped glasses reveal the same UV absorption beside a very broad visible band centered at 780 nm and this band shows extension and splitting to several component peaks with higher CuO contents. Upon gamma irradiation, the spectra of all CuO-doped glasses reveal pronounced decrease of their intensities. The response of irradiation on the studied glasses is correlated with suggested photochemical reactions together with some shielding effect of the copper ions. The observed visible band is related to the presence of copper as distorted octahedral Cu(2+) ions. Infrared absorption spectra of the prepared glasses show repetitive characteristic triangular and tetrahedral borate units similar to that published from alkali or alkaline earth oxides B2O3 glasses. A suggested formation of (BO3/2F) tetrahedral units is advanced through action of LiF on B2O3 and these suggested units showing the same position and number as BO4 tetrahedra. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Solvation behaviour of L-leucine in aqueous ionic liquid at different temperatures: Volumetric approach

    NASA Astrophysics Data System (ADS)

    Sharma, Samriti; Sandarve, Sharma, Amit K.; Sharma, Meena

    2018-05-01

    For the investigation of interactions of L-leucine in aqueous solutions of an ionic liquid (1-butyl-3-methylimidazolium tetra fluoroborate [Bmim][BF4]) at atmospheric pressure over a temperature range of (293.15K to 313.16K), we use the volumetric approach. By using the density data we have calculated the apparent molar volume, VΦ, limiting apparent molar volume, V0Φ, the slope, Sv, partial molar volume of transfer, V0Φ,tr. The values of these acoustical parameters have been used for the interpretation of different interactions like hydrophilic-hydrophilic, hydrophilic-hydrophobic, ion hydrophilic, solute-solvent and solute-solute interactions in the amino acid and ionic liquid solutions.

  18. Photoluminescence characteristics of Eu2O3 doped calcium fluoroborate glasses

    NASA Astrophysics Data System (ADS)

    Krishnapuram, Pavani; Jakka, Suresh Kumar; Thummala, Chengaiah; Lalapeta, Rama Moorthy

    2012-11-01

    The present work reports the preparation and characterization of calcium fluoroborate (CFB) glasses doped with different concentrations of Eu2O3. The spectroscopic free-ion parameters are evaluated from the experimentally observed energy levels of Eu3+ ions in CFB glasses by using the free-ion Hamiltonian model (HFI). The phenomenological Judd-Ofelt (J-O) parameters, Ω2, Ω4 and Ω6, are evaluated from the intensities of Eu3+ ion absorption bands by various constraints. From these J-O parameters (Ωλ), the radiative parameters such as transition probabilities (AR), branching ratios (βR), stimulated emission cross sections (σe) and radiative lifetimes (τR) are evaluated for 5D→7(4fASO+αL(L+1)+βG(G2)+γG(R7)+∑j=0,2,4 Mjmj+∑k=2,4,6 PKpK where Eavg includes the kinetic energy of the electrons and their interaction with the nucleus. It shifts only the barycentre of the whole 4fN configuration. Fk (k = 2, 4, 6) are free electron repulsion parameters, ξ4f is the spin-orbit coupling constant, α, β and γ are the three interaction parameters, Mj (j = 0, 2, 4) and Pk (k = 2, 4, 6) are magnetic interaction parameters. Among all the interactions, Fk and ξ4f are the main ones which give rise to the 2LJ levels. The rest only make corrections in the energies of these levels without removing their degeneracy. The parametric fits have been carried out as has been done in our earlier work [16]. The quality of the parametric fit is generally described in terms of the root mean square (rms) deviation, σrms between the experimental and calculated energies by the relation σrms=√{{∑}/{i=1N(Eiexp-Eical)2N}} where Eiexp and Eical are the experimental and calculated energies, respectively, for level 'i' and N denotes the total number of levels included in the energy level fit.

  19. Highly efficient red-emitting BaMgBO3F:Eu3+,R+ (R: Li, Na, K, Rb) phosphor for near-UV excitation synthesized via glass precursor solid-state reaction

    NASA Astrophysics Data System (ADS)

    Shinozaki, Kenji; Akai, Tomoko

    2017-09-01

    Eu3+-doped fluoroborate crystals of BaMgBO3F were synthesized by a solid-state reaction using a glassy precursor material, and their photoluminescence (PL) was investigated. To compensate for the incorporation of Eu3+ into Ba2+ sites, samples codoped with alkali ions (Li+, Na+, K+, Rb+) were also prepared. The Eu3+-doped sample showed red PL with a quantum yield (QY) of 65% caused by near-UV excitation (λ = 393 nm), and PL intensity and QY increased with the codoping of Eu3+ and alkali ions. It was found that the Eu3+,Li+-codoped sample showed the highest PL intensity and a QY of 83%.

  20. Fluoride ion recognition by chelating and cationic boranes.

    PubMed

    Hudnall, Todd W; Chiu, Ching-Wen; Gabbaï, François P

    2009-02-17

    Because of the ubiquity of fluoride ions and their potential toxicity at high doses, researchers would like to design receptors that selectively detect this anion. Fluoride is found in drinking water, toothpaste, and osteoporosis drugs. In addition, fluoride ions also can be detected as an indicator of uranium enrichment (via hydrolysis of UF(6)) or of the chemical warfare agent sarin, which releases the ion upon hydrolysis. However, because of its high hydration enthalpy, the fluoride anion is one of the most challenging targets for anion recognition. Among the various recognition strategies that are available, researchers have focused a great deal of attention on Lewis acidic boron compounds. These molecules typically interact with fluoride anions to form the corresponding fluoroborate species. In the case of simple triarylboranes, the fluoroborates are formed in organic solvents but not in water. To overcome this limitation, this Account examines various methods we have pursued to increase the fluoride-binding properties of boron-based receptors. We first considered the use of bifunctional boranes, which chelate the fluoride anion, such as 1,8-diborylnaphthalenes or heteronuclear 1-boryl-8-mercurio-naphthalenes. In these molecules, the neighboring Lewis acidic atoms can cooperatively interact with the anionic guest. Although the fluoride binding constants of the bifunctional compounds exceed those of neutral monofunctional boranes by several orders of magnitude, the incompatibility of these systems with aqueous media limits their utility. More recently, we have examined simple triarylboranes whose ligands are decorated by cationic ammonium or phosphonium groups. These cationic groups increase the electrophilic character of these boranes, and unlike their neutral analogs, they are able to complex fluoride in aqueous media. We have also considered cationic boranes, which form chelate complexes with fluoride anions. Our work demonstrates that Coulombic and chelate effects are additive and can be combined to boost the anion affinity of Lewis acidic hosts. The boron compounds that we have investigated present a set of photophysical and electrochemical properties that can serve to signal the fluoride-binding event. We can also apply this approach to cyanide complexation and are continuing our investigations in that area.

  1. Regeneration of strong-base anion-exchange resins by sequential chemical displacement

    DOEpatents

    Brown, Gilbert M.; Gu, Baohua; Moyer, Bruce A.; Bonnesen, Peter V.

    2002-01-01

    A method for regenerating strong-base anion exchange resins utilizing a sequential chemical displacement technique with new regenerant formulation. The new first regenerant solution is composed of a mixture of ferric chloride, a water-miscible organic solvent, hydrochloric acid, and water in which tetrachloroferrate anion is formed and used to displace the target anions on the resin. The second regenerant is composed of a dilute hydrochloric acid and is used to decompose tetrachloroferrate and elute ferric ions, thereby regenerating the resin. Alternative chemical displacement methods include: (1) displacement of target anions with fluoroborate followed by nitrate or salicylate and (2) displacement of target anions with salicylate followed by dilute hydrochloric acid. The methodology offers an improved regeneration efficiency, recovery, and waste minimization over the conventional displacement technique using sodium chloride (or a brine) or alkali metal hydroxide.

  2. Polyfluorinated boron cluster based salts: A new electrolyte for application in nonaqueous asymmetric AC/Li 4Ti 5O 12 supercapacitors

    NASA Astrophysics Data System (ADS)

    Ionica-Bousquet, C. M.; Muñoz-Rojas, D.; Casteel, W. J.; Pearlstein, R. M.; Kumar, G. Girish; Pez, G. P.; Palacín, M. R.

    Solutions of novel fluorinated lithium dodecaborate (Li 2B 12F xH 12- x) salts have been evaluated as electrolytes in nonaqueous asymmetric supercapacitors with Li 4Ti 5O 12 as negative electrode, and activated carbon (AC) as positive electrode. The results obtained with these new electrolytes were compared with those obtained with cells built using standard 1 M LiPF 6 dissolved in ethylene carbonate and dimethyl carbonate (EC:DMC; 1:1, v/v) as electrolyte. The specific energy, rate capability, and cycling performances of nonaqueous asymmetric cells based on these new electrolyte salts were studied. Cells assembled using the new fluoroborate salts show excellent reversibility, coulombic efficiency, rate capability and improved cyclability when compared with the standard electrolyte. These features confirm the suitability of lithium-fluoro-borate based salts to be used in nonaqueous asymmetric supercapacitors.

  3. [The occurrence of Fusarium varieties and their mycotoxins on silo corn. 1. A method for the determination of zearalenone in corn and corn silage by high performance liquid chromatography (HPLC) with fluorescence detection].

    PubMed

    Lepom, P

    1988-09-01

    A method for the determination of zearalenone in maize and maize silage was developed which distinguishes itself by the effective and fast cleaning of the extracts with the help of a silica gel minicolumn. The samples were extracted with chloroform/methanol (9 + 1) and cleaned on a silica gel minicolumn after acid-base partition. The zearalenone was quantitatively determined optionally by means of high-performance liquid chromatography (HPLC) with fluorescence detection (excitation wavelength 236 nm, emission filter 418 nm) or thin-layer chromatography (TLC), p-methoxybenzene diazonium fluoroborate and aluminium chloride were used as detection chemicals. The limits of detection are 0.01 mg/kg (HPLC) and 0.1 mg/kg resp. (TLC), the average recovery is 81%. The method was used for the determination of zearalenone in grain maize, CCM silage and silage from whole maize plants.

  4. 4,6-Diaryl/heteroarylpyrimidin-2(1H)-ones as a new class of xanthine oxidase inhibitors.

    PubMed

    Shukla, Shiwani; Kumar, Dinesh; Ojha, Ritu; Gupta, Manish K; Nepali, Kunal; Bedi, Preet M S

    2014-07-01

    A series of 4,6-diaryl/heteroarylpyrimidones was synthesized employing silica-supported fluoroboric acid under solvent-free conditions in a microwave reactor. The catalytic influence of HBF4-SiO2 was investigated in detail to optimize the reaction conditions. The synthesized compounds were evaluated for in vitro xanthine oxidase (XO) inhibitory activity for the first time. Structure-activity relationship analyses are also presented. Among the synthesized compounds, VA-5, -9, -10, -12, -22, -23, and -25 were the active inhibitors with IC50 values ranging from 6.45 to 13.46 µM. Compound VA-25 with a pyridinyl ring as ring A and a thiophenyl ring as ring B emerged as the most potent XO inhibitor (IC50 = 6.45 µM) in comparison to allopurinol (IC50 = 12.24 µM). Some of the important interactions of VA-25 with the amino acid residues of the active site of XO were figured out by molecular modeling studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Leaching Studies for Copper and Solder Alloy Recovery from Shredded Particles of Waste Printed Circuit Boards

    NASA Astrophysics Data System (ADS)

    Kavousi, Maryam; Sattari, Anahita; Alamdari, Eskandar Keshavarz; Fatmehsari, Davoud Haghshenas

    2018-03-01

    Printed circuit boards (PCBs) comprise various metals such as Cu, Sn, and Pb, as well as platinum group metals. The recovery of metals from PCBs is important not only due to the waste treatment but also for recycling of valuable metals. In the present work, the leaching process of Cu, Sn, and Pb from PCBs was studied using fluoroboric acid and hydrogen peroxide as the leaching agent and oxidant, respectively. Pertinent factors including concentration of acid, temperature, liquid-solid ratio, and concentration of oxidizing agent were evaluated. The results showed 99 pct of copper and 90 pct solder alloy were dissolved at a temperature of 298 K (25 °C) for 180 minutes using 0.6 M HBF4 for the particle size range of 0.15 to 0.4 mm. Moreover, solid/liquid ratio had insignificant effect on the recovery of metals. Kinetics analysis revealed that the chemical control regime governs the process with activation energy 41.25 and 38.9 kJ/mol for copper and lead leaching reactions, respectively.

  6. Leaching Studies for Copper and Solder Alloy Recovery from Shredded Particles of Waste Printed Circuit Boards

    NASA Astrophysics Data System (ADS)

    Kavousi, Maryam; Sattari, Anahita; Alamdari, Eskandar Keshavarz; Fatmehsari, Davoud Haghshenas

    2018-06-01

    Printed circuit boards (PCBs) comprise various metals such as Cu, Sn, and Pb, as well as platinum group metals. The recovery of metals from PCBs is important not only due to the waste treatment but also for recycling of valuable metals. In the present work, the leaching process of Cu, Sn, and Pb from PCBs was studied using fluoroboric acid and hydrogen peroxide as the leaching agent and oxidant, respectively. Pertinent factors including concentration of acid, temperature, liquid-solid ratio, and concentration of oxidizing agent were evaluated. The results showed 99 pct of copper and 90 pct solder alloy were dissolved at a temperature of 298 K (25 °C) for 180 minutes using 0.6 M HBF4 for the particle size range of 0.15 to 0.4 mm. Moreover, solid/liquid ratio had insignificant effect on the recovery of metals. Kinetics analysis revealed that the chemical control regime governs the process with activation energy 41.25 and 38.9 kJ/mol for copper and lead leaching reactions, respectively.

  7. Taking Up the Cyanine Challenge with Quantum Tools

    PubMed Central

    2015-01-01

    Conspectus Cyanine derivatives, named from the Greek word kyanos meaning dark-blue, were discovered more than 150 years ago and remain one of the most widely used classes of organic dyes with contemporary applications in photography (panchromatic emulsions), information storage (CD-R and DVD-R media) and biochemistry (DNA and protein labeling) fields. Cyanine chromogens consist of a charged π-conjugated segment containing an odd number of sp2 carbon atoms with the chain capped at the extremities by two electronegative centers, typically nitrogen or oxygen atoms. Cyanines are characterized by a vanishing bond length alternation indicating nearly equal carbon–carbon bond lengths, as well as a very intense and sharp absorption band presenting a shoulder. This hallmark band undergoes a strong red shift when the chain is extended. This so-called vinyl shift is extremely large (ca. 100 nm for each pair of carbon atoms added in the π-conjugated path), making cyanines ideal building blocks for the design of devices with near-infrared applications. Numerous cyanines also exhibit emission bands with large quantum yields. These exceptional optical properties explain why both canonical cyanines and the corresponding fluoroborates (e.g., boron-dipyrromethene, BODIPY) remain the focus of an ever-growing body of experimental work. In turn, this popularity has stimulated quantum mechanical investigations aiming, on the one hand, at probing the specific electronic nature of cyanine dyes and, on the other hand, at helping to design new dyes. However, the adiabatic approximation to time-dependent density functional theory, the most widespread ab initio model for electronically excited states, fails to accurately reproduce the absorption spectra of cyanine derivatives: it yields a systematic and large underestimation of the experimental wavelengths irrespective of the details of the computational protocol. In contrast, highly correlated wave function approaches provide accurate transition energies for model systems but are hardly applicable to real-life cyanines and BODIPY. This indicates that setting up a computationally tractable theoretical protocol that provides both robust and accurate optical spectra for cyanine-based dyes is a major challenge that has only been taken up lately. In this Account, we compile the most recent advances in the field by considering both compact streptocyanines and large fluoroborates. For the former, we summarize the key results obtained with a large panel of theoretical approaches, allowing us not only to understand the origin of the cyanine challenge but also to pinpoint the schemes presenting the most promising accuracy/effort ratio. For the latter, we show via selected examples how theoretical models can be used to reproduce simultaneously experimental band shapes and transition energies, thus paving the way to an efficient in silico design of new compounds. PMID:25710687

  8. Selective separation of copper over solder alloy from waste printed circuit boards leach solution.

    PubMed

    Kavousi, Maryam; Sattari, Anahita; Alamdari, Eskandar Keshavarz; Firozi, Sadegh

    2017-02-01

    The printed circuit boards (PCBs) from electronic waste are important resource, since the PCBs contain precious metals such as gold, copper, tin, silver, platinum and so forth. In addition to the economic point of view, the presence of lead turns this scrap into dangerous to environment. This study was conducted as part of the development of a novel process for selective recovery of copper over tin and lead from printed circuit boards by HBF 4 leaching. In previous study, Copper with solder alloy was associated, simultaneously were leached in HBF 4 solution using hydrogen peroxide as an oxidant at room temperature. The objective of this study is the separation of copper from tin and lead from Fluoroborate media using CP-150 as an extractant. The influence of organic solvent's concentration, pH, temperature and A/O phase ratio was investigated. The possible extraction mechanism and the composition of the extracted species have been determined. The separation factors for these metals using this agent are reported, while efficient methods for separation of Cu (II) from other metal ions are proposed. The treatment of leach liquor for solvent extraction of copper with CP-150 revealed that 20% CP-150 in kerosene, a 30min period of contact time, and a pH of 3 were sufficient for the extraction of Cu(II) and 99.99% copper was recovered from the leached solution. Copyright © 2016. Published by Elsevier Ltd.

  9. Tuning the Composition of Electrodeposited Bimetallic Tin-Lead Catalysts for Enhanced Activity and Durability in Carbon Dioxide Electroreduction to Formate.

    PubMed

    Moore, Colin E; Gyenge, Előd L

    2017-09-11

    Bimetallic Sn-Pb catalysts with five different Sn/Pb atomic ratios were electrodeposited on Teflonated carbon paper and non-Teflonated carbon cloth using both fluoroborate- and oxide-containing deposition media to produce catalysts for the electrochemical reduction of CO 2 (ERC) to formate (HCOO - ). The interaction between catalyst composition, morphology, substrate, and deposition media was investigated by using cyclic voltammetry and constant potential electrolysis at -2.0 V versus Ag/AgCl for 2 h in 0.5 m KHCO 3 . The catalysts were analyzed before and after electrolysis by using SEM and XRD to determine the mechanisms of Faradaic efficiency loss and degradation. Catalysts that are mainly Sn with 15-35 at % Pb generated Faradaic efficiencies up to 95 % with a stable performance. However, pure Sn catalysts showed high initial stage formate production rates but experienced an extensive (up to 30 %) decrease of the Faradaic efficiency. The XRD results demonstrated the presence of polycrystalline SnO 2 after electrolysis using Sn-Pb catalysts with 35 at % Pb and its absence in the case of pure Sn. It is proposed that the presence of Pb (15-35 at %) in mainly Sn catalysts stabilized SnO 2 , which is responsible for the enhanced Faradaic efficiency and catalytic durability in the ERC. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Ammonium boranes for the selective complexation of cyanide or fluoride ions in water.

    PubMed

    Hudnall, Todd W; Gabbaï, François P

    2007-10-03

    With the recognition of aqueous fluoride and cyanide ions as an objective, we have investigated the anion binding properties of two isomeric ammonium boranes, namely [p-(Mes2B)C6H4(NMe3)]+ ([1]+) and [o-(Mes2B)C6H4(NMe3)]+ ([2]+). These cationic boranes, which could be obtained by reaction of the known 4- and 2-dimesitylboryl-N,N-dimethylaniline with MeOTf, have been investigated both experimentally and computationally. They both react with fluoride and cyanide ions in organic solvents to afford the corresponding fluoroborate/ or cyanoborate/ammonium zwitterions 1F, 1CN, 2F, and 2CN. In aqueous solution, however, these cationic boranes behave as remarkably selective receptors. Indeed, [1]+ only complexes cyanide ions while [2]+ only complexes fluoride ions. In H2O/DMSO 60:40 vol (HEPES 6 mM, pH 7), the cyanide binding constant of [1]+ and the fluoride binding constant of [2]+ are respectively equal to 3.9 (+/-0.1) x 108 and 910 (+/-50) M-1. Structural and computational studies indicate that both steric and electronic effects contribute to the unusual selectivity displayed by these cationic boranes. Owing to favorable Coulombic effects, the para-derivative [1]+ has a very high affinity for cyanide; yet these effects are not sufficiently intense to allow complexation of the more efficiently hydrated and less basic fluoride anion. In the case of the ortho-derivative [2]+, the proximity of the ammonium moiety leads to an increase in the Lewis acidity of the boron center thus making fluoride binding possible. However, steric effects prevent cyanide coordination to the boron center of [2]+. Finally, cation [1]+ and [2]+ bind their dedicated anions reversibly and show a negligible response in the presence of other common anions including Cl-, Br-, I-, NO3-, OAc-, H2PO4-, and HSO4-.

  11. Mechanism of dissolution of a lithium salt in an electrolytic solvent in a lithium ion secondary battery: a direct ab initio molecular dynamics (AIMD) study.

    PubMed

    Tachikawa, Hiroto

    2014-06-06

    The mechanism of dissolution of the Li(+) ion in an electrolytic solvent is investigated by the direct ab initio molecular dynamics (AIMD) method. Lithium fluoroborate (Li(+)BF4(-)) and ethylene carbonate (EC) are examined as the origin of the Li(+) ion and the solvent molecule, respectively. This salt is widely utilized as the electrolyte in the lithium ion secondary battery. The binding of EC to the Li(+) moiety of the Li(+)BF4(-) salt is exothermic, and the binding energies at the CAM-B3LYP/6-311++G(d,p) level for n=1, 2, 3, and 4, where n is the number of EC molecules binding to the Li(+) ion, (EC)n(Li(+)BF4(-)), are calculated to be 91.5, 89.8, 87.2, and 84.0 kcal mol(-1) (per EC molecule), respectively. The intermolecular distances between Li(+) and the F atom of BF4(-) are elongated: 1.773 Å (n=0), 1.820 Å (n=1), 1.974 Å (n=2), 1.942 Å (n=3), and 4.156 Å (n=4). The atomic bond populations between Li(+) and the F atom for n=0, 1, 2, 3, and 4 are 0.202, 0.186, 0.150, 0.038, and 0.0, respectively. These results indicate that the interaction of Li(+) with BF4(-) becomes weaker as the number of EC molecules is increased. The direct AIMD calculation for n=4 shows that EC reacts spontaneously with (EC)3(Li(+)BF4(-)) and the Li(+) ion is stripped from the salt. The following substitution reaction takes place: EC+(EC)3(Li(+)BF4(-))→(EC)4Li(+)-(BF4(-)). The reaction mechanism is discussed on the basis of the theoretical results. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples.

    PubMed

    Bednarska, Joanna; Zaleśny, Robert; Bartkowiak, Wojciech; Ośmiałowski, Borys; Medved', Miroslav; Jacquemin, Denis

    2017-09-12

    This article aims at a quantitative assessment of the performances of a panel of exchange-correlation functionals, including semilocal (BLYP and PBE), global hybrids (B3LYP, PBE0, M06, BHandHLYP, M06-2X, and M06-HF), and range-separated hybrids (CAM-B3LYP, LC-ωPBE, LC-BLYP, ωB97X, and ωB97X-D), in predicting the vibrationally resolved absorption spectra of BF 2 -carrying compounds. To this end, for 19 difluoroborates as examples, we use, as a metric, the vibrational reorganization energy (λ vib ) that can be determined based on the computationally efficient linear coupling model (a.k.a. vertical gradient method). The reference values of λ vib were determined by employing the CC2 method combined with the cc-pVTZ basis set for a representative subset of molecules. To validate the performances of CC2, comparisons with experimental data have been carried out as well. This study shows that the vibrational reorganization energy, involving Huang-Rhys factors and normal-mode frequencies, can indeed be used to quantify the reliability of functionals in the calculations of the vibrational fine structure of absorption bands, i.e., an accurate prediction of the vibrational reorganization energy leads to absorption band shapes better fitting the selected reference. The CAM-B3LYP, M06-2X, ωB97X-D, ωB97X, and BHandHLYP functionals all deliver vibrational reorganization energies with absolute relative errors smaller than 20% compared to CC2, whereas 10% accuracy can be achieved with the first three functionals. Indeed, the set of examined exchange-correlation functionals can be divided into three groups: (i) BLYP, B3LYP, PBE, PBE0, and M06 yield inaccurate band shapes (λ vib,TDDFT < λ vib,CC2 ), (ii) BHandHLYP, CAM-B3LYP, M06-2X, ωB97X, and ωB97X-D provide accurate band shapes (λ vib,TDDFT ≈ λ vib,CC2 ), and (iii) LC-ωPBE, LC-BLYP, and M06-HF deliver rather poor band topologies (λ vib,TDDFT > λ vib,CC2 ). This study also demonstrates that λ vib can be reliably estimated using the CC2 model and the relatively small cc-pVDZ basis set. Therefore, the linear coupling model combined with the CC2/cc-pVDZ level of theory can be used as a very efficient approach to determine λ vib values that can be used to select the most adequate functional for more accurate vibronic calculations, e.g., including more refined models and environmental effects.

  13. Interfacial characteristics of propylene carbonate and validation of simulation models for electrochemical applications

    NASA Astrophysics Data System (ADS)

    You, Xinli

    Supercapacitors have occupy an indispensable role in today's energy storage systems due to their high power density and long life. The introduction of car- bon nanotube (CNT) forests as electrode offers the possibility of nano-scale design and high capacitance. We have performed molecular dynamics simulations on a CNT forest-based electrochemical double-layer capacitor (EDLC) and a widely used electrolyte solution (tetra-ethylammonium tetra-fluoroborate in propylene carbonate, TEABF4 /PC). We compare corresponding primitive model and atomically detailed model of TEABF4 /P, emphasizing the significance of ion clustering in electrolytes. The molecular dynamic simulation results suggests that the arrangement of closest neigh- bors leads to the formation of cation-anion chains or rings. Fuoss's discussion of ion-pairing model provides the approximation for a primitive model of 1-1 electrolyte is not broadly satisfactory for both primitive and atomically detailed cases. A more general Poisson statistical assumption is shown to be satisfactory when coordina- tion numbers are low, as is likely to be the case when ion-pairing initiates. We examined the Poisson-based model over a range of concentrations for both models of TEABF4 /P, and the atomically detailed model results identified solvent-separated nearest-neighbor ion-pairs. Large surface areas plays an essential role in nanomaterial properties, which calls for an accurate description of interfaces through modeling. We studied propylene carbonate, a widely used solvent in EDLC systems. PC wets graphite with a contact angle of 31°. The MD simulation model reproduced this contact angle after reduction 40% of the strength of graphite-C atom Lennard-Jones interactions with the solvent. The critical temperature of PC was accurately evaluated by extrapolating the PC liquid-vapor surface tensions. PC molecules tend to lie flat on the PC liquid-vapor surface, and project the propyl carbon toward the vapor phase. Liquid PC simulations also provide basic data for construction of accurate information to assist in device- level modeling of EDLCs. The most serious uncertainty with previous simulations of CNT based EDLCs was definition of the actual composition of the pores. Therefore, direct simulations of filling of CNT forest based electrochemical double-layer capacitors with TEABF4 /P solution was performed. Those calculation characterize the charging and discharg- ing process, including rates of charging responses, the possibility of bubble forma- tion, and kinetic properties with confinement. The mobilities of ions and solvent was investigated through mean square displacement (MSD) and velocity autocorrela- tion functions (VACF). The memory kernel was extracted from VACF by discretized linear-equation solving and a specialized Fourier transform method, results implies the existence of dielectric friction. With the interest in chemical features of EDLCs, a multi-scale theory was de- veloped to embed high resolution ab initio molecular dynamics (AIMD) methods into studies of EDLCs. This theory was based on McMillan-Mayer theory, potential dis- tribution approach, and quasi-chemical theory. The quasi-chemical theory allow us to break-up the free energies into packing, outer-shell and chemical contributions, where the last part can be done by AIMD directly. For the primitive model of TEABF4 /P, Gaussian statistical models are effective for these outer-shell contributions. And the Gaussian approximation is more efficient than the Bennett method in achieving an accurate mean activity coefficient.

  14. New Class of Flow Batteries for Terrestrial and Aerospace Energy Storage Applications

    NASA Technical Reports Server (NTRS)

    Bugga, Ratnakumar V.; West, William C.; Kindler, Andrew; Smart, Marshall C.

    2013-01-01

    Future sustainable energy generation technologies such as photovoltaic and wind farms require advanced energy storage systems on a massive scale to make the alternate (green) energy options practical. The daunting requirements of such large-scale energy systems such as long operating and cycle life, safety, and low cost are not adequately met by state-of-the-art energy storage technologies such as vanadium flow cells, lead-acid, and zinc-bromine batteries. Much attention is being paid to redox batteries specifically to the vanadium redox battery (VRB) due to their simplicity, low cost, and good life characteristics compared to other related battery technologies. NASA is currently seeking high-specific- energy and long-cycle-life rechargeable batteries in the 10-to-100-kW range to support future human exploration missions, such as planetary habitats, human rovers, etc. The flow batteries described above are excellent candidates for these applications, as well as other applications that propose to use regenerative fuel cells. A new flow cell technology is proposed based on coupling two novel electrodes in the form of solvated electron systems (SES) between an alkali (or alkaline earth) metal and poly aromatic hydrocarbons (PAH), separated by an ionically conducting separator. The cell reaction involves the formation of such SES with a PAH of high voltage in the cathode, while the alkali (or alkaline earth metal) is reduced from such an MPAH complex in the anode half-cell. During recharge, the reactions are reversed in both electrodes. In other words, the alkali (alkaline earth) metal ion simply shuttles from one M-PAH complex (SES) to another, which are separated by a metal-ion conducting solid or polymer electrolyte separator. As an example, the concept was demonstrated with Li-naphthalene//Li DDQ (DDQ is 2,3-Dichloro-5,6-dicyano- 1,4-benzoquinone) separated by lithium super ion conductor, either ceramic or polymer (solid polymer or gel polymer) electrolytes. The reactants are Li-naphthalene dissolved in tetrahydrofuran (THF) with a lithium salt of 1M LiBF4 (lithium tetra fluoroborate) in the anode compartment, and DDQ again dissolved in THF and also containing 1M LiBF4 salt in the cathode half-cell. The solid electrolyte separator used in the first set of experiments is a ceramic solid electrolyte, available from a commercial source. The open circuit voltage of the cells is close to 3.0 V, as expected from the individual half-cell voltages of Li-naphthalene and Li-DDQ. Upon discharge, the cell shows steady discharge voltage of 2.7 V, which confirms that the electrochemical processes do involve lithium ion shuttling from the anodic compartment to the cathode half-cell. The reversibility or rechargeability is demonstrated by charging the partially discharged cells (i.e., with lithium present in the DDQ half). Once again, a steady voltage close to 3.0 V was observed during charge, indicating that the system is quite reversible. In the subsequent concept-demonstration studies, the ceramic electrolyte has been replaced with a gel polymer electrolyte, e.g., PVDF-HFP (poly vinylene difluoride hexafluoropropene) gel, which has several advantages such as high ionic conductivity (almost comparable to liquid electrolyte and about 2 orders of magnitude better than the ceramic equivalent), lower cost, and possibly higher chemical stability at the anode. In addition, it can be bonded to the electrode by thermal fusion to form membrane electrode assemblies (MEAs), as is done in fuel cells.

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