Sample records for electron donating properties

  1. Effects of Alkylthio and Alkoxy Side Chains in Polymer Donor Materials for Organic Solar Cells.

    PubMed

    Cui, Chaohua; Wong, Wai-Yeung

    2016-02-01

    Side chains play a considerable role not only in improving the solubility of polymers for solution-processed device fabrication, but also in affecting the molecular packing, electron affinity and thus the device performance. In particular, electron-donating side chains show unique properties when employed to tune the electronic character of conjugated polymers in many cases. Therefore, rational electron-donating side chain engineering can improve the photovoltaic properties of the resulting polymer donors to some extent. Here, a survey of some representative examples which use electron-donating alkylthio and alkoxy side chains in conjugated organic polymers for polymer solar cell applications will be presented. It is envisioned that an analysis of the effect of such electron-donating side chains in polymer donors would contribute to a better understanding of this kind of side chain behavior in solution-processed conjugated organic polymers for polymer solar cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. A theoretical study of structural, opto-electronic and nonlinear properties of arylboroxine derivatives

    NASA Astrophysics Data System (ADS)

    Islam, Nasarul; Pandith, Altaf Hussain

    2018-01-01

    Density functional theory at CAM-B3LYP/6-311G++ (2d, 2p) level was employed to study the Triphenylboroxine derivatives ( TB) containing electron donating and electron substituents, for their charge transfer and nonlinear optical properties. The results reveal that electron donating groups facilitate the rapid electron injection as compared to unsubstituted TB. It was observed that upon substitution with electron donating groups, the TB derivatives show an increased double bond character in the B3-C18 bond indicating an increase in the degree of conjugation. The Frontier molecular orbital studies indicate that highest occupied molecular orbitals of the neutral molecules delocalize primarily over the three phenyl rings and bridging oxygen atoms, whereas the lowest unoccupied molecular orbitals localize largely on the two phenyl rings and the boron atoms. Further, the TD-DFT studies indicate that the maximum absorption band results from the electron transitions from the initial states that are contributed by the HOMO and HOMO-1 to the final states that are mainly contributed by the LUMOs. In addition, we have observed that the introduction of electron donating group to the TB-7 leads to more active nonlinear performance.

  3. Unravelling the structural-electronic impact of arylamine electron-donating antennas on the performances of efficient ruthenium sensitizers for dye-sensitized solar cells

    NASA Astrophysics Data System (ADS)

    Chen, Wang-Chao; Kong, Fan-Tai; Ghadari, Rahim; Li, Zhao-Qian; Guo, Fu-Ling; Liu, Xue-Peng; Huang, Yang; Yu, Ting; Hayat, Tasawar; Dai, Song-Yuan

    2017-04-01

    We report a systematic research to understand the structural-electronic impact of the arylamine electron-donating antennas on the performances of the ruthenium complexes for dye-sensitized solar cells. Three ruthenium complexes functionalized with different arylamine electron-donating antennas (N,N-diethyl-aniline in RC-31, julolidine in RC-32 and N,N-dibenzyl-aniline in RC-36) are designed and synthesized. The photoelectric properties of RC dyes exhibit apparent discrepancy, which are ascribed to different structural nature and electronic delocalization ability of these arylamine electron-donating system. In conjunction with TiO2 microspheres photoanode and a typical coadsorbent DPA, the devices sensitized by RC-36 achieve the best conversion efficiency of 10.23%. The UV-Vis absorption, electrochemical measurement, incident photon-to-current conversion efficiency and transient absorption spectra confirm that the excellent performance of RC-36 is induced by synergistically structural-electronic impacts from enhanced absorption capacity and well-tuned electronic characteristics. These observations provide valuable insights into the molecular engineering methodology based on fine tuning structural-electronic impact of electron-donating antenna in efficient ruthenium sensitizers.

  4. Tuning the structural and electronic properties of novel thiophene-pyrrole based 1,2,3,4-tetrazine

    NASA Astrophysics Data System (ADS)

    Dutta, Rakesh; Kalita, Dhruba Jyoti

    2017-04-01

    Here, we have studied the structural and optoelectronic behaviour of a series of conjugated heterocyclic polymers. The basic monomer unit of the conjugated polymers contains a backbone of novel thiophene and pyrrole based 1,2,3,4-tetrazine. The other oligomers are designed by substituting the basic monomer unit with different electron-donating and electron-withdrawing groups at the nitrogen and the 3rd C-atom of the pyrrole and the thiophene ring respectively. We have calculated dihedral angles, HOMO-LUMO gaps, excitation energies and oscillator strengths by employing TD-DFT method. Our study reveals that compounds having bulky substituents exhibit larger dihedral angles. This in turn renders an increase in the band gaps (ΔH - L). Presence of the electron-withdrawing substituents also increases the ΔH - L values of the oligomers. However, the electron-donating groups decrease the ΔH - L values of the oligomers. Therefore, small electron-donating substituents have an overwhelming effect on the optoelectronic properties of the conjugated polymers which in turn makes them interesting materials with good conduction properties for fabrication of optoelectronic devices such as OLEDs, OFETs and solar cells.

  5. Synthesis and Photoluminescent Properties of Arylethynyl substituted 9,10-Anthraquinones

    NASA Technical Reports Server (NTRS)

    Yang, Jin-Hua; Dass, Amala; Sotiriou-Leventis, Chariklia; Leventis, Nicholas

    2003-01-01

    A series of arylethynyl substituted anthraquinones were synthesized via Sonogashira coupling reactions of 2,7- dibromo-, 2,6-dibromo- and 2-bromoanthraquinone with para-substituted phenylacetylenes. While the redox properties of those compounds are almost insensitive to substitution, their absorption maxima are linearly related to the Hammett constants for electron donating and electron withdrawing groups separately. All compounds are photoluminescent both in solution (quantum yield of emission approximately 2%) and as solids. X-ray crystallographic characterization of 2,7-bisphenylethynyl anthraquinone indicates a monoclinic p2(l/n) space group and no indication for pi-overlap that would promote self-quenching. The emission maxima are red- shifted by both electron donating and electron withdrawing groups alike. The Stokes shifts of all compounds are significant and are correlated to the electronic properties of the substituents. The reduced forms of these compounds are also photoluminescent and the emission originates from the dihydroanthraquinone core.

  6. A theoretical study for electronic and transport properties of covalent functionalized MoS2 monolayer

    NASA Astrophysics Data System (ADS)

    Gao, Lijuan; Yang, Zhao-Di; Zhang, Guiling

    2017-06-01

    The geometries, electronic and electron transport properties of a series of functionalized MoS2 monolayers were investigated using density-functional theory (DFT) and the non-equilibrium Green's function (NEGF) methods. n-Propyl, n-trisilicyl, phenyl, p-nitrophenyl and p-methoxyphenyl are chosen as electron-donating groups. The results show covalent functionalization with electron-donating groups could make a transformation from typical semiconducting to metallic properties for appearance of midgap level across the Fermi level (Ef). The calculations of transport properties for two-probe devices indicate that conductivities of functionalized systems are obviously enhanced relative to pristine MoS2 monolayer. Grafted groups contribute to the major transport path and play an important role in enhancing conductivity. The NDR effect is found. The influence of grafted density is also studied. Larger grafted density leads to wider bandwidth of midgap level, larger current response of I-V curves and larger current difference between peak and valley.

  7. IR and TPD studies of the interaction of alkenes with Cu + sites in CuNaY and CuNaX zeolites of various Cu content. The heterogeneity of Cu + sites

    NASA Astrophysics Data System (ADS)

    Datka, J.; Kukulska-Zajaç, E.; Kozyra, P.

    2006-08-01

    Cu + ions in zeolites activate organic molecules containing π electrons by π back donation, which results in a distinct weakening of multiple bonds. In this study, we followed the activation of alkenes (ethene and propene) by Cu + ions in CuY and CuX zeolites of various Cu content. We also studied the strength of bonding of alkenes to Cu + ions. IR studies have shown that there are two kinds of Cu + sites of various electron donor properties. We suppose that they could be attributed to the presence of Cu + ions of various number of oxygen atoms surrounding the cation. IR studies have shown that Cu ions introduced into Y and X zeolites in the first-order (at low Cu content) form Cu + ions of stronger electron donor properties (i.e. activate alkenes to larger extend) than Cu ions introduced in the next order (at higher Cu content). IR and TPD studies of alkenes desorption evidenced that Cu + ions of stronger electron donor properties bond alkenes stronger than less electron donor ones. It suggests that π back donation has more important contribution to the strength of bonding alkenes to cation than π donation.

  8. Opto-electronic conversion logic behaviour through dynamic modulation of electron/energy transfer states at the TiO2-carbon quantum dot interface.

    PubMed

    Wang, Fang; Zhang, Yonglai; Liu, Yang; Wang, Xuefeng; Shen, Mingrong; Lee, Shuit-Tong; Kang, Zhenhui

    2013-03-07

    Here we show a bias-mediated electron/energy transfer process at the CQDs-TiO(2) interface for the dynamic modulation of opto-electronic properties. Different energy and electron transfer states have been observed in the CQDs-TNTs system due to the up-conversion photoluminescence and the electron donation/acceptance properties of the CQDs decorated on TNTs.

  9. Electron transfer properties of peat organic matter: from electrochemical analysis to redox processes in peatlands

    NASA Astrophysics Data System (ADS)

    Sander, Michael; Getzinger, Gordon; Walpen, Nicolas

    2017-04-01

    Peat organic matter contains redox-active functional groups that can accept and/or donate electrons from and to biotic and abiotic reaction partners present in peatlands. Several studies have provided evidence that electron accepting quinone moieties in the peat organic matter may act as terminal electron acceptors for anaerobic microbial respiration. This respiration pathway may competitively suppress methanogenesis and thereby lead to excess carbon dioxide to methane formation in peatlands. Electron donating phenolic moieties in peat organic matter have long been considered to inhibit microbial and enzymatic activities in peatlands, thereby contributing to carbon stabilization and accumulation in these systems. Phenols are expected to be comparatively stable in anoxic parts of the peats as phenoloxidases, a class of enzymes capable of oxidatively degrading phenols, require molecular oxygen as co-substrate. Despite the general recognition of the importance of redox-active moieties in peat organic matter, the abundance, redox properties and reactivities of these moieties remain poorly studied and understood, in large part due to analytical challenges. This contribution will, in a first part, summarize recent advances in our research group on the analytical chemistry of redox-active moieties in peat organic matter. We will show how mediated electrochemical analysis can be used to quantify the capacities of electron accepting and donating moieties in both dissolved and particulate peat organic matter. We will link these capacities to the physicochemical properties of peat organic matter and provide evidence for quinones and phenols as major electron accepting and donating moieties, respectively. The second part of this contribution will highlight how these electroanalytical techniques can be utilized to advance a more fundamental understanding of electron transfer processes involving peat organic matter. These processes include the redox cycling (i.e., repeated reduction and re-oxidation) of peat organic matter under alternating anoxic-oxic conditions as well as the oxidation of phenolic moieties in peat organic matter by phenol oxidases in the presence of molecular oxygen. Overall, this contribution will attempt to link molecular-level insights into the redox properties of peat organic matter to larger scale redox processes that are important to carbon cycling in peatlands.

  10. Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS2 Nanosheets via Covalent Functionalization.

    PubMed

    Benson, Eric E; Zhang, Hanyu; Schuman, Samuel A; Nanayakkara, Sanjini U; Bronstein, Noah D; Ferrere, Suzanne; Blackburn, Jeffrey L; Miller, Elisa M

    2018-01-10

    We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2 ) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3 CH 2 ) 2 NPh-MoS 2 ) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2 . The p-(CH 3 CH 2 ) 2 NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.

  11. Nanographenes as electron-deficient cores of donor-acceptor systems.

    PubMed

    Liu, Yu-Min; Hou, Hao; Zhou, Yan-Zhen; Zhao, Xin-Jing; Tang, Chun; Tan, Yuan-Zhi; Müllen, Klaus

    2018-05-15

    Conjugation of nanographenes (NGs) with electro-active molecules can establish donor-acceptor π-systems in which the former generally serve as the electron-donating moieties due to their electronic-rich nature. In contrast, here we report a series of reversed donor-acceptor structures are obtained by C-N coupling of electron-deficient perchlorinated NGs with electron-rich anilines. Selective amination at the vertexes of the NGs is unambiguously shown through X-ray crystallography. By varying the donating ability of the anilino groups, the optical and assembly properties of donor-acceptor NGs can be finely modulated. The electron-deficient concave core of the resulting conjugates can host electron-rich guest molecules by intermolecular donor-acceptor interactions and gives rise to charge-transfer supramolecular architectures.

  12. Molecular Engineering of UV/Vis Light-Emitting Diode (LED)-Sensitive Donor-π-Acceptor-Type Sulfonium Salt Photoacid Generators: Design, Synthesis, and Study of Photochemical and Photophysical Properties.

    PubMed

    Wu, Xingyu; Jin, Ming; Xie, Jianchao; Malval, Jean-Pierre; Wan, Decheng

    2017-11-07

    A series of donor-π-acceptor-type sulfonium salt photoacid generators (PAGs) were designed and synthesized by systematically changing electron-donating groups, π-conjugated systems, electron-withdrawing groups, and the number of branches through molecular engineering. These PAGs can effectively decompose under UV/Vis irradiation from a light-emitting diode (LED) light source because of the matching absorption and emitting spectra of the LEDs. The absorption and acid-generation properties of these sulfonium salts were elucidated by UV/Vis spectroscopy and so forth. Results indicated that the PAG performance benefited from the introduction of strong electron-donating groups, specific π-conjugated structures, certain electron-withdrawing groups, or two-branched structures. Most sulfonium salts showed potential as photoinitiators under irradiation by a wide variety of UV and visible LEDs. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Geometry dependence of electron donating or accepting abilities of amine groups in 4,4‧-disulfanediylbis(methylene)dithiazol-2-amine: Pyramidal versus planar

    NASA Astrophysics Data System (ADS)

    Karabıyık, Hasan; Kırılmış, Cumhur; Karabıyık, Hande

    2017-08-01

    The molecular and crystal structure of the title compound in which two thiazole-2-amine rings are linked to each other by disulfide bridge (sbnd Csbnd Ssbnd Ssbnd Csbnd) were studied by single-crystal X-ray diffraction, FT-IR, NMR spectroscopy, quantum chemical calculations and topological analyses on the electron density. A novel synthesis route for the compounds having symmetrical disulfide bridge is reported. The most important result regarding the compound is about electron donating or accepting properties of the terminal amine groups. Planar amine group acts as an electron-donating group, while pyramidal amine behaves as electron-accepting group. This inference was confirmed by scrutiny of crystallographic geometry and quantum chemical studies. To ascertain underlying reasons for this fact, intermolecular interactions (Nsbnd H⋯N type H-bonds and Csbnd H···π interactions) were studied. These interactions involving aromatic thiazole rings are verified by topological electron density and Hirshfeld surface analyses. Intermolecular interactions do not have an effect on the differentiation in electron donating or accepting ability of amine groups, because both amine groups are involved in Nsbnd H⋯N type H-bonds. In methodological sense, it has been understood that Ehrenfest forces acting on electron density are useful theoretical probe to analyze intra-molecular charge transfer processes.

  14. Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS 2 Nanosheets via Covalent Functionalization

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

    Benson, Eric E.; Zhang, Hanyu; Schuman, Samuel A.

    We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3CH 2) 2NPh-MoS 2) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2. The p-(CHmore » 3CH 2) 2NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.« less

  15. Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS 2 Nanosheets via Covalent Functionalization

    DOE PAGES

    Benson, Eric E.; Zhang, Hanyu; Schuman, Samuel A.; ...

    2017-12-27

    We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3CH 2) 2NPh-MoS 2) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2. The p-(CHmore » 3CH 2) 2NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.« less

  16. 41 CFR 102-37.30 - When does property become available for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... become available for donation? 102-37.30 Section 102-37.30 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.30 When does property become available for donation? Excess personal property becomes available for donation the day...

  17. 41 CFR 102-37.30 - When does property become available for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... become available for donation? 102-37.30 Section 102-37.30 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.30 When does property become available for donation? Excess personal property becomes available for donation the day...

  18. 41 CFR 102-37.30 - When does property become available for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... become available for donation? 102-37.30 Section 102-37.30 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.30 When does property become available for donation? Excess personal property becomes available for donation the day...

  19. 41 CFR 102-37.30 - When does property become available for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... become available for donation? 102-37.30 Section 102-37.30 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.30 When does property become available for donation? Excess personal property becomes available for donation the day...

  20. 41 CFR 102-37.30 - When does property become available for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... become available for donation? 102-37.30 Section 102-37.30 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.30 When does property become available for donation? Excess personal property becomes available for donation the day...

  1. 41 CFR 102-37.35 - Who handles the donation of surplus property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false Who handles the donation...-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.35 Who handles the donation of surplus property? (a) The SASPs handle the donation of most surplus property to eligible donees...

  2. 41 CFR 102-37.35 - Who handles the donation of surplus property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false Who handles the donation...-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.35 Who handles the donation of surplus property? (a) The SASPs handle the donation of most surplus property to eligible donees...

  3. 41 CFR 102-37.35 - Who handles the donation of surplus property?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false Who handles the donation...-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.35 Who handles the donation of surplus property? (a) The SASPs handle the donation of most surplus property to eligible donees...

  4. 41 CFR 102-37.35 - Who handles the donation of surplus property?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false Who handles the donation...-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.35 Who handles the donation of surplus property? (a) The SASPs handle the donation of most surplus property to eligible donees...

  5. 41 CFR 102-37.35 - Who handles the donation of surplus property?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false Who handles the donation...-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.35 Who handles the donation of surplus property? (a) The SASPs handle the donation of most surplus property to eligible donees...

  6. Application-oriented computational studies on a series of D-π-A structured porphyrin sensitizers with different electron-donor groups.

    PubMed

    Fan, Chencheng; Zhang, Bao; Li, Yuanchao; Liang, Yuxia; Xue, Xiaodong; Feng, Yaqing

    2015-11-11

    A series of D-π-A zinc porphyrin sensitizers bearing a substituted iminodibenzyl group at the porphyrin meso position, which is expected to have different electron-donating abilities, were designed. Theoretical studies were performed to examine the photovoltaic properties of these molecules in dye-sensitized solar cells (DSSCs). In particular, the important concepts, the Fukui function and the extended condensed Fukui function, are employed to describe the electron-donating abilities accurately at the quantitative level. Tangui Le Bahers model was adopted to analyze charge transfer (CT) during electron transition. A correlation between the electron donating abilities of the derived iminodibenzyl group and CT was built to evaluate the cell performance based on sensitizers . The theoretical studies showed that porphyrins bearing an extremely strong electron-donating group (EDG) would fail in the generation of photocurrent in the closed circuit when applied in DSSCs due to the higher level of the HOMO energy than the redox potential of the redox couple (I(-)/I3(-)). The one with a weaker EDG () is expected to show better photovoltaic performance than porphyrin with an unsubstituted iminodibenzyl group. This study demonstrates a reliable method involving the employment of the Fukui function, the extended condensed Fukui function and the Tangui Le Bahers model for the evaluation of newly designed D-π-A type porphyrin sensitizers for use in DSSCs, and as guidance for future molecular design.

  7. Molecules with enhanced electronic polarizabilities based on defect-like states in conjugated polymers

    NASA Technical Reports Server (NTRS)

    Beratan, David N. (Inventor)

    1991-01-01

    Highly conjugated organic polymers typically have large non-resonant electronic susceptibilities, which give the molecules unusual optical properties. To enhance these properties, defects are introduced into the polymer chain. Examples include light doping of the conjugated polymer and synthesis, conjugated polymers which incorporate either electron donating or accepting groups, and conjugated polymers which contain a photoexcitable species capable of reversibly transferring its electron to an acceptor. Such defects in the chain permit enhancement of the second hyperpolarizability by at least an order of magnitude.

  8. 41 CFR 102-37.80 - What happens to surplus property that isn't transferred for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... property that isn't transferred for donation? 102-37.80 Section 102-37.80 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.80 What happens to surplus property that isn't transferred for donation? Surplus property not transferred for...

  9. 41 CFR 102-37.80 - What happens to surplus property that isn't transferred for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... property that isn't transferred for donation? 102-37.80 Section 102-37.80 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.80 What happens to surplus property that isn't transferred for donation? Surplus property not transferred for...

  10. 41 CFR 102-37.80 - What happens to surplus property that isn't transferred for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... property that isn't transferred for donation? 102-37.80 Section 102-37.80 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.80 What happens to surplus property that isn't transferred for donation? Surplus property not transferred for...

  11. 41 CFR 102-37.80 - What happens to surplus property that isn't transferred for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... property that isn't transferred for donation? 102-37.80 Section 102-37.80 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.80 What happens to surplus property that isn't transferred for donation? Surplus property not transferred for...

  12. 41 CFR 102-37.80 - What happens to surplus property that isn't transferred for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... property that isn't transferred for donation? 102-37.80 Section 102-37.80 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.80 What happens to surplus property that isn't transferred for donation? Surplus property not transferred for...

  13. 41 CFR 102-37.45 - How long is property available for donation screening?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... available for donation screening? 102-37.45 Section 102-37.45 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.45 How long is property available for donation screening? Entities authorized to participate in the donation program may...

  14. 41 CFR 102-37.45 - How long is property available for donation screening?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... available for donation screening? 102-37.45 Section 102-37.45 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.45 How long is property available for donation screening? Entities authorized to participate in the donation program may...

  15. 41 CFR 102-37.45 - How long is property available for donation screening?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... available for donation screening? 102-37.45 Section 102-37.45 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.45 How long is property available for donation screening? Entities authorized to participate in the donation program may...

  16. 41 CFR 102-37.45 - How long is property available for donation screening?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... available for donation screening? 102-37.45 Section 102-37.45 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.45 How long is property available for donation screening? Entities authorized to participate in the donation program may...

  17. 41 CFR 102-37.45 - How long is property available for donation screening?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... available for donation screening? 102-37.45 Section 102-37.45 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.45 How long is property available for donation screening? Entities authorized to participate in the donation program may...

  18. 23 CFR 710.505 - Real property donations.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 23 Highways 1 2010-04-01 2010-04-01 false Real property donations. 710.505 Section 710.505...-WAY AND REAL ESTATE Property Acquisition Alternatives § 710.505 Real property donations. (a) Donations..., whichever is greater. All donations of property received prior to the approval of the NEPA document must...

  19. 41 CFR 102-37.110 - What are a holding agency's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... agency's responsibilities in the donation of surplus property? 102-37.110 Section 102-37.110 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.110 What are a holding agency's responsibilities in the donation of surplus property? Your donation...

  20. 41 CFR 102-37.110 - What are a holding agency's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... agency's responsibilities in the donation of surplus property? 102-37.110 Section 102-37.110 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.110 What are a holding agency's responsibilities in the donation of surplus property? Your donation...

  1. 41 CFR 102-37.110 - What are a holding agency's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... agency's responsibilities in the donation of surplus property? 102-37.110 Section 102-37.110 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.110 What are a holding agency's responsibilities in the donation of surplus property? Your donation...

  2. 41 CFR 102-37.110 - What are a holding agency's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... agency's responsibilities in the donation of surplus property? 102-37.110 Section 102-37.110 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.110 What are a holding agency's responsibilities in the donation of surplus property? Your donation...

  3. 41 CFR 102-37.110 - What are a holding agency's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... agency's responsibilities in the donation of surplus property? 102-37.110 Section 102-37.110 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.110 What are a holding agency's responsibilities in the donation of surplus property? Your donation...

  4. 41 CFR 102-37.50 - What is the general process for requesting surplus property for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... process for requesting surplus property for donation? 102-37.50 Section 102-37.50 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.50 What is the general process for requesting surplus property for donation? The process for...

  5. 41 CFR 102-37.50 - What is the general process for requesting surplus property for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... process for requesting surplus property for donation? 102-37.50 Section 102-37.50 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.50 What is the general process for requesting surplus property for donation? The process for...

  6. 41 CFR 102-37.50 - What is the general process for requesting surplus property for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... process for requesting surplus property for donation? 102-37.50 Section 102-37.50 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.50 What is the general process for requesting surplus property for donation? The process for...

  7. 41 CFR 102-37.380 - What is the statutory authority for donations of surplus Federal property made under this subpart?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... authority for donations of surplus Federal property made under this subpart? 102-37.380 Section 102-37.380...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to... What is the statutory authority for donations of surplus Federal property made under this subpart? The...

  8. 41 CFR 102-37.50 - What is the general process for requesting surplus property for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... process for requesting surplus property for donation? 102-37.50 Section 102-37.50 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.50 What is the general process for requesting surplus property for donation? The process for...

  9. 41 CFR 102-37.380 - What is the statutory authority for donations of surplus Federal property made under this subpart?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... authority for donations of surplus Federal property made under this subpart? 102-37.380 Section 102-37.380...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to... What is the statutory authority for donations of surplus Federal property made under this subpart? The...

  10. 41 CFR 102-37.50 - What is the general process for requesting surplus property for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... process for requesting surplus property for donation? 102-37.50 Section 102-37.50 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.50 What is the general process for requesting surplus property for donation? The process for...

  11. 41 CFR 102-37.380 - What is the statutory authority for donations of surplus Federal property made under this subpart?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... authority for donations of surplus Federal property made under this subpart? 102-37.380 Section 102-37.380...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to... What is the statutory authority for donations of surplus Federal property made under this subpart? The...

  12. 48 CFR 45.604-2 - Abandonment, destruction, or donation of surplus property.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., or donation of surplus property. 45.604-2 Section 45.604-2 Federal Acquisition Regulations System... Disposal 45.604-2 Abandonment, destruction, or donation of surplus property. (a) Plant clearance officers... the costs incident to donation. (d) Before abandoning, destroying, or donating surplus property, the...

  13. 48 CFR 45.604-2 - Abandonment, destruction, or donation of surplus property.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ..., or donation of surplus property. 45.604-2 Section 45.604-2 Federal Acquisition Regulations System... Disposal 45.604-2 Abandonment, destruction, or donation of surplus property. (a) Plant clearance officers... the costs incident to donation. (d) Before abandoning, destroying, or donating surplus property, the...

  14. Quantitative structure-activity relationship analysis of substituted arylazo pyridone dyes in photocatalytic system: Experimental and theoretical study.

    PubMed

    Dostanić, J; Lončarević, D; Zlatar, M; Vlahović, F; Jovanović, D M

    2016-10-05

    A series of arylazo pyridone dyes was synthesized by changing the type of the substituent group in the diazo moiety, ranging from strong electron-donating to strong electron-withdrawing groups. The structural and electronic properties of the investigated dyes was calculated at the M062X/6-31+G(d,p) level of theory. The observed good linear correlations between atomic charges and Hammett σp constants provided a basis to discuss the transmission of electronic substituent effects through a dye framework. The reactivity of synthesized dyes was tested through their decolorization efficiency in TiO2 photocatalytic system (Degussa P-25). Quantitative structure-activity relationship analysis revealed a strong correlation between reactivity of investigated dyes and Hammett substituent constants. The reaction was facilitated by electron-withdrawing groups, and retarded by electron-donating ones. Quantum mechanical calculations was used in order to describe the mechanism of the photocatalytic oxidation reactions of investigated dyes and interpret their reactivities within the framework of the Density Functional Theory (DFT). According to DFT based reactivity descriptors, i.e. Fukui functions and local softness, the active site moves from azo nitrogen atom linked to benzene ring to pyridone carbon atom linked to azo bond, going from dyes with electron-donating groups to dyes with electron-withdrawing groups. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. 41 CFR 102-37.530 - What are FAA's responsibilities in the donation of surplus property to public airports?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... responsibilities in the donation of surplus property to public airports? 102-37.530 Section 102-37.530 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.530 What are FAA's responsibilities in the donation of surplus property to public airports? In...

  16. 41 CFR 102-37.530 - What are FAA's responsibilities in the donation of surplus property to public airports?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... responsibilities in the donation of surplus property to public airports? 102-37.530 Section 102-37.530 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.530 What are FAA's responsibilities in the donation of surplus property to public airports? In...

  17. 41 CFR 102-37.530 - What are FAA's responsibilities in the donation of surplus property to public airports?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... responsibilities in the donation of surplus property to public airports? 102-37.530 Section 102-37.530 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.530 What are FAA's responsibilities in the donation of surplus property to public airports? In...

  18. 41 CFR 102-37.530 - What are FAA's responsibilities in the donation of surplus property to public airports?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... responsibilities in the donation of surplus property to public airports? 102-37.530 Section 102-37.530 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.530 What are FAA's responsibilities in the donation of surplus property to public airports? In...

  19. 41 CFR 102-37.530 - What are FAA's responsibilities in the donation of surplus property to public airports?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... responsibilities in the donation of surplus property to public airports? 102-37.530 Section 102-37.530 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.530 What are FAA's responsibilities in the donation of surplus property to public airports? In...

  20. 41 CFR 109-44.702 - Donations to public bodies.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false Donations to public... AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.702 Donations to public bodies. ...

  1. 41 CFR 109-44.702 - Donations to public bodies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false Donations to public... AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.702 Donations to public bodies. ...

  2. 41 CFR 109-44.702 - Donations to public bodies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false Donations to public... AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.702 Donations to public bodies. ...

  3. 41 CFR 109-44.702 - Donations to public bodies.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false Donations to public... AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.702 Donations to public bodies. ...

  4. 41 CFR 109-44.702 - Donations to public bodies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false Donations to public... AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.702 Donations to public bodies. ...

  5. 41 CFR 102-41.170 - Is unclaimed personal property available for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... property available for donation? 102-41.170 Section 102-41.170 Public Contracts and Property Management... Personal Property § 102-41.170 Is unclaimed personal property available for donation? No, unclaimed personal property is not available for donation because reimbursement at fair market value is required. ...

  6. 41 CFR 102-41.170 - Is unclaimed personal property available for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... property available for donation? 102-41.170 Section 102-41.170 Public Contracts and Property Management... Personal Property § 102-41.170 Is unclaimed personal property available for donation? No, unclaimed personal property is not available for donation because reimbursement at fair market value is required. ...

  7. 41 CFR 102-41.170 - Is unclaimed personal property available for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... property available for donation? 102-41.170 Section 102-41.170 Public Contracts and Property Management... Personal Property § 102-41.170 Is unclaimed personal property available for donation? No, unclaimed personal property is not available for donation because reimbursement at fair market value is required. ...

  8. 41 CFR 102-41.170 - Is unclaimed personal property available for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... property available for donation? 102-41.170 Section 102-41.170 Public Contracts and Property Management... Personal Property § 102-41.170 Is unclaimed personal property available for donation? No, unclaimed personal property is not available for donation because reimbursement at fair market value is required. ...

  9. 41 CFR 102-41.170 - Is unclaimed personal property available for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... property available for donation? 102-41.170 Section 102-41.170 Public Contracts and Property Management... Personal Property § 102-41.170 Is unclaimed personal property available for donation? No, unclaimed personal property is not available for donation because reimbursement at fair market value is required. ...

  10. 41 CFR 102-37.125 - What are some donations that do not require GSA's approval?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What are some donations... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.125 What are some donations that do not require GSA's approval? (a) Some donations of surplus property that do not require GSA's...

  11. 41 CFR 102-37.85 - Can surplus property being offered for sale be withdrawn and approved for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... being offered for sale be withdrawn and approved for donation? 102-37.85 Section 102-37.85 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.85 Can surplus property being offered for sale be withdrawn and approved for donation...

  12. 41 CFR 102-37.85 - Can surplus property being offered for sale be withdrawn and approved for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... being offered for sale be withdrawn and approved for donation? 102-37.85 Section 102-37.85 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.85 Can surplus property being offered for sale be withdrawn and approved for donation...

  13. 41 CFR 102-37.85 - Can surplus property being offered for sale be withdrawn and approved for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... being offered for sale be withdrawn and approved for donation? 102-37.85 Section 102-37.85 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.85 Can surplus property being offered for sale be withdrawn and approved for donation...

  14. 41 CFR 102-37.85 - Can surplus property being offered for sale be withdrawn and approved for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... being offered for sale be withdrawn and approved for donation? 102-37.85 Section 102-37.85 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.85 Can surplus property being offered for sale be withdrawn and approved for donation...

  15. 41 CFR 102-37.125 - What are some donations that do not require GSA's approval?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false What are some donations... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.125 What are some donations that do not require GSA's approval? (a) Some donations of surplus property that do not require GSA's...

  16. 41 CFR 102-37.85 - Can surplus property being offered for sale be withdrawn and approved for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... being offered for sale be withdrawn and approved for donation? 102-37.85 Section 102-37.85 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.85 Can surplus property being offered for sale be withdrawn and approved for donation...

  17. 41 CFR 102-37.125 - What are some donations that do not require GSA's approval?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false What are some donations... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.125 What are some donations that do not require GSA's approval? (a) Some donations of surplus property that do not require GSA's...

  18. 41 CFR 102-37.125 - What are some donations that do not require GSA's approval?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false What are some donations... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.125 What are some donations that do not require GSA's approval? (a) Some donations of surplus property that do not require GSA's...

  19. 41 CFR 102-37.125 - What are some donations that do not require GSA's approval?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false What are some donations... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.125 What are some donations that do not require GSA's approval? (a) Some donations of surplus property that do not require GSA's...

  20. Emission color tuning in AlQ3 complexes with extended conjugated chromophores.

    PubMed

    Pohl, Radek; Anzenbacher, Pavel

    2003-08-07

    [reaction: see text] A new method for the synthesis of 5-arylethynyl-8-hydroxyquinoline ligands using Sonogashira-Hagihara coupling was developed. The electronic nature of arylethynyl substituents affects the emission color and quantum yield of the resulting Al(III) complex. Photophysical properties of the metallocomplexes correspond to the electron-withdrawing/-donating character of the arylethynyl substituents. Optical properties of such Al(III) complexes correlate with the Hammett constant values of the respective substituents. This strategy offers a powerful tool for the preparation of electroluminophores with predictable photophysical properties.

  1. 41 CFR 102-37.130 - What are a SASP's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... responsibilities in the donation of surplus property? 102-37.130 Section 102-37.130 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP) § 102-37.130 What are a SASP's responsibilities in the donation of surplus property? As a SASP, your...

  2. 41 CFR 102-37.130 - What are a SASP's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... responsibilities in the donation of surplus property? 102-37.130 Section 102-37.130 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP) § 102-37.130 What are a SASP's responsibilities in the donation of surplus property? As a SASP, your...

  3. 41 CFR 102-37.130 - What are a SASP's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... responsibilities in the donation of surplus property? 102-37.130 Section 102-37.130 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP) § 102-37.130 What are a SASP's responsibilities in the donation of surplus property? As a SASP, your...

  4. 41 CFR 102-37.130 - What are a SASP's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... responsibilities in the donation of surplus property? 102-37.130 Section 102-37.130 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP) § 102-37.130 What are a SASP's responsibilities in the donation of surplus property? As a SASP, your...

  5. 41 CFR 102-37.130 - What are a SASP's responsibilities in the donation of surplus property?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... responsibilities in the donation of surplus property? 102-37.130 Section 102-37.130 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP) § 102-37.130 What are a SASP's responsibilities in the donation of surplus property? As a SASP, your...

  6. The electron donating capacity of biochar is dramatically underestimated

    PubMed Central

    Prévoteau, Antonin; Ronsse, Frederik; Cid, Inés; Boeckx, Pascal; Rabaey, Korneel

    2016-01-01

    Biochars have gathered considerable interest for agronomic and engineering applications. In addition to their high sorption ability, biochars have been shown to accept or donate considerable amounts of electrons to/from their environment via abiotic or microbial processes. Here, we measured the electron accepting (EAC) and electron donating (EDC) capacities of wood-based biochars pyrolyzed at three different highest treatment temperatures (HTTs: 400, 500, 600 °C) via hydrodynamic electrochemical techniques using a rotating disc electrode. EACs and EDCs varied with HTT in accordance with a previous report with a maximal EAC at 500 °C (0.4 mmol(e−).gchar−1) and a large decrease of EDC with HTT. However, while we monitored similar EAC values than in the preceding study, we show that the EDCs have been underestimated by at least 1 order of magnitude, up to 7 mmol(e−).gchar−1 for a HTT of 400 °C. We attribute this existing underestimation to unnoticed slow kinetics of electron transfer from biochars to the dissolved redox mediators used in the monitoring. The EDC of other soil organic constituents such as humic substances may also have been underestimated. These results imply that the redox properties of biochars may have a much bigger impact on soil biogeochemical processes than previously conjectured. PMID:27628746

  7. Charge-transfer complexes and their role in exciplex emission and near-infrared photovoltaics.

    PubMed

    Ng, Tsz-Wai; Lo, Ming-Fai; Fung, Man-Keung; Zhang, Wen-Jun; Lee, Chun-Sing

    2014-08-20

    Charge transfer and interactions at organic heterojunctions (OHJs) are known to have critical influences on various properties of organic electronic devices. In this Research News article, a short review is given from the electronic viewpoint on how the local molecular interactions and interfacial energetics at P/N OHJs contribute to the recombination/dissociation of electron-hole pairs. Very often, the P-type materials donate electrons to the N-type materials, giving rise to charge-transfer complexes (CTCs) with a P(δ+) -N(δ-) configuration. A recently observed opposite charge-transfer direction in OHJs is also discussed (i.e., N-type material donates electrons to P-type material to form P(δ-) -N(δ+) ). Recent studies on the electronic structures of CTC-forming material pairs are also summarized. The formation of P(δ-) -N(δ+) -type CTCs and their correlations with exciplex emission are examined. Furthermore, the potential applications of CTCs in NIR photovoltaic devices are reviewed. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. 48 CFR 45.603 - Abandonment, destruction or donation of excess personal property.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... or donation of excess personal property. 45.603 Section 45.603 Federal Acquisition Regulations System... Disposal 45.603 Abandonment, destruction or donation of excess personal property. (a) Plant clearance... any of the costs incident to a donation. (d)(1) Before abandoning, destroying, or donating excess...

  9. 48 CFR 45.603 - Abandonment, destruction or donation of excess personal property.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... or donation of excess personal property. 45.603 Section 45.603 Federal Acquisition Regulations System... Disposal 45.603 Abandonment, destruction or donation of excess personal property. (a) Plant clearance... any of the costs incident to a donation. (d)(1) Before abandoning, destroying, or donating excess...

  10. 41 CFR 102-37.200 - What certifications must a SASP make when requesting surplus property for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... a SASP make when requesting surplus property for donation? 102-37.200 Section 102-37.200 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus... requesting surplus property for donation? When requesting or applying for property, you must certify that: (a...

  11. 41 CFR 102-37.200 - What certifications must a SASP make when requesting surplus property for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... a SASP make when requesting surplus property for donation? 102-37.200 Section 102-37.200 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus... requesting surplus property for donation? When requesting or applying for property, you must certify that: (a...

  12. 41 CFR 102-37.200 - What certifications must a SASP make when requesting surplus property for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... a SASP make when requesting surplus property for donation? 102-37.200 Section 102-37.200 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus... requesting surplus property for donation? When requesting or applying for property, you must certify that: (a...

  13. 41 CFR 102-37.200 - What certifications must a SASP make when requesting surplus property for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... a SASP make when requesting surplus property for donation? 102-37.200 Section 102-37.200 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus... requesting surplus property for donation? When requesting or applying for property, you must certify that: (a...

  14. 41 CFR 102-37.200 - What certifications must a SASP make when requesting surplus property for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... a SASP make when requesting surplus property for donation? 102-37.200 Section 102-37.200 Public... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus... requesting surplus property for donation? When requesting or applying for property, you must certify that: (a...

  15. 41 CFR 109-44.701 - Findings justifying donation to public bodies.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... donation to public bodies. 109-44.701 Section 109-44.701 Public Contracts and Property Management Federal... UTILIZATION AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.701 Findings justifying donation to public bodies. The Director, Office of Administrative Services and...

  16. 41 CFR 102-37.580 - Who is responsible for costs associated with the donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... costs associated with the donation? 102-37.580 Section 102-37.580 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.580 Who is responsible for costs associated with the donation? The recipient public body...

  17. 41 CFR 102-37.580 - Who is responsible for costs associated with the donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... costs associated with the donation? 102-37.580 Section 102-37.580 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.580 Who is responsible for costs associated with the donation? The recipient public body...

  18. 41 CFR 102-37.580 - Who is responsible for costs associated with the donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... costs associated with the donation? 102-37.580 Section 102-37.580 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.580 Who is responsible for costs associated with the donation? The recipient public body...

  19. 41 CFR 109-44.701 - Findings justifying donation to public bodies.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... donation to public bodies. 109-44.701 Section 109-44.701 Public Contracts and Property Management Federal... UTILIZATION AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.701 Findings justifying donation to public bodies. The Director, Office of Administrative Services and...

  20. 41 CFR 109-44.701 - Findings justifying donation to public bodies.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... donation to public bodies. 109-44.701 Section 109-44.701 Public Contracts and Property Management Federal... UTILIZATION AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.701 Findings justifying donation to public bodies. The Director, Office of Administrative Services and...

  1. 41 CFR 109-44.701 - Findings justifying donation to public bodies.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... donation to public bodies. 109-44.701 Section 109-44.701 Public Contracts and Property Management Federal... UTILIZATION AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.701 Findings justifying donation to public bodies. The Director, Office of Administrative Services and...

  2. 41 CFR 102-37.580 - Who is responsible for costs associated with the donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... costs associated with the donation? 102-37.580 Section 102-37.580 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.580 Who is responsible for costs associated with the donation? The recipient public body...

  3. 41 CFR 102-37.580 - Who is responsible for costs associated with the donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... costs associated with the donation? 102-37.580 Section 102-37.580 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.580 Who is responsible for costs associated with the donation? The recipient public body...

  4. 41 CFR 109-44.701 - Findings justifying donation to public bodies.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... donation to public bodies. 109-44.701 Section 109-44.701 Public Contracts and Property Management Federal... UTILIZATION AND DISPOSAL 44-DONATION OF PERSONAL PROPERTY 44.7-Donations of Property to Public Bodies § 109-44.701 Findings justifying donation to public bodies. The Director, Office of Administrative Services and...

  5. 41 CFR 102-37.40 - What type of surplus property is available for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false What type of surplus property is available for donation? 102-37.40 Section 102-37.40 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.40 What type...

  6. 41 CFR 102-37.40 - What type of surplus property is available for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false What type of surplus property is available for donation? 102-37.40 Section 102-37.40 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.40 What type...

  7. 41 CFR 102-37.40 - What type of surplus property is available for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false What type of surplus property is available for donation? 102-37.40 Section 102-37.40 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.40 What type...

  8. 41 CFR 102-37.175 - How does a SASP find out what property is potentially available for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... what property is potentially available for donation? 102-37.175 Section 102-37.175 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP... available for donation? A SASP may conduct onsite screening at various Federal facilities, contact or submit...

  9. 41 CFR 102-37.210 - Must a SASP make a drug-free workplace certification when requesting surplus property for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-free workplace certification when requesting surplus property for donation? 102-37.210 Section 102-37...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for... workplace certification when requesting surplus property for donation? No, you must certify that you will...

  10. 41 CFR 102-37.175 - How does a SASP find out what property is potentially available for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... what property is potentially available for donation? 102-37.175 Section 102-37.175 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP... available for donation? A SASP may conduct onsite screening at various Federal facilities, contact or submit...

  11. 41 CFR 102-37.175 - How does a SASP find out what property is potentially available for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... what property is potentially available for donation? 102-37.175 Section 102-37.175 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP... available for donation? A SASP may conduct onsite screening at various Federal facilities, contact or submit...

  12. 41 CFR 102-37.210 - Must a SASP make a drug-free workplace certification when requesting surplus property for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...-free workplace certification when requesting surplus property for donation? 102-37.210 Section 102-37...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for... workplace certification when requesting surplus property for donation? No, you must certify that you will...

  13. 41 CFR 102-37.210 - Must a SASP make a drug-free workplace certification when requesting surplus property for donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-free workplace certification when requesting surplus property for donation? 102-37.210 Section 102-37...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for... workplace certification when requesting surplus property for donation? No, you must certify that you will...

  14. 41 CFR 102-37.175 - How does a SASP find out what property is potentially available for donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... what property is potentially available for donation? 102-37.175 Section 102-37.175 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP... available for donation? A SASP may conduct onsite screening at various Federal facilities, contact or submit...

  15. 41 CFR 102-37.175 - How does a SASP find out what property is potentially available for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... what property is potentially available for donation? 102-37.175 Section 102-37.175 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for Surplus Property (SASP... available for donation? A SASP may conduct onsite screening at various Federal facilities, contact or submit...

  16. 41 CFR 102-37.210 - Must a SASP make a drug-free workplace certification when requesting surplus property for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...-free workplace certification when requesting surplus property for donation? 102-37.210 Section 102-37...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for... workplace certification when requesting surplus property for donation? No, you must certify that you will...

  17. 41 CFR 102-37.210 - Must a SASP make a drug-free workplace certification when requesting surplus property for donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...-free workplace certification when requesting surplus property for donation? 102-37.210 Section 102-37...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY State Agency for... workplace certification when requesting surplus property for donation? No, you must certify that you will...

  18. 41 CFR 102-75.990 - May Federal agencies abandon, destroy, or donate to public bodies real property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... abandon, destroy, or donate to public bodies real property? 102-75.990 Section 102-75.990 Public Contracts... REGULATION REAL PROPERTY 75-REAL PROPERTY DISPOSAL Abandonment, Destruction, or Donation to Public Bodies § 102-75.990 May Federal agencies abandon, destroy, or donate to public bodies real property? Yes...

  19. 41 CFR 102-75.990 - May Federal agencies abandon, destroy, or donate to public bodies real property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... abandon, destroy, or donate to public bodies real property? 102-75.990 Section 102-75.990 Public Contracts... REGULATION REAL PROPERTY 75-REAL PROPERTY DISPOSAL Abandonment, Destruction, or Donation to Public Bodies § 102-75.990 May Federal agencies abandon, destroy, or donate to public bodies real property? Yes...

  20. 41 CFR 102-37.575 - Is there a special form for holding agencies to process donations?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... for holding agencies to process donations? 102-37.575 Section 102-37.575 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.575 Is there a special form for holding agencies to process donations? There is no...

  1. 41 CFR 102-37.575 - Is there a special form for holding agencies to process donations?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... for holding agencies to process donations? 102-37.575 Section 102-37.575 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.575 Is there a special form for holding agencies to process donations? There is no...

  2. 41 CFR 102-37.575 - Is there a special form for holding agencies to process donations?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... for holding agencies to process donations? 102-37.575 Section 102-37.575 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.575 Is there a special form for holding agencies to process donations? There is no...

  3. 41 CFR 102-37.575 - Is there a special form for holding agencies to process donations?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... for holding agencies to process donations? 102-37.575 Section 102-37.575 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.575 Is there a special form for holding agencies to process donations? There is no...

  4. 41 CFR 102-37.575 - Is there a special form for holding agencies to process donations?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... for holding agencies to process donations? 102-37.575 Section 102-37.575 Public Contracts and Property... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.575 Is there a special form for holding agencies to process donations? There is no...

  5. An Electron-Transporting Thiazole-Based Polymer Synthesized Through Direct (Hetero)Arylation Polymerization.

    PubMed

    Chávez, Patricia; Bulut, Ibrahim; Fall, Sadiara; Ibraikulov, Olzhas A; Chochos, Christos L; Bartringer, Jérémy; Heiser, Thomas; Lévêque, Patrick; Leclerc, Nicolas

    2018-05-25

    In this work, a new n -type polymer based on a thiazole-diketopyrrolopyrrole unit has been synthesized through direct (hetero)arylation polycondensation. The molar mass has been optimized by systematic variation of the the monomer concentration. Optical and electrochemical properties have been studied. They clearly suggested that this polymer possess a high electron affinity together with a very interesting absorption band, making it a good non-fullerene acceptor candidate. As a consequence, its charge transport and photovoltaic properties in a blend with the usual P3HT electron-donating polymer have been investigated.

  6. 41 CFR 102-37.500 - May a donee receive reimbursement for its donation expenses when unneeded property is returned to...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... reimbursement for its donation expenses when unneeded property is returned to the SASP? 102-37.500 Section 102... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations...

  7. 41 CFR 102-37.500 - May a donee receive reimbursement for its donation expenses when unneeded property is returned to...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... reimbursement for its donation expenses when unneeded property is returned to the SASP? 102-37.500 Section 102... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations...

  8. 41 CFR 102-37.500 - May a donee receive reimbursement for its donation expenses when unneeded property is returned to...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... reimbursement for its donation expenses when unneeded property is returned to the SASP? 102-37.500 Section 102... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations...

  9. 41 CFR 102-37.500 - May a donee receive reimbursement for its donation expenses when unneeded property is returned to...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... reimbursement for its donation expenses when unneeded property is returned to the SASP? 102-37.500 Section 102... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations...

  10. 41 CFR 102-37.500 - May a donee receive reimbursement for its donation expenses when unneeded property is returned to...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... reimbursement for its donation expenses when unneeded property is returned to the SASP? 102-37.500 Section 102... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations...

  11. A-π-D-π-A Electron-Donating Small Molecules for Solution-Processed Organic Solar Cells: A Review.

    PubMed

    Wang, Zhen; Zhu, Lingyun; Shuai, Zhigang; Wei, Zhixiang

    2017-11-01

    Organic solar cells based on semiconducting polymers and small molecules have attracted considerable attention in the last two decades. Moreover, the power conversion efficiencies for solution-processed solar cells containing A-π-D-π-A-type small molecules and fullerenes have reached 11%. However, the method for designing high-performance, photovoltaic small molecules still remains unclear. In this review, recent studies on A-π-D-π-A electron-donating small molecules for organic solar cells are introduced. Moreover, the relationships between molecular properties and device performances are summarized, from which inspiration for the future design of high performance organic solar cells may be obtained. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Babucci, Melike; Fang, Chia -Yu; Hoffman, Adam S.

    1,3-Dialkylimidazolium ionic liquid coatings act as electron donors, increasing the selectivity for partial hydrogenation of 1,3-butadiene catalyzed by iridium complexes supported on high-surface-area γ-Al 2O 3. High-energy-resolution fluorescence detection X-ray absorption near-edge structure (HERFD XANES) measurements quantify the electron donation and are correlated with the catalytic activity and selectivity. Furthermore, the results demonstrate broad opportunities to tune electronic environments and catalytic properties of atomically dispersed supported metal catalysts.

  13. The unexpected roles of σ and π orbitals in electron donor and acceptor group effects on the 13C NMR chemical shifts in substituted benzenes† †Electronic supplementary information (ESI) available: Experimental 13C NMR chemical shifts, individual components of the 13C NMR shielding tensor, lists and graphics of NLMO contributions, and tables of NLMO properties. See DOI: 10.1039/c7sc02163a Click here for additional data file.

    PubMed Central

    Viesser, Renan V.

    2017-01-01

    Effects of electron-donating (R = NH2) and electron-withdrawing (R = NO2) groups on 13C NMR chemical shifts in R-substituted benzene are investigated by molecular orbital analyses. The 13C shift substituent effect in ortho, meta, and para position is determined by the σ bonding orbitals in the aryl ring. The π orbitals do not explain the substituent effects in the NMR spectrum as conventionally suggested in textbooks. The familiar electron donating and withdrawing effects on the π system by NH2 and NO2 substituents induce changes in the σ orbital framework, and the 13C chemical shifts follow the trends induced in the σ orbitals. There is an implicit dependence of the σ orbital NMR shift contributions on the π framework, via unoccupied π* orbitals, due to the fact that the nuclear shielding is a response property. PMID:28989684

  14. 41 CFR 102-36.270 - What if a federal agency requests personal property that is undergoing donation screening or in...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... requests personal property that is undergoing donation screening or in the sales process? 102-36.270... agency requests personal property that is undergoing donation screening or in the sales process? Prior to... property undergoing donation screening or in the sales process. Federal transfers may be authorized prior...

  15. 41 CFR 102-36.270 - What if a federal agency requests personal property that is undergoing donation screening or in...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... requests personal property that is undergoing donation screening or in the sales process? 102-36.270... agency requests personal property that is undergoing donation screening or in the sales process? Prior to... property undergoing donation screening or in the sales process. Federal transfers may be authorized prior...

  16. 41 CFR 102-36.270 - What if a federal agency requests personal property that is undergoing donation screening or in...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... requests personal property that is undergoing donation screening or in the sales process? 102-36.270... agency requests personal property that is undergoing donation screening or in the sales process? Prior to... property undergoing donation screening or in the sales process. Federal transfers may be authorized prior...

  17. 41 CFR 102-36.270 - What if a federal agency requests personal property that is undergoing donation screening or in...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... requests personal property that is undergoing donation screening or in the sales process? 102-36.270... agency requests personal property that is undergoing donation screening or in the sales process? Prior to... property undergoing donation screening or in the sales process. Federal transfers may be authorized prior...

  18. 41 CFR 102-36.270 - What if a federal agency requests personal property that is undergoing donation screening or in...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... requests personal property that is undergoing donation screening or in the sales process? 102-36.270... agency requests personal property that is undergoing donation screening or in the sales process? Prior to... property undergoing donation screening or in the sales process. Federal transfers may be authorized prior...

  19. 41 CFR 102-37.550 - What steps must the American National Red Cross take to acquire surplus property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American... property? Upon receipt of information from GSA regarding the availability of surplus property for donation...

  20. 41 CFR 102-37.550 - What steps must the American National Red Cross take to acquire surplus property?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American... property? Upon receipt of information from GSA regarding the availability of surplus property for donation...

  1. 41 CFR 102-37.550 - What steps must the American National Red Cross take to acquire surplus property?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American... property? Upon receipt of information from GSA regarding the availability of surplus property for donation...

  2. 41 CFR 102-37.550 - What steps must the American National Red Cross take to acquire surplus property?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American... property? Upon receipt of information from GSA regarding the availability of surplus property for donation...

  3. 41 CFR 102-37.550 - What steps must the American National Red Cross take to acquire surplus property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American... property? Upon receipt of information from GSA regarding the availability of surplus property for donation...

  4. 41 CFR 102-37.520 - What is the authority for public airport donations?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... for public airport donations? 102-37.520 Section 102-37.520 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.520 What is the authority for public airport donations? The authority for public airport donations is 49 U.S.C. 47151. 49 U...

  5. 41 CFR 102-37.520 - What is the authority for public airport donations?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... for public airport donations? 102-37.520 Section 102-37.520 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.520 What is the authority for public airport donations? The authority for public airport donations is 49 U.S.C. 47151. 49 U...

  6. 41 CFR 102-37.520 - What is the authority for public airport donations?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... for public airport donations? 102-37.520 Section 102-37.520 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.520 What is the authority for public airport donations? The authority for public airport donations is 49 U.S.C. 47151. 49 U...

  7. 41 CFR 102-37.520 - What is the authority for public airport donations?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... for public airport donations? 102-37.520 Section 102-37.520 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.520 What is the authority for public airport donations? The authority for public airport donations is 49 U.S.C. 47151. 49 U...

  8. 41 CFR 102-37.520 - What is the authority for public airport donations?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... for public airport donations? 102-37.520 Section 102-37.520 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.520 What is the authority for public airport donations? The authority for public airport donations is 49 U.S.C. 47151. 49 U...

  9. 41 CFR 102-37.445 - What certifications must a donee make before receiving property?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Terms and Conditions of Donation § 102-37.445 What... incident to the donation; (d) It will comply with the nondiscrimination regulations issued under title VI...

  10. 41 CFR 102-37.445 - What certifications must a donee make before receiving property?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Terms and Conditions of Donation § 102-37.445 What... incident to the donation; (d) It will comply with the nondiscrimination regulations issued under title VI...

  11. 41 CFR 101-42.304 - Special requirements for donation of certain hazardous materials.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... donation of certain hazardous materials. 101-42.304 Section 101-42.304 Public Contracts and Property....3-Donation of Hazardous Materials and Certain Categories of Property § 101-42.304 Special requirements for donation of certain hazardous materials. Special donation requirements for specific hazardous...

  12. 41 CFR 101-42.304 - Special requirements for donation of certain hazardous materials.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... donation of certain hazardous materials. 101-42.304 Section 101-42.304 Public Contracts and Property....3-Donation of Hazardous Materials and Certain Categories of Property § 101-42.304 Special requirements for donation of certain hazardous materials. Special donation requirements for specific hazardous...

  13. 41 CFR 101-42.304 - Special requirements for donation of certain hazardous materials.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... donation of certain hazardous materials. 101-42.304 Section 101-42.304 Public Contracts and Property....3-Donation of Hazardous Materials and Certain Categories of Property § 101-42.304 Special requirements for donation of certain hazardous materials. Special donation requirements for specific hazardous...

  14. 41 CFR 101-42.304 - Special requirements for donation of certain hazardous materials.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... donation of certain hazardous materials. 101-42.304 Section 101-42.304 Public Contracts and Property....3-Donation of Hazardous Materials and Certain Categories of Property § 101-42.304 Special requirements for donation of certain hazardous materials. Special donation requirements for specific hazardous...

  15. 41 CFR 101-42.304 - Special requirements for donation of certain hazardous materials.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... donation of certain hazardous materials. 101-42.304 Section 101-42.304 Public Contracts and Property....3-Donation of Hazardous Materials and Certain Categories of Property § 101-42.304 Special requirements for donation of certain hazardous materials. Special donation requirements for specific hazardous...

  16. Theoretical study on the electronic structures and phosphorescent properties of four Ir(III) complexes with different substituents on the ancillary ligand

    NASA Astrophysics Data System (ADS)

    Han, Deming; Shang, Xiaohong; Zhang, Gang; Zhao, Lihui

    2013-12-01

    The geometry structures, electronic structures, absorption and phosphorescent properties of four Ir(III) complexes {[(F2-ppy)2Ir(pta-X)], where F2-ppy = (2,4-difluoro)phenylpyridine; pta = pyridine-1,2,4-triazole; X = -CF3; -H; -CH3; -N(CH3)2}, are investigated using the density functional method. The results reveal that the electron-accepting group -CF3 has no obvious effect on absorption and emission properties, while the substitutive group -N(CH3)2 with strong electron-donating ability has obvious effect on the emission properties. The mobility of hole and electron were studied computationally based on the Marcus-Hush theory. Calculations of ionisation potential and electron affinity were used to evaluate the injection abilities of holes and electrons into these complexes. We hope that this theoretical work can provide a suitable guide to the future design and synthesis of novel phosphorescent materials for use in the organic light-emitting diodes.

  17. 41 CFR 102-75.1015 - Are there any restrictions on Federal agencies concerning property donations to public bodies?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... restrictions on Federal agencies concerning property donations to public bodies? 102-75.1015 Section 102-75... Donation to Public Bodies Restrictions § 102-75.1015 Are there any restrictions on Federal agencies concerning property donations to public bodies? Yes, Federal agencies must obtain prior concurrence of GSA...

  18. 41 CFR 102-75.1015 - Are there any restrictions on Federal agencies concerning property donations to public bodies?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... restrictions on Federal agencies concerning property donations to public bodies? 102-75.1015 Section 102-75... Donation to Public Bodies Restrictions § 102-75.1015 Are there any restrictions on Federal agencies concerning property donations to public bodies? Yes, Federal agencies must obtain prior concurrence of GSA...

  19. 41 CFR 102-75.1015 - Are there any restrictions on Federal agencies concerning property donations to public bodies?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... restrictions on Federal agencies concerning property donations to public bodies? 102-75.1015 Section 102-75... Donation to Public Bodies Restrictions § 102-75.1015 Are there any restrictions on Federal agencies concerning property donations to public bodies? Yes, Federal agencies must obtain prior concurrence of GSA...

  20. 41 CFR 102-75.1015 - Are there any restrictions on Federal agencies concerning property donations to public bodies?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... restrictions on Federal agencies concerning property donations to public bodies? 102-75.1015 Section 102-75... Donation to Public Bodies Restrictions § 102-75.1015 Are there any restrictions on Federal agencies concerning property donations to public bodies? Yes, Federal agencies must obtain prior concurrence of GSA...

  1. 41 CFR 102-75.1015 - Are there any restrictions on Federal agencies concerning property donations to public bodies?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... restrictions on Federal agencies concerning property donations to public bodies? 102-75.1015 Section 102-75... Donation to Public Bodies Restrictions § 102-75.1015 Are there any restrictions on Federal agencies concerning property donations to public bodies? Yes, Federal agencies must obtain prior concurrence of GSA...

  2. Tuning the Selectivity of Single-Site Supported Metal Catalysts with Ionic Liquids

    DOE PAGES

    Babucci, Melike; Fang, Chia -Yu; Hoffman, Adam S.; ...

    2017-09-11

    1,3-Dialkylimidazolium ionic liquid coatings act as electron donors, increasing the selectivity for partial hydrogenation of 1,3-butadiene catalyzed by iridium complexes supported on high-surface-area γ-Al 2O 3. High-energy-resolution fluorescence detection X-ray absorption near-edge structure (HERFD XANES) measurements quantify the electron donation and are correlated with the catalytic activity and selectivity. Furthermore, the results demonstrate broad opportunities to tune electronic environments and catalytic properties of atomically dispersed supported metal catalysts.

  3. 41 CFR 102-37.55 - Who pays for transportation and other costs associated with a donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... transportation and other costs associated with a donation? 102-37.55 Section 102-37.55 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.55 Who pays for transportation and other costs associated with a donation? The receiving...

  4. 41 CFR 102-37.565 - What is the authority for donations to public bodies?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... for donations to public bodies? 102-37.565 Section 102-37.565 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.565 What is the authority for donations to public bodies? Section 527 of title 40, United...

  5. 41 CFR 102-37.565 - What is the authority for donations to public bodies?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... for donations to public bodies? 102-37.565 Section 102-37.565 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.565 What is the authority for donations to public bodies? Section 527 of title 40, United...

  6. 41 CFR 102-37.55 - Who pays for transportation and other costs associated with a donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... transportation and other costs associated with a donation? 102-37.55 Section 102-37.55 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.55 Who pays for transportation and other costs associated with a donation? The receiving...

  7. 41 CFR 102-37.55 - Who pays for transportation and other costs associated with a donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... transportation and other costs associated with a donation? 102-37.55 Section 102-37.55 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.55 Who pays for transportation and other costs associated with a donation? The receiving...

  8. 41 CFR 102-37.565 - What is the authority for donations to public bodies?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... for donations to public bodies? 102-37.565 Section 102-37.565 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.565 What is the authority for donations to public bodies? Section 527 of title 40, United...

  9. 41 CFR 102-37.565 - What is the authority for donations to public bodies?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... for donations to public bodies? 102-37.565 Section 102-37.565 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.565 What is the authority for donations to public bodies? Section 527 of title 40, United...

  10. 41 CFR 102-37.565 - What is the authority for donations to public bodies?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... for donations to public bodies? 102-37.565 Section 102-37.565 Public Contracts and Property Management... 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.565 What is the authority for donations to public bodies? Section 527 of title 40, United...

  11. 41 CFR 102-37.55 - Who pays for transportation and other costs associated with a donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... transportation and other costs associated with a donation? 102-37.55 Section 102-37.55 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.55 Who pays for transportation and other costs associated with a donation? The receiving...

  12. 41 CFR 102-37.55 - Who pays for transportation and other costs associated with a donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... transportation and other costs associated with a donation? 102-37.55 Section 102-37.55 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.55 Who pays for transportation and other costs associated with a donation? The receiving...

  13. 41 CFR 102-37.510 - Are there special requirements for donating property to SEAs?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... requirements for donating property to SEAs? 102-37.510 Section 102-37.510 Public Contracts and Property... Activities (SEAs), and Eligible Nonprofit Organizations Special Provisions Pertaining to Seas § 102-37.510 Are there special requirements for donating property to SEAs? Yes, only DOD-generated property may be...

  14. 41 CFR 102-37.460 - What special terms and conditions apply to the donation of aircraft and vessels?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... conditions apply to the donation of aircraft and vessels? 102-37.460 Section 102-37.460 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service...-37.460 What special terms and conditions apply to the donation of aircraft and vessels? The following...

  15. 41 CFR 102-37.465 - May a SASP modify or release any of the terms and conditions of donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... release any of the terms and conditions of donation? 102-37.465 Section 102-37.465 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service... SASP modify or release any of the terms and conditions of donation? You may alter or grant releases...

  16. 41 CFR 102-37.540 - What is the authority for donations to the American National Red Cross?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... for donations to the American National Red Cross? 102-37.540 Section 102-37.540 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American National Red Cross § 102-37.540 What is the authority for donations to the American National Red Cross? Section 551...

  17. 41 CFR 102-37.540 - What is the authority for donations to the American National Red Cross?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... for donations to the American National Red Cross? 102-37.540 Section 102-37.540 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American National Red Cross § 102-37.540 What is the authority for donations to the American National Red Cross? Section 551...

  18. 41 CFR 102-37.465 - May a SASP modify or release any of the terms and conditions of donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... release any of the terms and conditions of donation? 102-37.465 Section 102-37.465 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service... SASP modify or release any of the terms and conditions of donation? You may alter or grant releases...

  19. 41 CFR 102-37.465 - May a SASP modify or release any of the terms and conditions of donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... release any of the terms and conditions of donation? 102-37.465 Section 102-37.465 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service... SASP modify or release any of the terms and conditions of donation? You may alter or grant releases...

  20. 41 CFR 102-37.465 - May a SASP modify or release any of the terms and conditions of donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... release any of the terms and conditions of donation? 102-37.465 Section 102-37.465 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service... SASP modify or release any of the terms and conditions of donation? You may alter or grant releases...

  1. 41 CFR 102-37.465 - May a SASP modify or release any of the terms and conditions of donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... release any of the terms and conditions of donation? 102-37.465 Section 102-37.465 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service... SASP modify or release any of the terms and conditions of donation? You may alter or grant releases...

  2. 41 CFR 102-37.540 - What is the authority for donations to the American National Red Cross?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... for donations to the American National Red Cross? 102-37.540 Section 102-37.540 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American National Red Cross § 102-37.540 What is the authority for donations to the American National Red Cross? Section 551...

  3. 41 CFR 102-37.540 - What is the authority for donations to the American National Red Cross?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... for donations to the American National Red Cross? 102-37.540 Section 102-37.540 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American National Red Cross § 102-37.540 What is the authority for donations to the American National Red Cross? Section 551...

  4. 41 CFR 102-37.540 - What is the authority for donations to the American National Red Cross?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... for donations to the American National Red Cross? 102-37.540 Section 102-37.540 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to the American National Red Cross § 102-37.540 What is the authority for donations to the American National Red Cross? Section 551...

  5. 41 CFR 101-42.302 - Responsibilities for donation of hazardous materials.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... donation of hazardous materials. 101-42.302 Section 101-42.302 Public Contracts and Property Management...-Donation of Hazardous Materials and Certain Categories of Property § 101-42.302 Responsibilities for donation of hazardous materials. (a) Holding agencies. Holding agencies shall be responsible for the...

  6. 23 CFR 710.505 - Real property donations.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 23 Highways 1 2012-04-01 2012-04-01 false Real property donations. 710.505 Section 710.505 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION RIGHT-OF-WAY AND ENVIRONMENT RIGHT-OF... meet environmental requirements as specified in 23 U.S.C. 323(d). (b) Credit for donations. Donations...

  7. 41 CFR 101-42.302 - Responsibilities for donation of hazardous materials.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... donation of hazardous materials. 101-42.302 Section 101-42.302 Public Contracts and Property Management...-Donation of Hazardous Materials and Certain Categories of Property § 101-42.302 Responsibilities for donation of hazardous materials. (a) Holding agencies. Holding agencies shall be responsible for the...

  8. 41 CFR 101-42.302 - Responsibilities for donation of hazardous materials.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... donation of hazardous materials. 101-42.302 Section 101-42.302 Public Contracts and Property Management...-Donation of Hazardous Materials and Certain Categories of Property § 101-42.302 Responsibilities for donation of hazardous materials. (a) Holding agencies. Holding agencies shall be responsible for the...

  9. 41 CFR 101-42.302 - Responsibilities for donation of hazardous materials.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... donation of hazardous materials. 101-42.302 Section 101-42.302 Public Contracts and Property Management...-Donation of Hazardous Materials and Certain Categories of Property § 101-42.302 Responsibilities for donation of hazardous materials. (a) Holding agencies. Holding agencies shall be responsible for the...

  10. 41 CFR 101-42.302 - Responsibilities for donation of hazardous materials.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... donation of hazardous materials. 101-42.302 Section 101-42.302 Public Contracts and Property Management...-Donation of Hazardous Materials and Certain Categories of Property § 101-42.302 Responsibilities for donation of hazardous materials. (a) Holding agencies. Holding agencies shall be responsible for the...

  11. Interfacial Charge Transfer States in Condensed Phase Systems

    NASA Astrophysics Data System (ADS)

    Vandewal, Koen

    2016-05-01

    Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

  12. A BPTTF-based self-assembled electron-donating triangle capable of C60 binding.

    PubMed

    Goeb, Sébastien; Bivaud, Sébastien; Dron, Paul Ionut; Balandier, Jean-Yves; Chas, Marcos; Sallé, Marc

    2012-03-25

    A kinetically stable self-assembled redox-active triangle is isolated. The resulting electron-donating cavity, which incorporates three BPTTF units, exhibits a remarkable binding ability for electron-deficient C(60), supported by a favorable combination of structural and electronic features.

  13. 41 CFR 102-37.440 - May donees acquire property for exchange?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Terms and Conditions of Donation § 102-37.440 May donees acquire...

  14. 41 CFR 102-37.440 - May donees acquire property for exchange?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Terms and Conditions of Donation § 102-37.440 May donees acquire...

  15. 48 CFR 945.603 - Abandonment, destruction or donation of excess personal property.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 5 2014-10-01 2014-10-01 false Abandonment, destruction or donation of excess personal property. 945.603 Section 945.603 Federal Acquisition Regulations... Disposal 945.603 Abandonment, destruction or donation of excess personal property. See 945.670 for DOE...

  16. 48 CFR 945.603 - Abandonment, destruction or donation of excess personal property.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 5 2013-10-01 2013-10-01 false Abandonment, destruction or donation of excess personal property. 945.603 Section 945.603 Federal Acquisition Regulations... Disposal 945.603 Abandonment, destruction or donation of excess personal property. See 945.670 for DOE...

  17. 41 CFR 102-42.120 - When may gifts or decorations be donated to State agencies?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false When may gifts or... PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.120 When may gifts or decorations be donated to State agencies? If there is...

  18. DFT/TDDFT investigation on the photophysical properties of a series of phosphorescent cyclometalated complexes based on the benchmark complex FIrpic

    NASA Astrophysics Data System (ADS)

    Han, Deming; Gong, Ping; Lv, Shuhui; Zhao, Lihui; Zhao, Henan

    2018-05-01

    The photophysical properties of four Ir(III) complexes have been investigated by means of the density functional theory/time-dependent density functional theory (DFT/TDDFT). The effect of the electron-withdrawing and electron-donating substituents on charge injection, transport, absorption and phosphorescent properties has been studied. The theoretical calculation shows that the lowest-lying singlet absorptions for complexes 1-4 are located at 387, 385, 418 and 386 nm, respectively. For 1-4, the phosphorescence at 465, 485, 494 and 478 nm is mainly attributed to the LUMO → HOMO and LUMO → HOMO-1 transition configurations characteristics. In addition, ionisation potential (IP), electron affinities (EAs) and reorganisation energy have been investigated to evaluate the charge transfer and balance properties between hole and electron. The balance of the reorganisation energies for complex 3 is better than others. The difference between hole transport and electron transport for complex 3 is the smallest among these complexes, which is beneficial to achieve the hole and electron transfer balance in emitting layer.

  19. 41 CFR 102-37.115 - May a holding agency be reimbursed for costs incurred incident to a donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... reimbursed for costs incurred incident to a donation? 102-37.115 Section 102-37.115 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.115 May a holding agency be reimbursed for costs incurred incident to a donation? Yes, you, as a holding agency, may...

  20. 41 CFR 102-37.115 - May a holding agency be reimbursed for costs incurred incident to a donation?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... reimbursed for costs incurred incident to a donation? 102-37.115 Section 102-37.115 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.115 May a holding agency be reimbursed for costs incurred incident to a donation? Yes, you, as a holding agency, may...

  1. 41 CFR 102-37.115 - May a holding agency be reimbursed for costs incurred incident to a donation?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... reimbursed for costs incurred incident to a donation? 102-37.115 Section 102-37.115 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.115 May a holding agency be reimbursed for costs incurred incident to a donation? Yes, you, as a holding agency, may...

  2. 41 CFR 102-37.115 - May a holding agency be reimbursed for costs incurred incident to a donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... reimbursed for costs incurred incident to a donation? 102-37.115 Section 102-37.115 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.115 May a holding agency be reimbursed for costs incurred incident to a donation? Yes, you, as a holding agency, may...

  3. 41 CFR 102-37.115 - May a holding agency be reimbursed for costs incurred incident to a donation?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... reimbursed for costs incurred incident to a donation? 102-37.115 Section 102-37.115 Public Contracts and... REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Holding Agency § 102-37.115 May a holding agency be reimbursed for costs incurred incident to a donation? Yes, you, as a holding agency, may...

  4. 41 CFR 102-37.535 - What information must FAA provide to GSA on its administration of the public airport donation...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... FAA provide to GSA on its administration of the public airport donation program? 102-37.535 Section... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.535 What information must FAA provide to GSA on its administration of...

  5. 41 CFR 102-37.535 - What information must FAA provide to GSA on its administration of the public airport donation...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... FAA provide to GSA on its administration of the public airport donation program? 102-37.535 Section... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.535 What information must FAA provide to GSA on its administration of...

  6. 41 CFR 102-37.535 - What information must FAA provide to GSA on its administration of the public airport donation...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... FAA provide to GSA on its administration of the public airport donation program? 102-37.535 Section... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.535 What information must FAA provide to GSA on its administration of...

  7. 41 CFR 102-37.535 - What information must FAA provide to GSA on its administration of the public airport donation...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... FAA provide to GSA on its administration of the public airport donation program? 102-37.535 Section... (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Airports § 102-37.535 What information must FAA provide to GSA on its administration of...

  8. Quantitative studies on structure-DPPH• scavenging activity relationships of food phenolic acids.

    PubMed

    Jing, Pu; Zhao, Shu-Juan; Jian, Wen-Jie; Qian, Bing-Jun; Dong, Ying; Pang, Jie

    2012-11-01

    Phenolic acids are potent antioxidants, yet the quantitative structure-activity relationships of phenolic acids remain unclear. The purpose of this study was to establish 3D-QSAR models able to predict phenolic acids with high DPPH• scavenging activity and understand their structure-activity relationships. The model has been established by using a training set of compounds with cross-validated q2 = 0.638/0.855, non-cross-validated r2 = 0.984/0.986, standard error of estimate = 0.236/0.216, and F = 139.126/208.320 for the best CoMFA/CoMSIA models. The predictive ability of the models was validated with the correlation coefficient r2(pred) = 0.971/0.996 (>0.6) for each model. Additionally, the contour map results suggested that structural characteristics of phenolics acids favorable for the high DPPH• scavenging activity might include: (1) bulky and/or electron-donating substituent groups on the phenol ring; (2) electron-donating groups at the meta-position and/or hydrophobic groups at the meta-/ortho-position; (3) hydrogen-bond donor/electron-donating groups at the ortho-position. The results have been confirmed based on structural analyses of phenolic acids and their DPPH• scavenging data from eight recent publications. The findings may provide deeper insight into the antioxidant mechanisms and provide useful information for selecting phenolic acids for free radical scavenging properties.

  9. 41 CFR 102-75.1020 - Are public bodies ever required to pay the disposal costs associated with donated property?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false Are public bodies ever... Bodies Disposal Costs § 102-75.1020 Are public bodies ever required to pay the disposal costs associated with donated property? Yes, any public body receiving donated improvements on land or related personal...

  10. 41 CFR 102-75.1020 - Are public bodies ever required to pay the disposal costs associated with donated property?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false Are public bodies ever... Bodies Disposal Costs § 102-75.1020 Are public bodies ever required to pay the disposal costs associated with donated property? Yes, any public body receiving donated improvements on land or related personal...

  11. 49 CFR 24.108 - Donations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 1 2010-10-01 2010-10-01 false Donations. 24.108 Section 24.108 Transportation Office of the Secretary of Transportation UNIFORM RELOCATION ASSISTANCE AND REAL PROPERTY ACQUISITION FOR FEDERAL AND FEDERALLY-ASSISTED PROGRAMS Real Property Acquisition § 24.108 Donations. An owner whose real...

  12. 49 CFR 24.108 - Donations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 1 2012-10-01 2012-10-01 false Donations. 24.108 Section 24.108 Transportation Office of the Secretary of Transportation UNIFORM RELOCATION ASSISTANCE AND REAL PROPERTY ACQUISITION FOR FEDERAL AND FEDERALLY-ASSISTED PROGRAMS Real Property Acquisition § 24.108 Donations. An owner whose real...

  13. 49 CFR 24.108 - Donations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 1 2011-10-01 2011-10-01 false Donations. 24.108 Section 24.108 Transportation Office of the Secretary of Transportation UNIFORM RELOCATION ASSISTANCE AND REAL PROPERTY ACQUISITION FOR FEDERAL AND FEDERALLY-ASSISTED PROGRAMS Real Property Acquisition § 24.108 Donations. An owner whose real...

  14. 49 CFR 24.108 - Donations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 1 2014-10-01 2014-10-01 false Donations. 24.108 Section 24.108 Transportation Office of the Secretary of Transportation UNIFORM RELOCATION ASSISTANCE AND REAL PROPERTY ACQUISITION FOR FEDERAL AND FEDERALLY-ASSISTED PROGRAMS Real Property Acquisition § 24.108 Donations. An owner whose real...

  15. 49 CFR 24.108 - Donations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 1 2013-10-01 2013-10-01 false Donations. 24.108 Section 24.108 Transportation Office of the Secretary of Transportation UNIFORM RELOCATION ASSISTANCE AND REAL PROPERTY ACQUISITION FOR FEDERAL AND FEDERALLY-ASSISTED PROGRAMS Real Property Acquisition § 24.108 Donations. An owner whose real...

  16. 41 CFR 102-37.450 - What agreements must a donee make?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Terms and Conditions of Donation § 102-37.450 What agreements must a donee...

  17. Acceptor number-dependent ultrafast photo-physical properties of push-pull chromophores using time-resolved methods

    NASA Astrophysics Data System (ADS)

    Chi, Xiao-Chun; Wang, Ying-Hui; Gao, Yu; Sui, Ning; Zhang, Li-Quan; Wang, Wen-Yan; Lu, Ran; Ji, Wen-Yu; Yang, Yan-Qiang; Zhang, Han-Zhuang

    2018-04-01

    Three push-pull chromophores comprising a triphenylamine (TPA) as electron-donating moiety and functionalized β-diketones as electron acceptor units are studied by various spectroscopic techniques. The time-correlated single-photon counting data shows that increasing the number of electron acceptor units accelerates photoluminescence relaxation rate of compounds. Transient spectra data shows that intramolecular charge transfer (ICT) takes place from TPA units to β-diketones units after photo-excitation. Increasing the number of electron acceptor units would prolong the generation process of ICT state, and accelerate the excited molecule reorganization process and the relaxation process of ICT state.

  18. Blue emitting 1,8-naphthalimides with electron transport properties for organic light emitting diode applications

    NASA Astrophysics Data System (ADS)

    Ulla, Hidayath; Kiran, M. Raveendra; Garudachari, B.; Ahipa, T. N.; Tarafder, Kartick; Adhikari, Airody Vasudeva; Umesh, G.; Satyanarayan, M. N.

    2017-09-01

    In this article, the synthesis, characterization and use of two novel naphthalimides as electron-transporting emitter materials for organic light emitting diode (OLED) applications are reported. The molecules were obtained by substituting electron donating chloro-phenoxy group at the C-4 position. A detailed optical, thermal, electrochemical and related properties were systematically studied. Furthermore, theoretical calculations (DFT) were performed to get a better understanding of the electronic structures. The synthesized molecules were used as electron transporters and emitters in OLEDs with three different device configurations. The devices with the molecules showed blue emission with efficiencies of 1.89 cdA-1, 0.98 lmW-1, 0.71% at 100 cdm-2. The phosphorescent devices with naphthalimides as electron transport materials displayed better performance in comparison to the device without any electron transporting material and were analogous with the device using standard electron transporting material, Alq3. The results demonstrate that the naphthalimides could play a significant part in the progress of OLEDs.

  19. Water-soluble cationic conjugated polymers: response to electron-rich bioanalytes.

    PubMed

    Rochat, Sébastien; Swager, Timothy M

    2013-11-27

    We report the concise synthesis of a symmetrical monomer that provides a head-to-head pyridine building block for the preparation of cationic conjugated polymers. The obtained poly(pyridinium-phenylene) polymers display appealing properties such as high electron affinity, charge-transport upon n-doping, and optical response to electron-donating analytes. A simple assay for the optical detection of low micromolar amounts of a variety of analytes in aqueous solution was developed. In particular, caffeine could be measured at a 25 μM detection limit. The reported polymers are also suitable for layer-by-layer film formation.

  20. 77 FR 15759 - Information Collection; Federal Management Regulation; GSA Form 3040, State Agency Monthly...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-16

    ...] Information Collection; Federal Management Regulation; GSA Form 3040, State Agency Monthly Donation Report of... regarding GSA Form 3040, State Agency Monthly Donation Report of Surplus Property. Public comments are..., State Agency Monthly Donation Report of Surplus Personal Property by any of the following methods...

  1. 22 CFR 518.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... applicable cost principles. If a Federal awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property...

  2. 22 CFR 518.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... applicable cost principles. If a Federal awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property...

  3. 22 CFR 518.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... applicable cost principles. If a Federal awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property...

  4. 22 CFR 518.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... applicable cost principles. If a Federal awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property...

  5. 22 CFR 518.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... applicable cost principles. If a Federal awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property...

  6. Ambient Carbon Dioxide Capture Using Boron-Rich Porous Boron Nitride: A Theoretical Study.

    PubMed

    Li, Lanlan; Liu, Yan; Yang, Xiaojing; Yu, Xiaofei; Fang, Yi; Li, Qiaoling; Jin, Peng; Tang, Chengchun

    2017-05-10

    The development of highly efficient sorbent materials for CO 2 capture under ambient conditions is of great importance for reducing the impact of CO 2 on the environment and climate change. In this account, strong CO 2 adsorption on a boron antisite (B N ) in boron-rich porous boron nitrides (p-BN) was developed and studied. The results indicated that the material achieved larger adsorption energies of 2.09 eV (201.66 kJ/mol, PBE-D). The electronic structure calculations suggested that the introduction of B N in p-BN induced defect electronic states in the energy gap region, which strongly impacted the adsorption properties of the material. The bonding between the B N defect and the CO 2 molecule was clarified, and it was found that the electron donation first occurred from CO 2 to the B N double-acceptor state then, followed by electron back-donation from B N to CO 2 accompanied by the formation of a B N -C bond. The thermodynamic properties indicated that the adsorption of CO 2 on the B N defect to form anionic CO 2 δ- species was spontaneous at temperatures below 350 K. Both the large adsorption energies and the thermodynamic properties ensured that p-BN with a B N defect could effectively capture CO 2 under ambient conditions. Finally, to evaluate the energetic stability, the defect formation energies were estimated. The formation energy of the B N defects was found to strongly depend on the chemical environment, and the selection of different reactants (B or N sources) would achieve the goal of reducing the formation energy. These findings provided a useful guidance for the design and fabrication of a porous BN sorbent for CO 2 capture.

  7. Synthesis, characterization and nonlinear optical properties of symmetrically substituted dibenzylideneacetone derivatives

    NASA Astrophysics Data System (ADS)

    Sunil Kumar Reddy, N.; Badam, Rajashekar; Sattibabu, Romala; Molli, Muralikrishna; Sai Muthukumar, V.; Siva Sankara Sai, S.; Rao, G. Nageswara

    2014-11-01

    We report here the nonlinear optical (NLO) properties of eight bis-chalcones of D-π-A-π-D type. These dibenzylideneacetone (DBA) derivatives are synthesized by Claisen-Schmidt reaction. The compounds are characterized by UV-vis, FTIR, 1H NMR, 13C NMR, mass spectroscopy and powder XRD. By substituting different groups (electron withdrawing and electron donating) at 'para' and 'meta' positions of the aromatic ring, we observed an enhancement in second harmonic generation with substitution at 'para' position. These compounds have also showed higher two-photon absorption compared to other chalcones reported in literature. These compounds, exhibiting both second and third order NLO effects, are plausible candidate materials in photonic devices.

  8. Exceptionally Strong Electron-Donating Ability of Bora-Ylide Substituent vis-à-vis Silylene and Silylium Ion.

    PubMed

    Rosas-Sánchez, Alfredo; Alvarado-Beltran, Isabel; Baceiredo, Antoine; Saffon-Merceron, Nathalie; Massou, Stéphane; Branchadell, Vicenç; Kato, Tsuyoshi

    2017-08-21

    Electropositive boron-based substituent (phosphonium bora-ylide) with an exceptionally strong π- and σ-electron donating character dramatically increases the stability of a new type of N-heterocyclic silylene 2 featuring amino- and bora-ylide-substituents. Moreover, the related silylium ion 4 and transition-metal-silylene complexes, with trigonal-planar geometries around the silicon center, are also well stabilized. Therefore, the N,B-heterocyclic silylene 2 can be used as a strongly electron-donating innocent ligand in coordination chemistry similarly to N-heterocyclic carbenes. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. 77 FR 39494 - Submission for OMB Review; Federal Management Regulation; GSA Form 3040, State Agency Monthly...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-03

    ...] Submission for OMB Review; Federal Management Regulation; GSA Form 3040, State Agency Monthly Donation Report... collection requirement regarding GSA Form 3040, State Agency Monthly Donation Report of Surplus Property. A... Information Collection 3090- 0112, State Agency Monthly Donation Report of Surplus Personal Property by any of...

  10. 41 CFR 102-37.485 - What actions must a SASP take if a review or other information indicates noncompliance with...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... take if a review or other information indicates noncompliance with donation terms and conditions? 102... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit...

  11. 41 CFR 101-42.1102 - Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 2 2010-07-01 2010-07-01 true Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous materials and certain categories of..., donation, sale, and abandonment or destruction of hazardous materials and certain categories of property. ...

  12. 41 CFR 102-37.485 - What actions must a SASP take if a review or other information indicates noncompliance with...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... take if a review or other information indicates noncompliance with donation terms and conditions? 102... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit...

  13. 41 CFR 102-37.485 - What actions must a SASP take if a review or other information indicates noncompliance with...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... take if a review or other information indicates noncompliance with donation terms and conditions? 102... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit...

  14. 41 CFR 102-37.485 - What actions must a SASP take if a review or other information indicates noncompliance with...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... take if a review or other information indicates noncompliance with donation terms and conditions? 102... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit...

  15. 41 CFR 101-42.1102 - Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 41 Public Contracts and Property Management 2 2014-07-01 2012-07-01 true Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous materials and certain categories of..., donation, sale, and abandonment or destruction of hazardous materials and certain categories of property. ...

  16. 41 CFR 102-37.485 - What actions must a SASP take if a review or other information indicates noncompliance with...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... take if a review or other information indicates noncompliance with donation terms and conditions? 102... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit...

  17. 41 CFR 101-42.1102 - Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 2 2013-07-01 2012-07-01 true Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous materials and certain categories of..., donation, sale, and abandonment or destruction of hazardous materials and certain categories of property. ...

  18. 41 CFR 101-42.1102 - Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 41 Public Contracts and Property Management 2 2012-07-01 2012-07-01 false Special requirements for utilization, donation, sale, and abandonment or destruction of hazardous materials and certain categories of..., donation, sale, and abandonment or destruction of hazardous materials and certain categories of property. ...

  19. 41 CFR 102-42.120 - When may gifts or decorations be donated to State agencies?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts... may make the gifts or decorations available for donation to State agencies under this subpart and part...

  20. 41 CFR 102-42.120 - When may gifts or decorations be donated to State agencies?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts... may make the gifts or decorations available for donation to State agencies under this subpart and part...

  1. 41 CFR 102-42.120 - When may gifts or decorations be donated to State agencies?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts... may make the gifts or decorations available for donation to State agencies under this subpart and part...

  2. 41 CFR 102-42.120 - When may gifts or decorations be donated to State agencies?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts... may make the gifts or decorations available for donation to State agencies under this subpart and part...

  3. 39 CFR 777.51 - Acceptance of donations.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Acceptance of donations. 777.51 Section 777.51... ACQUISITION POLICIES Donations § 777.51 Acceptance of donations. Nothing in these regulations shall prevent a person from making a gift or donation of real property or any part thereof, or any interest therein, or...

  4. 45 CFR 2544.150 - How will accepted donations be recorded and used?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false How will accepted donations be recorded and used... FOR NATIONAL AND COMMUNITY SERVICE SOLICITATION AND ACCEPTANCE OF DONATIONS § 2544.150 How will accepted donations be recorded and used? (a) All accepted donations of money and other property will be...

  5. 45 CFR 2544.150 - How will accepted donations be recorded and used?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 4 2012-10-01 2012-10-01 false How will accepted donations be recorded and used... FOR NATIONAL AND COMMUNITY SERVICE SOLICITATION AND ACCEPTANCE OF DONATIONS § 2544.150 How will accepted donations be recorded and used? (a) All accepted donations of money and other property will be...

  6. 45 CFR 2544.150 - How will accepted donations be recorded and used?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 4 2013-10-01 2013-10-01 false How will accepted donations be recorded and used... FOR NATIONAL AND COMMUNITY SERVICE SOLICITATION AND ACCEPTANCE OF DONATIONS § 2544.150 How will accepted donations be recorded and used? (a) All accepted donations of money and other property will be...

  7. 39 CFR 777.51 - Acceptance of donations.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 39 Postal Service 1 2013-07-01 2013-07-01 false Acceptance of donations. 777.51 Section 777.51... ACQUISITION POLICIES Donations § 777.51 Acceptance of donations. Nothing in these regulations shall prevent a person from making a gift or donation of real property or any part thereof, or any interest therein, or...

  8. 39 CFR 777.51 - Acceptance of donations.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 39 Postal Service 1 2012-07-01 2012-07-01 false Acceptance of donations. 777.51 Section 777.51... ACQUISITION POLICIES Donations § 777.51 Acceptance of donations. Nothing in these regulations shall prevent a person from making a gift or donation of real property or any part thereof, or any interest therein, or...

  9. 39 CFR 777.51 - Acceptance of donations.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 39 Postal Service 1 2014-07-01 2014-07-01 false Acceptance of donations. 777.51 Section 777.51... ACQUISITION POLICIES Donations § 777.51 Acceptance of donations. Nothing in these regulations shall prevent a person from making a gift or donation of real property or any part thereof, or any interest therein, or...

  10. 39 CFR 777.51 - Acceptance of donations.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 39 Postal Service 1 2011-07-01 2011-07-01 false Acceptance of donations. 777.51 Section 777.51... ACQUISITION POLICIES Donations § 777.51 Acceptance of donations. Nothing in these regulations shall prevent a person from making a gift or donation of real property or any part thereof, or any interest therein, or...

  11. 45 CFR 2544.150 - How will accepted donations be recorded and used?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 4 2014-10-01 2014-10-01 false How will accepted donations be recorded and used... FOR NATIONAL AND COMMUNITY SERVICE SOLICITATION AND ACCEPTANCE OF DONATIONS § 2544.150 How will accepted donations be recorded and used? (a) All accepted donations of money and other property will be...

  12. 45 CFR 2544.150 - How will accepted donations be recorded and used?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false How will accepted donations be recorded and used... FOR NATIONAL AND COMMUNITY SERVICE SOLICITATION AND ACCEPTANCE OF DONATIONS § 2544.150 How will accepted donations be recorded and used? (a) All accepted donations of money and other property will be...

  13. Highly chromic, proton-responsive phenyl pyrimidones.

    PubMed

    Dhuguru, Jyothi; Gheewala, Chirag; Kumar, N S Saleesh; Wilson, James N

    2011-08-19

    Aryl pyrimidones are pharmacologically relevant compounds whose optical properties have only been partially explored. We report the synthesis and optical characterization of a series of aryl- and diaryl-2(1H)-pyrimidones. The electronic transitions of these chromophores are modulated by the extent of conjugation between the pendant phenyl ring and the pyrimidone core as well as the presence of electron-donating auxochromes. Monoprotonation of the pyrimidone ring results in large hyperchromic and bathochromic shifts as well as switching of fluorescence making these phenyl pyrimidones of interest as sensory materials. © 2011 American Chemical Society

  14. 41 CFR 102-37.570 - What type of property may a holding agency donate under this subpart?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What type of property... Abandonment/Destruction § 102-37.570 What type of property may a holding agency donate under this subpart... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

  15. 41 CFR 102-37.570 - What type of property may a holding agency donate under this subpart?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false What type of property... Abandonment/Destruction § 102-37.570 What type of property may a holding agency donate under this subpart... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

  16. 41 CFR 102-37.570 - What type of property may a holding agency donate under this subpart?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false What type of property... Abandonment/Destruction § 102-37.570 What type of property may a holding agency donate under this subpart... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

  17. 41 CFR 102-37.570 - What type of property may a holding agency donate under this subpart?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false What type of property... Abandonment/Destruction § 102-37.570 What type of property may a holding agency donate under this subpart... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

  18. 41 CFR 102-37.570 - What type of property may a holding agency donate under this subpart?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false What type of property... Abandonment/Destruction § 102-37.570 What type of property may a holding agency donate under this subpart... Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT...

  19. Thiaflavan scavenges radicals and inhibits DNA oxidation: a story from the ferrocene modification.

    PubMed

    Lai, Hai-Wang; Liu, Zai-Qun

    2014-06-23

    4-Thiaflavan is a sulfur-substituted flavonoid with a benzoxathiin scaffold. The aim of this work is to compare abilities of sulfur and oxygen atom, hydroxyl groups, and ferrocene moiety at different positions of 4-thiaflavan to trap radicals and to inhibit DNA oxidation. It is found that abilities of thiaflavans to trap radicals and to inhibit DNA oxidation are increased in the presence of ferrocene moiety and are further improved by the electron-donating group attaching to thiaflavan skeleton. It can be concluded that the ferrocene moiety plays the major role for thiaflavans to be antioxidants even in the absence of phenolic hydroxyl groups. On the other hand, the antioxidant effectiveness of phenolic hydroxyl groups in thiaflavans can be improved by the electron-donating group. The influences of sulfur and oxygen atoms in thiaflavans on the antioxidant property of para-hydroxyl group exhibit different manners when the thiaflavans are used to trap radicals and to inhibit DNA oxidation. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  20. Roles of conjugated double bonds in electron-donating capacity of sorghum grains

    USDA-ARS?s Scientific Manuscript database

    Electron-donating and metal ion complexation ability of tannins play key roles as antioxidants and in mold/bird resistance. In this study, rapid, sensitive, and nondestructive fluorescence excitation-emission (EEM) spectrophotometry was utilized to correlate structural attributes of sorghum tannins...

  1. 25 CFR 900.98 - Who takes title to excess BIA or IHS property donated to an Indian tribe or tribal organization?

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... an Indian tribe or tribal organization? 900.98 Section 900.98 Indians BUREAU OF INDIAN AFFAIRS... UNDER THE INDIAN SELF-DETERMINATION AND EDUCATION ASSISTANCE ACT Property Donation Procedures Bia and... or tribal organization? The Indian tribe or tribal organization takes title to donated excess BIA or...

  2. 25 CFR 900.98 - Who takes title to excess BIA or IHS property donated to an Indian tribe or tribal organization?

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... an Indian tribe or tribal organization? 900.98 Section 900.98 Indians BUREAU OF INDIAN AFFAIRS... UNDER THE INDIAN SELF-DETERMINATION AND EDUCATION ASSISTANCE ACT Property Donation Procedures Bia and... or tribal organization? The Indian tribe or tribal organization takes title to donated excess BIA or...

  3. 25 CFR 900.98 - Who takes title to excess BIA or IHS property donated to an Indian tribe or tribal organization?

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... an Indian tribe or tribal organization? 900.98 Section 900.98 Indians BUREAU OF INDIAN AFFAIRS... UNDER THE INDIAN SELF-DETERMINATION AND EDUCATION ASSISTANCE ACT Property Donation Procedures Bia and... or tribal organization? The Indian tribe or tribal organization takes title to donated excess BIA or...

  4. 25 CFR 900.98 - Who takes title to excess BIA or IHS property donated to an Indian tribe or tribal organization?

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... an Indian tribe or tribal organization? 900.98 Section 900.98 Indians BUREAU OF INDIAN AFFAIRS... UNDER THE INDIAN SELF-DETERMINATION AND EDUCATION ASSISTANCE ACT Property Donation Procedures Bia and... or tribal organization? The Indian tribe or tribal organization takes title to donated excess BIA or...

  5. 36 CFR 1254.92 - How do I submit a request to microfilm records and donated historical materials?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 36 Parks, Forests, and Public Property 3 2014-07-01 2014-07-01 false How do I submit a request to microfilm records and donated historical materials? 1254.92 Section 1254.92 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION PUBLIC AVAILABILITY AND USE USING RECORDS AND DONATED...

  6. 36 CFR 1254.92 - How do I submit a request to microfilm records and donated historical materials?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 3 2012-07-01 2012-07-01 false How do I submit a request to microfilm records and donated historical materials? 1254.92 Section 1254.92 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION PUBLIC AVAILABILITY AND USE USING RECORDS AND DONATED...

  7. 48 CFR 31.205-8 - Contributions or donations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... GENERAL CONTRACTING REQUIREMENTS CONTRACT COST PRINCIPLES AND PROCEDURES Contracts With Commercial Organizations 31.205-8 Contributions or donations. Contributions or donations, including cash, property and...

  8. 41 CFR 102-42.125 - How is donation of gifts or decorations accomplished?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false How is donation of gifts... 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.125 How is donation of gifts or decorations accomplished? The State Agencies for Surplus...

  9. 41 CFR 102-42.125 - How is donation of gifts or decorations accomplished?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false How is donation of gifts... 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.125 How is donation of gifts or decorations accomplished? The State Agencies for Surplus...

  10. 41 CFR 102-42.130 - Are there special requirements for the donation of gifts and decorations?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... requirements for the donation of gifts and decorations? 102-42.130 Section 102-42.130 Public Contracts and... REGULATION PERSONAL PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.130 Are there special requirements for the donation of...

  11. 41 CFR 102-42.130 - Are there special requirements for the donation of gifts and decorations?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... requirements for the donation of gifts and decorations? 102-42.130 Section 102-42.130 Public Contracts and... REGULATION PERSONAL PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.130 Are there special requirements for the donation of...

  12. 41 CFR 102-42.125 - How is donation of gifts or decorations accomplished?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false How is donation of gifts... 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.125 How is donation of gifts or decorations accomplished? The State Agencies for Surplus...

  13. 41 CFR 102-42.130 - Are there special requirements for the donation of gifts and decorations?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... requirements for the donation of gifts and decorations? 102-42.130 Section 102-42.130 Public Contracts and... REGULATION PERSONAL PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.130 Are there special requirements for the donation of...

  14. 41 CFR 102-42.125 - How is donation of gifts or decorations accomplished?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false How is donation of gifts... 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.125 How is donation of gifts or decorations accomplished? The State Agencies for Surplus...

  15. 41 CFR 102-42.130 - Are there special requirements for the donation of gifts and decorations?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... requirements for the donation of gifts and decorations? 102-42.130 Section 102-42.130 Public Contracts and... REGULATION PERSONAL PROPERTY 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.130 Are there special requirements for the donation of...

  16. 41 CFR 102-42.125 - How is donation of gifts or decorations accomplished?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false How is donation of gifts... 42-UTILIZATION, DONATION, AND DISPOSAL OF FOREIGN GIFTS AND DECORATIONS Donation of Foreign Gifts and Decorations § 102-42.125 How is donation of gifts or decorations accomplished? The State Agencies for Surplus...

  17. Health content analysis of organ donation and transplantation news on Turkish television channels and in Turkish print media.

    PubMed

    Colak, M Yavuz; Hekimoglu, D; Ersoy, K; Sozen, F; Haberal, M

    2010-01-01

    The media affects individuals' behaviors, especially by means of news and advertisements. In this study, we evaluated health content of organ donation and transplantation news in the printed media and on television programs for a 1-year period in Turkey. We examined 2449 news items in 230 newspapers and magazines; 1179 news programs on 45 television channels, all concerning organ donation and transplantation. The news obtained from the Media Pursuit Center were transferred to an electronic file to evaluate the format and content of the news. Nine variables were examined about the scope and the formal characteristics of the news: the publication name, its type, the province, the date, the headline, the title length, the presence of a photograph, or its kind, the news size, and the page number. In the content analysis of the news, we also examined 9 variables: the topic, the message of the headline, the property of the words in the title, the identification of photographs in the news, the age, gender of actors in the news, as well as donor or recipient. In a summary, print media and television channels, failed to show sufficient information about organ donation and transplantation. The percentage of news about organ donation and transplantation was small and mostly negative items in the media. On television channels, sufficient place was not given to organ donation and transplantation. The news in printed media and on television channels was not about motivated or altruistic behavior. The pattern of organ donation and transplantation news is important in terms of perception and comment by the public. Furthermore it directly affects the perception of the news by the reader.

  18. 48 CFR 31.205-8 - Contributions or donations.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 1 2013-10-01 2013-10-01 false Contributions or donations. 31.205-8 Section 31.205-8 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... Organizations 31.205-8 Contributions or donations. Contributions or donations, including cash, property and...

  19. 48 CFR 31.205-8 - Contributions or donations.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 1 2014-10-01 2014-10-01 false Contributions or donations. 31.205-8 Section 31.205-8 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... Organizations 31.205-8 Contributions or donations. Contributions or donations, including cash, property and...

  20. 48 CFR 31.205-8 - Contributions or donations.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Contributions or donations. 31.205-8 Section 31.205-8 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... Organizations 31.205-8 Contributions or donations. Contributions or donations, including cash, property and...

  1. 48 CFR 31.205-8 - Contributions or donations.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 1 2012-10-01 2012-10-01 false Contributions or donations. 31.205-8 Section 31.205-8 Federal Acquisition Regulations System FEDERAL ACQUISITION REGULATION... Organizations 31.205-8 Contributions or donations. Contributions or donations, including cash, property and...

  2. 28 CFR 70.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... the Department authorizes recipients to donate buildings or land for construction/facilities... donation. (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  3. 28 CFR 70.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... the Department authorizes recipients to donate buildings or land for construction/facilities... donation. (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  4. 28 CFR 70.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... the Department authorizes recipients to donate buildings or land for construction/facilities... donation. (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  5. 28 CFR 70.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... the Department authorizes recipients to donate buildings or land for construction/facilities... donation. (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  6. 28 CFR 70.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... the Department authorizes recipients to donate buildings or land for construction/facilities... donation. (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  7. 23 CFR 710.505 - Real property donations.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ...-aid project may donate the property to the STD. Prior to accepting the property, the owner must be... be informed of his/her right to an appraisal of the property by a qualified appraiser, unless the STD... STD shall develop sufficient documentation to indicate compliance with paragraph (a) of this section...

  8. 23 CFR 710.505 - Real property donations.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ...-aid project may donate the property to the STD. Prior to accepting the property, the owner must be... be informed of his/her right to an appraisal of the property by a qualified appraiser, unless the STD... STD shall develop sufficient documentation to indicate compliance with paragraph (a) of this section...

  9. 23 CFR 710.505 - Real property donations.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ...-aid project may donate the property to the STD. Prior to accepting the property, the owner must be... be informed of his/her right to an appraisal of the property by a qualified appraiser, unless the STD... STD shall develop sufficient documentation to indicate compliance with paragraph (a) of this section...

  10. Effects of shape, size, and pyrene doping on electronic properties of graphene nanoflakes.

    PubMed

    Kuamit, Thanawit; Ratanasak, Manussada; Rungnim, Chompoonut; Parasuk, Vudhichai

    2017-11-25

    Effects of size, shape, and pyrene doping on electronic properties of graphene nanoflakes (GNFs) were theoretically investigated using density functional theory method with PBE, B3PW91, and M06-2X functionals and cc-pVDZ basis set. Two shapes of zigzag GNFs, hexagonal (HGN) and rhomboidal (RGN), were considered. The energy band gap of GNF depends on shape and decreases with size. The HGN has larger band gap energy (1.23-3.96 eV) than the RGN (0.13-2.12 eV). The doping of pyrene and pyrene derivatives on both HGN and RGN was also studied. The adsorption energy of pyrene and pyrene derivatives on GNF does not depend on the shape of GNFs with energies between 21 and 27 kcal mol -1 . The substituent on pyrene enhances the binding to GNF but the strength does not depend on electron withdrawing or donating capability. The doping by pyrene and pyrene derivatives also shifts the HOMO and LUMO energies of GNFs. Both positive (destabilizing) and negative (stabilizing) shifts on HOMO and LUMO of GNFs were seen. The direction and magnitude of the shift do not follow the electron withdrawing and donating capability of pyrene substituents. However, only a slight shift was observed for doped RGN. A shift of 0.19 eV was noticed for HOMO of HGN doped with 1-aminopyrene (pyNH 2 ) and of 0.04 eV for LUMO of HGN doped with 1-pyrenecarboxylic acid (pyCOOH). Graphical Abstract HOMO and LUMO Energies of pyrene/pyrene derivatives doped Graphene Nanoflakes.

  11. 41 CFR 102-37.405 - How often must a SASP update donee eligibility records?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities.... Annually, you must update files for nonprofit organizations whose eligibility depends on annual...

  12. 41 CFR 102-37.405 - How often must a SASP update donee eligibility records?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities.... Annually, you must update files for nonprofit organizations whose eligibility depends on annual...

  13. Squaraine dyes as efficient coupling bridges between triarylamine redox centres.

    PubMed

    Völker, Sebastian F; Renz, Manuel; Kaupp, Martin; Lambert, Christoph

    2011-12-09

    Various indolenine squarylium dyes with additional electron-donating amine redox centres have been synthesised and their redox chemistry has been studied. A combination of cyclic voltammetry, spectro-electrochemistry and DFT calculations has been used to characterise the electronic structure of the mono-, di- and, in one case, trications. All monocations still retain the cyanine-like, delocalised character due to the relatively low redox potential of the squaraine bridge and are therefore compounds of Robin-Day class III. Thus we extended previous studies on organic mixed-valence systems by using the indolenine squaraine moiety as very electron-rich bridge between two electron-donating amine redox centres to provoke a strong coupling between the additional redox centres. We synthesised TA3, which has an N-N distance of 26 bonds between the triarylamine redox centres and is to our knowledge the longest bis(triarylamine) radical cation that is completely delocalised. We furthermore show that altering the symmetry of a squaraine dye by substitution of a squaric ring oxygen atom by a dicyanomethylene group has a direct impact on the optical properties of the monocations. In case of the dications, it turned out that the energetically most stable state of dianisylamine-substituted squaraines is an anti-ferromagnetically coupled open-shell singlet state. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 36 CFR § 1254.92 - How do I submit a request to microfilm records and donated historical materials?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 36 Parks, Forests, and Public Property 3 2013-07-01 2012-07-01 true How do I submit a request to microfilm records and donated historical materials? § 1254.92 Section § 1254.92 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION PUBLIC AVAILABILITY AND USE USING RECORDS AND DONATED...

  15. 76 FR 61145 - Proposed Collection; Comment Request for Form 8899

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-03

    ... 8899, Notice of Income Donated Intellectual Property. DATES: Written comments should be received on or....gov . SUPPLEMENTARY INFORMATION: Title: Notice of Income Donated Intellectual Property. OMB Number... of intellectual property if the donor provides timely notice. The initial deduction is limited to the...

  16. Donors' blood group declaration before donation can be used as a tool for electronic crossmatching.

    PubMed

    Arslan, O

    2005-12-01

    Electronic crossmatching (E-XM) is used to detect ABO incompatibility. In developing countries, as many of the donations are from first-time donors, it is difficult to guarantee the accuracy of the ABO/Rh label on these units to use them for E-XM. This problem was overcome with a new software 'hemosoft', using donors' blood group declaration before donation as a tool for E-XM. During registration, donors either declare their blood group or give no comment. For, ABO/Rh grouping, either two results from different donations or only one in concordant with the declaration before donation is needed. If there is a conflict, second typing is performed from the unit segment. If donors give no declaration, two different technicians perform typing, one from the sample tube and the other from the unit segment. Of 18,618 donations performed, 640 (3%) were repeated and the rest were first-time donations. In 16,327, typing was performed once, as the blood group declaration and the typing results were identical. In 2407, grouping was performed twice, as donors gave no declaration or conflicts between declaration and typing results were found. No labelling or wrong unit-release errors were detected in units donated, typed and labelled in our centre. In 26,402 donations, 16,314 (61.8%) E-XMs were performed. No major haemolytic transfusion reaction was recorded. Donors' ABO/Rh declaration before donation can be used as a tool for E-XM, instead of the requirement for serological confirmation or a second donation to guarantee grouping.

  17. 41 CFR 102-37.60 - How much time does a transferee have to pick up or remove surplus property from holding agency...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.60 How much time does a transferee have to pick up or remove surplus...

  18. 41 CFR 102-37.60 - How much time does a transferee have to pick up or remove surplus property from holding agency...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.60 How much time does a transferee have to pick up or remove surplus...

  19. 41 CFR 102-37.60 - How much time does a transferee have to pick up or remove surplus property from holding agency...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.60 How much time does a transferee have to pick up or remove surplus...

  20. 41 CFR 102-37.60 - How much time does a transferee have to pick up or remove surplus property from holding agency...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.60 How much time does a transferee have to pick up or remove surplus...

  1. 41 CFR 102-37.60 - How much time does a transferee have to pick up or remove surplus property from holding agency...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.60 How much time does a transferee have to pick up or remove surplus...

  2. Tuning electronic properties of graphene nanoflake polyaromatic hydrocarbon through molecular charge-transfer interactions

    NASA Astrophysics Data System (ADS)

    Sharma, Vaishali; Dabhi, Shweta D.; Shinde, Satyam; Jha, Prafulla K.

    2018-05-01

    By means of first principles calculation we have tuned the electronic properties of graphene nanoflake polyaromatic hydrocarbon via molecular charge transfer. Acceptor/donor Tetracyanoquinodimethane (TCNQ) and Tetrathiafulvalene (TTF) organic molecules are adsorbed on polyaromatic hydrocarbons (PAH) in order to introduce the charge transfer. The substrate's n- or p- type nature depends on the accepting/donating behavior of dopant molecules. Two different classes of PAH (extended form of triangulene) namely Bow-tie graphene nanoflake (BTGNF) and triangular zigzag graphene nanoflake (TZGNF). It is revealed that all the TCNQ and TTF modified graphene nanoflakes exhibit significant changes in HOMO-LUMO gap in range from 0.58 eV to 0.64 eV and 0.01 eV to 0.05 eV respectively. The adsorption energies are in the range of -0.05 kcal/mol to -2.6 kcal/mol. The change in work function is also calculated and discussed, the maximum charge transfer is for TCNQ adsorbed BTGNF. These alluring findings in the tuning of electronic properties will be advantageous for promoting graphene nanoflake polyaromatic hydrocarbon for their applications in electronic devices.

  3. 41 CFR 102-37.560 - What is a public body?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.560 What is a public body...

  4. 41 CFR 102-37.560 - What is a public body?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.560 What is a public body...

  5. 41 CFR 102-37.560 - What is a public body?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.560 What is a public body...

  6. 41 CFR 102-37.560 - What is a public body?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Bodies in Lieu of Abandonment/Destruction § 102-37.560 What is a public body...

  7. 50 CFR 12.36 - Donation or loan.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 50 Wildlife and Fisheries 1 2010-10-01 2010-10-01 false Donation or loan. 12.36 Section 12.36... SEIZURE AND FORFEITURE PROCEDURES Disposal of Forfeited or Abandoned Property § 12.36 Donation or loan. (a... and security for the item. (b) Any donation or loan may be made only after execution of a transfer...

  8. 50 CFR 12.36 - Donation or loan.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 50 Wildlife and Fisheries 1 2012-10-01 2012-10-01 false Donation or loan. 12.36 Section 12.36... SEIZURE AND FORFEITURE PROCEDURES Disposal of Forfeited or Abandoned Property § 12.36 Donation or loan. (a... and security for the item. (b) Any donation or loan may be made only after execution of a transfer...

  9. 50 CFR 12.36 - Donation or loan.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 50 Wildlife and Fisheries 1 2014-10-01 2014-10-01 false Donation or loan. 12.36 Section 12.36... SEIZURE AND FORFEITURE PROCEDURES Disposal of Forfeited or Abandoned Property § 12.36 Donation or loan. (a... and security for the item. (b) Any donation or loan may be made only after execution of a transfer...

  10. 50 CFR 12.36 - Donation or loan.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 50 Wildlife and Fisheries 1 2013-10-01 2013-10-01 false Donation or loan. 12.36 Section 12.36... SEIZURE AND FORFEITURE PROCEDURES Disposal of Forfeited or Abandoned Property § 12.36 Donation or loan. (a... and security for the item. (b) Any donation or loan may be made only after execution of a transfer...

  11. Electron doping through lithium intercalation to interstitial channels in tetrahedrally bonded SiC

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

    Sakai, Yuki; Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712; Oshiyama, Atsushi

    2015-11-07

    We report on first-principles calculations that clarify the effect of lithium atom intercalation into zinc blende 3C-silicon carbide (3C-SiC) on electronic and structural properties. Lithium atoms inside 3C-SiC are found to donate electrons to 3C-SiC that is an indication of a new way of electron doping through the intercalation. The electrons doped into the conduction band interact with lithium cations and reduce the band spacing between the original valence and conduction bands. We have also found that a silicon monovacancy in 3C-SiC promotes the lithium intercalation, showing that the vacancy generation makes SiC as a possible anode material for lithium-ionmore » battery.« less

  12. 41 CFR 102-37.455 - On what categories of surplus property has GSA imposed special handling conditions or use...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ...) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY Donations to Public Agencies, Service Educational Activities (SEAs), and Eligible Nonprofit Organizations Special... special permit issued by the Assistant Regional Commissioner of the appropriate regional office, Bureau of...

  13. Structure-Property Relationship of Phenylene-Based Self-Assembled-Monolayers for Record Low Work Function of Indium Tin Oxide.

    PubMed

    Benneckendorf, Frank S; Hillebrandt, Sabina; Ullrich, Florian; Rohnacher, Valentina; Hietzschold, Sebastian; Jänsch, Daniel; Freudenberg, Jan; Beck, Sebastian; Mankel, Eric; Jaegermann, Wolfram; Pucci, Annemarie; Bunz, Uwe H F; Müllen, Klaus

    2018-06-20

    Studying the structure-property relations of tailored dipolar phenyl and biphenylphosphonic acids we report self-assembled monolayers with a significant decrease of the work function (WF) of indium-tin oxide (ITO) electrodes. While the strengths of the dipoles are varied through the different molecular lengths and the introduction of electron-withdrawing fluorine atoms, the surface energy is kept constant through the electron-donating N,N dimethylamine head groups. The self-assembled monolayer formation and its modification of the electrodes are investigated via infrared reflection absorption spectroscopy, contact angle measurements, and photoelectron spectroscopy. The WF decrease of ITO correlates with increasing molecular dipoles. The lowest ever recorded WF of 3.7 eV is achieved with the fluorinated biphenylphosphonic acid.

  14. Theoretical Calculation of the Gas-Sensing Properties of Pt-Decorated Carbon Nanotubes

    PubMed Central

    Zhang, Xiaoxing; Dai, Ziqiang; Wei, Li; Liang, Naifeng; Wu, Xiaoqing

    2013-01-01

    The gas-sensing properties of Pt-decorated carbon nanotubes (CNTs), which provide a foundation for the fabrication of sensors, have been evaluated. In this study, we calculated the gas adsorption of Pt-decorated (8,0) single-wall CNTs (Pt-SWCNTs) with SO2, H2S, and CO using GGA/PW91 method based on density functional theory. The adsorption energies and the changes in geometric and electronic structures after absorption were comprehensively analyzed to estimate the responses of Pt-SWCNTs. Results indicated that Pt-SWCNTs can respond to the three gases. The electrical characteristics of Pt-SWCNTs show different changes after adsorption. Pt-SWCNTs donate electrons and increase the number of hole carriers after adsorbing SO2, thereby enhancing its conductivity. When H2S is adsorbed on CNTs, electrons are transferred from H2S to Pt-SWCNTs, converting Pt-SWCNTs from p-type to n-type sensors with improved conductivity. However, Pt-SWCNTs obtain electrons and show decreased conductivity when reacted with CO gas. PMID:24201317

  15. Neither property right nor heroic gift, neither sacrifice nor aporia: the benefit of the theoretical lens of sharing in donation ethics.

    PubMed

    Zeiler, Kristin

    2014-05-01

    Two ethical frameworks have dominated the discussion of organ donation for long: that of property rights and that of gift-giving. However, recent years have seen a drastic rise in the number of philosophical analyses of the meaning of giving and generosity, which has been mirrored in ethical debates on organ donation and in critical sociological, anthropological and ethnological work on the gift metaphor in this context. In order to capture the flourishing of this field, this article distinguishes between four frameworks for thinking about bodily exchanges in medicine: those of property rights, heroic gift-giving, sacrifice, and gift-giving as aporia. These frameworks represent four different ways of making sense of donation of organs as well as tissue, gametes and blood, draw on different conceptions of the relations between the self and the other, and bring out different ethical issues as core ones. The article presents these frameworks, argues that all of them run into difficulties when trying to make sense of reciprocity and relational interdependence in donation, and shows how the three gift-giving frameworks (of heroism, sacrifice and aporia) hang together in a critical discussion about what is at stake in organ donation. It also presents and argues in favour of an alternative intercorporeal framework of giving-through-sharing that more thoroughly explicates the gift metaphor in the context of donation, and offers tools for making sense of relational dimensions of live and post mortem donations.

  16. 41 CFR 102-37.40 - What type of surplus property is available for donation?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... working capital funds established under 10 U.S.C. 2208 or in similar funds) is available for donation to... with trust funds (e.g., Social Security Trust Funds). (c) Non-appropriated fund property. (d) Naval...

  17. 41 CFR 102-37.40 - What type of surplus property is available for donation?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... working capital funds established under 10 U.S.C. 2208 or in similar funds) is available for donation to... with trust funds (e.g., Social Security Trust Funds). (c) Non-appropriated fund property. (d) Naval...

  18. On irreversible adsorption of electron-donating compounds in aqueous solution

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

    Tamon, Hajime; Atsushi, Masanori; Okazaki, Morio

    Activated carbons and synthetic adsorbents have been used for liquid purification and wastewater treatment. The feasibility of an adsorption process depends greatly on the cost of regeneration of spent adsorbents. If irreversible adsorption occurs, regeneration of spent adsorbent is very difficult. Hence, it is very important to understand why irreversible adsorption appears in aqueous solution. In the adsorption of electron-donating compounds such as phenol, aniline, L-phenylalanine, and L-tyrosine from aqueous solution, irreversibility was observed on activated carbon and graphite. The compounds, except L-tyrosine, were reversibly adsorbed on a synthetic adsorbent. In the case where the carbonaceous adsorbents contacted the aqueousmore » solution containing electron-donating compounds for a long time, the irreversible amount adsorbed increased with the contact time. A two-state adsorption model was used to explain why the irreversible adsorption of electron-donating compound appears in aqueous solution. First, the compound is adsorbed in the precursor state for irreversible adsorption, and then moves into its irreversible state over a potential energy barrier after a long contact time. The appearance of irreversible adsorption was qualitatively explained by the two-state adsorption model.« less

  19. Efficient Syntheses of Novel Fluoro-Substituted Pentacenes and Azapentacenes: Molecular and Solid-State Properties.

    PubMed

    Schwaben, Jonas; Münster, Niels; Klues, Michael; Breuer, Tobias; Hofmann, Philipp; Harms, Klaus; Witte, Gregor; Koert, Ulrich

    2015-09-21

    Non-symmetrical 6,13-disubstituted pentacenes bearing trifluoromethyl and aryl substituents have been synthesized starting from pentacenequinone. Diazapentacenes with a variety of fluorine substituents were prepared either via a Hartwig-Buchwald aryl amination route or by a SNAr strategy. As a result of a non-symmetric substitution pattern containing electron-donating substituents in combination with electron-accepting fluorine substituents, the synthesized compounds feature distinct molecular dipoles. All compounds are analyzed regarding their optoelectronic properties in solution with special focus on the frontier orbital energies as well as their molecular packing in the crystal structures. The analyses of isolated molecules are complemented by thin-film studies to examine their solid-state properties. A precise comparison between these and the molecular properties gave detailed insights into the exciton binding energies of these compounds, which are explained by means of a simple model considering the molecular packing and polarizabilities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 41 CFR 102-37.70 - How should a transferee account for the receipt of a larger or smaller number of items than...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.70 How should a transferee account for the receipt...

  1. 41 CFR 102-37.70 - How should a transferee account for the receipt of a larger or smaller number of items than...

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.70 How should a transferee account for the receipt...

  2. 41 CFR 102-37.70 - How should a transferee account for the receipt of a larger or smaller number of items than...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.70 How should a transferee account for the receipt...

  3. 41 CFR 102-37.70 - How should a transferee account for the receipt of a larger or smaller number of items than...

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.70 How should a transferee account for the receipt...

  4. 41 CFR 102-37.70 - How should a transferee account for the receipt of a larger or smaller number of items than...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL PROPERTY 37-DONATION OF SURPLUS PERSONAL PROPERTY General Provisions Donation Overview § 102-37.70 How should a transferee account for the receipt...

  5. 41 CFR 102-41.230 - May SASPs pick up or store donated drug paraphernalia in their distribution centers?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false May SASPs pick up or store donated drug paraphernalia in their distribution centers? 102-41.230 Section 102-41.230 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL...

  6. Self-assembly of an electronically conductive network through microporous scaffolds.

    PubMed

    Sebastian, H Bri; Bryant, Steven L

    2017-06-15

    Electron transfer spanning significant distances through a microporous structure was established via the self-assembly of an electronically conductive iridium oxide nanowire matrix enveloping the pore walls. Microporous formations were simulated using two scaffold materials of varying physical and chemical properties; paraffin wax beads, and agar gel. Following infiltration into the micropores, iridium nanoparticles self-assembled at the pore wall/ethanol interface. Subsequently, cyclic voltammetry was employed to electrochemically crosslink the metal, erecting an interconnected, and electronically conductive metal oxide nanowire matrix. Electrochemical and spectral characterization techniques confirmed the formation of oxide nanowire matrices encompassing lengths of at least 1.6mm, 400× distances previously achieved using iridium nanoparticles. Nanowire matrices were engaged as biofuel cell anodes, where electrons were donated to the nanowires by a glucose oxidizing enzyme. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Electron transfer capacity dependence of quinone-mediated Fe(III) reduction and current generation by Klebsiella pneumoniae L17.

    PubMed

    Li, Xiaomin; Liu, Liang; Liu, Tongxu; Yuan, Tian; Zhang, Wei; Li, Fangbai; Zhou, Shungui; Li, Yongtao

    2013-06-01

    Quinone groups in exogenous electron shuttles can accelerate extracellular electron transfer (EET) from bacteria to insoluble terminal electron acceptors, such as Fe(III) oxides and electrodes, which are important in biogeochemical redox processes and microbial electricity generation. However, the relationship between quinone-mediated EET performance and electron-shuttling properties of the quinones remains incompletely characterized. This study investigates the effects of a series of synthetic quinones (SQs) on goethite reduction and current generation by a fermenting bacterium Klebsiella pneumoniae L17. In addition, the voltammetric behavior and electron transfer capacities (ETCs) of SQ, including electron accepting (EAC) and donating (EDC) capacities, is also examined using electrochemical methods. The results showed that SQ can significantly increase both the Fe(III) reduction rates and current outputs of L17. Each tested SQ reversibly accepted and donated electrons as indicated by the cyclic voltammograms. The EAC and EDC results showed that Carmine and Alizarin had low relative capacities of electron transfer, whereas 9,10-anthraquinone-2,6-disulfonic acid (AQDS), 2-hydroxy-1,4-naphthoquinone (2-HNQ), and 5-hydroxy-1,4-naphthoquinone (5-HNQ) showed stronger relative ETC, and 9,10-anthraquinone-2-carboxylic acid (AQC) and 9,10-anthraquinone-2-sulfonic acid (AQS) had high relative ETC. Enhancement of microbial goethite reduction kinetics and current outputs by SQ had a good linear relationship with their ETC, indicating that the effectiveness of quinone-mediated EET may be strongly dependent on the ETC of the quinones. Therefore, the presence of quinone compounds and fermenting microorganisms may increase the diversity of microbial populations that contribute to element transformation in natural environments. Moreover, ETC determination of different SQ would help to evaluate their performance for microbial EET under anoxic conditions. Copyright © 2013 Elsevier Ltd. All rights reserved.

  8. Knowledge, attitude and practices of people towards voluntary blood donation in Uttarakhand.

    PubMed

    Agrawal, Amit; Tiwari, Aseem K; Ahuja, Alok; Kalra, Rakesh

    2013-01-01

    Blood transfusions form a crucial and irreplaceable part in the medical management of many diseases. The collection of blood from voluntary, non-remunerated blood donors from low risk populations is an important measure for ensuring the availability and safety of blood transfusion. In a state like Uttarakhand which is visited by lakhs of visitors during pilgrimage season and where natural calamities and accidents are very common, the availability of blood is of utmost importance. To find out knowledge, attitude and practices of people towards voluntary blood donation to comprehend the situation and find ways to enhance voluntary blood donation in the state of Uttarakhand. Multi stage methodology was designed to target population including general population, influencers (doctors) and supporting organizations (camp organizers, State AIDS Control Society Officials) who were subjected to in-depth interview using pre-structured questionnaires to assess knowledge/awareness about voluntary blood donation, factors preventing and source of knowledge about voluntary blood donation. The sample population consisted of mostly men (67%) in the age-group of 26-35 years. Requirement of blood and the measures to promote voluntary blood donation have a direct relationship with the total population and literacy level of the population. Awareness about blood donation, source of knowledge about blood donation, reasons for not donating blood are particularly stressed. With increase in educational level, the awareness level was also found to increase. While among illiterates 81 percent of the respondents knew about blood donation, among the post graduates the same ratio was found to be almost cent-percent. Among various reasons cited for not donating blood, lack of awareness being the most common reason. People gathered information about blood donation from several different sources with electronic media being the most prominent. This study illustrates how increasing awareness and marketing 'Voluntary blood donation' can enhance adequacy of blood needs of a state or for that matter the entire country. This study also underlines how different media, especially electronic media, can be used to propagate altruistic blood donation.

  9. Computational Studies on Optoelectronic and Nonlinear Properties of Octaphyrin Derivatives

    PubMed Central

    Islam, Nasarul; Lone, Irfan H.

    2017-01-01

    The electronic and nonlinear optical (NLO) properties of octaphyrin derivatives were studied by employing the DFT/TDFT at CAM-B3LYP/6-311++G (2d, 2p) level of the theory. Thiophene, phenyl, methyl and cyano moieties were substituted on the molecular framework of octaphyrin core, in order to observe the change in optoelectronic and nonlinear response of these systems. The frontier molecular orbital studies and values of electron affinity reveals that the studied compounds are stable against the oxygen and moisture present in air. The calculated ionization energies, adiabatic electron affinity and reorganization energy values indicate that octaphyrin derivatives can be employed as effective n-type material for Organic Light Emitting Diodes (OLEDs). This character shows an enhancement with the introduction of an electron withdrawing group in the octaphyrin framework. The polarizability and hyperpolarizability values of octaphyrin derivatives demonstrate that they are good candidates for NLO devices. The nonlinear response of these systems shows enhancement on the introduction of electron donating groups on octaphyrin moiety. However, these claims needs further experimental verification. PMID:28321394

  10. 2 CFR 215.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  11. 41 CFR 105-72.303 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  12. 41 CFR 105-72.303 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  13. 43 CFR 12.923 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... to acquire equipment, buildings, or land, the total value of the donated property may be claimed as.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  14. 22 CFR 226.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... accordance with the applicable cost principles. If USAID authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  15. 22 CFR 226.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... accordance with the applicable cost principles. If USAID authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  16. 43 CFR 12.923 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... to acquire equipment, buildings, or land, the total value of the donated property may be claimed as.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  17. 43 CFR 12.923 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... to acquire equipment, buildings, or land, the total value of the donated property may be claimed as.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  18. 43 CFR 12.923 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... to acquire equipment, buildings, or land, the total value of the donated property may be claimed as.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  19. 41 CFR 105-72.303 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  20. 22 CFR 226.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... accordance with the applicable cost principles. If USAID authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  1. 41 CFR 105-72.303 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  2. 41 CFR 105-72.303 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... the acquisition of equipment, buildings or land, the total value of the donated property may be...

  3. 43 CFR 12.923 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... to acquire equipment, buildings, or land, the total value of the donated property may be claimed as.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  4. 22 CFR 226.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... accordance with the applicable cost principles. If USAID authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  5. Spying on the neighbors' pool

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

    Xantheas, S. S.

    2016-12-01

    The structure and properties of the aqueous proton is of fundamental interest in many areas of chemistry and biology. Acids and bases are molecules that are able to transfer (donate / accept) a proton according to Brønsted and Lowry, a process that was further explained by Lewis in terms of changes in their electronic structure in an attempt to offer a generalization of the Arrhenius theory. Simple proton transfers or the ones coupled to an electron transfer determine speciation, valence and reactivity in aqueous media and explain electrochemical processes, while voltage-gated proton channels have severe implications to the function ofmore » a number of tissues and species.« less

  6. Synthesis, computational, and spectroscopic analysis of tunable highly fluorescent BN-1,2-azaborine derivatives containing the N-BOH moiety.

    PubMed

    Saint-Louis, Carl Jacky; Shavnore, Renée N; McClinton, Caleb D C; Wilson, Julie A; Magill, Lacey L; Brown, Breanna M; Lamb, Robert W; Webster, Charles Edwin; Schrock, Alan K; Huggins, Michael T

    2017-12-13

    Nine new polycyclic aromatic BN-1,2-azaborine analogues containing the N-BOH moiety were synthesized using a convenient two-step, one-pot procedure. Characterization of the prepared compounds show the luminescence wavelength and the quantum yields of the azaborines were tunable by controlling the power and location of the donor and acceptor substituents on the chromophore. UV-visible spectroscopy and density functional theory (DFT) computations revealed that the addition of electron-donating moieties to the isoindolinone hemisphere raised the energy of the HOMO, resulting in the reduction of the HOMO-LUMO gap. The addition of an electron-accepting moiety to the isoindolinone hemisphere and an electron-donating group to the boronic acid hemisphere decreased the HOMO-LUMO gap considerably, leading to emission properties from partial intramolecular charge transfer (ICT) states. The combined effect of an acceptor on the isoindolinone side and a donor on the boronic acid side (strong acceptor-π-donor) gave the most red-shifted absorption. The polycyclic aromatic BN-1,2-azaborines emitted strong fluorescence in solution and in the solid-state with the largest red-shifted emission at 640 nm and a Stokes shift of Δλ = 218 nm, or Δν = 8070 cm -1 .

  7. Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method

    NASA Astrophysics Data System (ADS)

    Manaa, M. Riad

    2017-06-01

    Adiabatic ionization potentials (IPad) and electron affinities (EAad) are determined with the Gaussian-4 (G4) method for the energetic molecules PETN, RDX, β-δ-HMX, CL-17, TNB, TNT, CL-14, DADNE, TNA, and TATB. The IPad and EAad values are in the range of 8.43-11.73 and 0.74-2.86 eV, respectively. Variations are due to substitutional effects of electron withdrawing and donating functional groups. Enthalpies of formation are also determined for several of these molecules to augment the list of recently reported G4 values. The calculated IPad and EAad provide quantitative assessment of such molecular properties as chemical hardness, molecular electronegativity, and "intrinsic" molecular physical hardness.

  8. Applications of biochar in redox-mediated reactions.

    PubMed

    Yuan, Yong; Bolan, Nanthi; Prévoteau, Antonin; Vithanage, Meththika; Biswas, Jayanta Kumar; Ok, Yong Sik; Wang, Hailong

    2017-12-01

    Biochar is chemically more reduced and reactive than the original feedstock biomass. Graphite regions, functional groups, and redox-active metals in biochar contribute to its redox characteristics. While the functional groups such as phenolic species in biochar are the main electron donating moieties (i.e., reducers), the quinones and polycondensed aromatic functional groups are the components accepting electrons (oxidants). The redox capacity of biochar depends on feedstock properties and pyrolysis conditions. This paper aims to review and summarize the various synthesis techniques for biochars and the methods for probing their redox characteristics. We review the abiotic and microbial applications of biochars as electron donors, electron acceptors, or electron shuttles for pollutant degradation, metal(loid)s (im)mobilization, nutrient transformation, and discuss the underlying mechanisms. Furthermore, knowledge gaps that exist in the exploration and differentiation of the electron transfer mechanisms involving biochars are also identified. Copyright © 2017 Elsevier Ltd. All rights reserved.

  9. 7 CFR 252.6 - Miscellaneous provisions.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... Miscellaneous provisions. (a) Improper distribution or loss of or damage to donated food. If a processor improperly distributes or uses any donated food, or causes loss of or damage to a donated food through its... commodity related funds, assets, or property in child nutrition programs. Whoever embezzles, willfully...

  10. 7 CFR 252.6 - Miscellaneous provisions.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Miscellaneous provisions. (a) Improper distribution or loss of or damage to donated food. If a processor improperly distributes or uses any donated food, or causes loss of or damage to a donated food through its... commodity related funds, assets, or property in child nutrition programs. Whoever embezzles, willfully...

  11. 7 CFR 252.6 - Miscellaneous provisions.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Miscellaneous provisions. (a) Improper distribution or loss of or damage to donated food. If a processor improperly distributes or uses any donated food, or causes loss of or damage to a donated food through its... commodity related funds, assets, or property in child nutrition programs. Whoever embezzles, willfully...

  12. 7 CFR 252.6 - Miscellaneous provisions.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Miscellaneous provisions. (a) Improper distribution or loss of or damage to donated food. If a processor improperly distributes or uses any donated food, or causes loss of or damage to a donated food through its... commodity related funds, assets, or property in child nutrition programs. Whoever embezzles, willfully...

  13. 7 CFR 252.6 - Miscellaneous provisions.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Miscellaneous provisions. (a) Improper distribution or loss of or damage to donated food. If a processor improperly distributes or uses any donated food, or causes loss of or damage to a donated food through its... commodity related funds, assets, or property in child nutrition programs. Whoever embezzles, willfully...

  14. 14 CFR 1260.123 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... accordance with the applicable cost principles. If NASA authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  15. 24 CFR 84.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... applicable cost principles. If HUD authorizes recipients to donate buildings or land for construction.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  16. 24 CFR 84.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... applicable cost principles. If HUD authorizes recipients to donate buildings or land for construction.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  17. 20 CFR 435.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... SSA authorizes recipients to donate buildings or land for construction/facilities acquisition projects... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  18. 20 CFR 435.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... SSA authorizes recipients to donate buildings or land for construction/facilities acquisition projects... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  19. 14 CFR 1260.123 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... accordance with the applicable cost principles. If NASA authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  20. 40 CFR 30.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... personnel, the EPA Award Official authorizes recipients to donate buildings or land for construction or.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  1. 40 CFR 30.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... personnel, the EPA Award Official authorizes recipients to donate buildings or land for construction or.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  2. 20 CFR 435.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... SSA authorizes recipients to donate buildings or land for construction/facilities acquisition projects... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  3. 24 CFR 84.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... applicable cost principles. If HUD authorizes recipients to donate buildings or land for construction.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  4. 24 CFR 84.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... applicable cost principles. If HUD authorizes recipients to donate buildings or land for construction.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  5. 20 CFR 435.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... SSA authorizes recipients to donate buildings or land for construction/facilities acquisition projects... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  6. 14 CFR 1260.123 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... accordance with the applicable cost principles. If NASA authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  7. 14 CFR 1260.123 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... accordance with the applicable cost principles. If NASA authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and...

  8. 40 CFR 30.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... personnel, the EPA Award Official authorizes recipients to donate buildings or land for construction or.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  9. 20 CFR 435.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... SSA authorizes recipients to donate buildings or land for construction/facilities acquisition projects... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  10. 40 CFR 30.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... personnel, the EPA Award Official authorizes recipients to donate buildings or land for construction or.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  11. 40 CFR 30.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... personnel, the EPA Award Official authorizes recipients to donate buildings or land for construction or.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  12. 24 CFR 84.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... applicable cost principles. If HUD authorizes recipients to donate buildings or land for construction.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  13. Knowledge, attitude and practices of people towards voluntary blood donation in Uttarakhand

    PubMed Central

    Agrawal, Amit; Tiwari, Aseem K.; Ahuja, Alok; Kalra, Rakesh

    2013-01-01

    Introduction: Blood transfusions form a crucial and irreplaceable part in the medical management of many diseases. The collection of blood from voluntary, non-remunerated blood donors from low risk populations is an important measure for ensuring the availability and safety of blood transfusion. In a state like Uttarakhand which is visited by lakhs of visitors during pilgrimage season and where natural calamities and accidents are very common, the availability of blood is of utmost importance. Aim: To find out knowledge, attitude and practices of people towards voluntary blood donation to comprehend the situation and find ways to enhance voluntary blood donation in the state of Uttarakhand. Materials and Methods: Multi stage methodology was designed to target population including general population, influencers (doctors) and supporting organizations (camp organizers, State AIDS Control Society Officials) who were subjected to in-depth interview using pre-structured questionnaires to assess knowledge/awareness about voluntary blood donation, factors preventing and source of knowledge about voluntary blood donation. Result: The sample population consisted of mostly men (67%) in the age-group of 26-35 years. Requirement of blood and the measures to promote voluntary blood donation have a direct relationship with the total population and literacy level of the population. Awareness about blood donation, source of knowledge about blood donation, reasons for not donating blood are particularly stressed. With increase in educational level, the awareness level was also found to increase. While among illiterates 81 percent of the respondents knew about blood donation, among the post graduates the same ratio was found to be almost cent-percent. Among various reasons cited for not donating blood, lack of awareness being the most common reason. People gathered information about blood donation from several different sources with electronic media being the most prominent. Conclusion: This study illustrates how increasing awareness and marketing ‘Voluntary blood donation’ can enhance adequacy of blood needs of a state or for that matter the entire country. This study also underlines how different media, especially electronic media, can be used to propagate altruistic blood donation. PMID:23559768

  14. 36 CFR § 1226.26 - How do agencies donate temporary records?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... temporary records? § 1226.26 Section § 1226.26 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION RECORDS MANAGEMENT IMPLEMENTING DISPOSITION § 1226.26 How do agencies donate temporary records? (a) Agencies must obtain written approval from NARA before donating records eligible for...

  15. 22 CFR 145.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  16. 49 CFR 19.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... equipment, buildings or land, the total value of the donated property may be claimed as cost sharing or... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  17. 49 CFR 19.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... equipment, buildings or land, the total value of the donated property may be claimed as cost sharing or... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  18. 49 CFR 19.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... equipment, buildings or land, the total value of the donated property may be claimed as cost sharing or... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  19. 15 CFR 14.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    .... If DoC authorizes recipients to donate buildings or land for construction/facilities acquisition... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  20. 22 CFR 145.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  1. 22 CFR 145.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  2. 49 CFR 19.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... equipment, buildings or land, the total value of the donated property may be claimed as cost sharing or... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  3. 15 CFR 14.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    .... If DoC authorizes recipients to donate buildings or land for construction/facilities acquisition... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  4. 22 CFR 145.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  5. 49 CFR 19.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects... equipment, buildings or land, the total value of the donated property may be claimed as cost sharing or... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  6. 15 CFR 14.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    .... If DoC authorizes recipients to donate buildings or land for construction/facilities acquisition... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  7. 15 CFR 14.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    .... If DoC authorizes recipients to donate buildings or land for construction/facilities acquisition... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  8. 22 CFR 145.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long..., buildings or land, the total value of the donated property may be claimed as cost sharing or matching. (2... determining cost sharing or matching for donated equipment, buildings and land for which title passes to the...

  9. 15 CFR 14.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    .... If DoC authorizes recipients to donate buildings or land for construction/facilities acquisition... acquisition of equipment, buildings or land, the total value of the donated property may be claimed as cost... method used for determining cost sharing or matching for donated equipment, buildings and land for which...

  10. 78 FR 3023 - Draft Policy on Donations, Fundraising, and Solicitation

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-15

    ... ethical considerations of all types of donations, as opposed to our Fish and Wildlife Service Manual (FW) guidance, 342 FW 5, Non-Purchase Acquisition, which covers the acquisition of real property rights by methods other than purchase, including donation. If finalized, this draft policy would establish...

  11. 36 CFR 1210.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    .... 1210.23 Section 1210.23 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS... records at the time of donation. (2) The current fair market value. However, when there is sufficient justification, the NHPRC may approve the use of the current fair market value of the donated property, even if...

  12. Materials Design via Optimized Intramolecular Noncovalent Interactions for High-Performance Organic Semiconductors

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

    Guo, Xiaojie; Liao, Qiaogan; Manley, Eric F.

    2016-03-15

    We report the design, synthesis, and implemention in semiconducting polymers of a novel head-to-head linkage containing the TRTOR (3-alkyl-3'-alkoxy-2,2'-bithiophene) donor subunit having a single strategically optimized, planarizing noncovalent S···O interaction. Diverse complementary thermal, optical, electrochemical, X-ray scattering, electrical, photovoltaic, and electron microscopic characterization techniques are applied to establish structure-property correlations in a TRTOR-based polymer series. In comparison to monomers having double S···O interactions, replacing one alkoxy substituent with a less electron-donating alkyl one yields TRTOR-based polymers with significantly depressed (0.2-0.3 eV) HOMOs. Furthermore, the weaker single S···O interaction and greater TRTOR steric encumberance enhances materials processability without sacrificing backbone planarity.more » From another perspective, TRTOR has comparable electronic properties to ring-fused 5Hdithieno[ 3,2-b:2',3'-d]pyran (DTP) subunits, but a centrosymmetric geometry which promotes a more compact and ordered structure than bulkier, axisymmetric DTP. Compared to monosubstituted TTOR (3-alkoxy-2,2'-bithiophene), alkylation at the TRTOR bithiophene 3-position enhances conjugation and polymer crystallinity with contracted π-π stacking. Grazing incidence wide-angle X-ray scattering (GIWAXS) data reveal that the greater steric hindrance and the weaker single S···O interaction are not detrimental to close packing and high crystallinity. As a proof of materials design, copolymerizing TRTOR with phthalimides yields copolymers with promising thin-film transistor mobility as high as 0.42 cm2/(V·s) and 6.3% power conversion efficiency in polymer solar cells, the highest of any phthalimide copolymers reported to date. The depressed TRTOR HOMOs imbue these polymers with substantially increased Ion/Ioff ratios and Voc’s versus analogous subunits with multiple electron donating, planarizing alkoxy substituents. Implementing a head-to-head linkage with an alkyl/alkoxy substitution pattern and a single S···O interaction is a promising strategy for organic electronics materials design.« less

  13. 41 CFR 102-36.365 - May we transfer or donate canines that have been used in the performance of law enforcement duties?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false May we transfer or donate canines that have been used in the performance of law enforcement duties? 102-36.365 Section 102-36.365 Public Contracts and Property Management Federal Property Management Regulations System (Continued) FEDERAL MANAGEMENT REGULATION PERSONAL...

  14. Computational design of intrinsic molecular rectifiers based on asymmetric functionalization of N-phenylbenzamide

    DOE PAGES

    Ding, Wendu; Koepf, Matthieu; Koenigsmann, Christopher; ...

    2015-11-03

    Here, we report a systematic computational search of molecular frameworks for intrinsic rectification of electron transport. The screening of molecular rectifiers includes 52 molecules and conformers spanning over 9 series of structural motifs. N-Phenylbenzamide is found to be a promising framework with both suitable conductance and rectification properties. A targeted screening performed on 30 additional derivatives and conformers of N-phenylbenzamide yielded enhanced rectification based on asymmetric functionalization. We demonstrate that electron-donating substituent groups that maintain an asymmetric distribution of charge in the dominant transport channel (e.g., HOMO) enhance rectification by raising the channel closer to the Fermi level. These findingsmore » are particularly valuable for the design of molecular assemblies that could ensure directionality of electron transport in a wide range of applications, from molecular electronics to catalytic reactions.« less

  15. Reduction of electron accumulation at InN(0001) surfaces via saturation of surface states by potassium and oxygen as donor- or acceptor-type adsorbates

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

    Eisenhardt, A.; Reiß, S.; Krischok, S., E-mail: stefan.krischok@tu-ilmenau.de

    2014-01-28

    The influence of selected donor- and acceptor-type adsorbates on the electronic properties of InN(0001) surfaces is investigated implementing in-situ photoelectron spectroscopy. The changes in work function, surface band alignment, and chemical bond configurations are characterized during deposition of potassium and exposure to oxygen. Although an expected opponent charge transfer characteristic is observed with potassium donating its free electron to InN, while dissociated oxygen species extract partial charge from the substrate, a reduction of the surface electron accumulation occurs in both cases. This observation can be explained by adsorbate-induced saturation of free dangling bonds at the InN resulting in the disappearancemore » of surface states, which initially pin the Fermi level and induce downward band bending.« less

  16. Effect of chemical substitutions on photo-switching properties of 3-hydroxy-picolinic acid studied by ab initio methods

    NASA Astrophysics Data System (ADS)

    Rode, Michał F.; Sobolewski, Andrzej L.

    2014-02-01

    Effect of chemical substitutions to the molecular structure of 3-hydroxy-picolinic acid on photo-switching properties of the system operating on excited-state intramolecular double proton transfer (d-ESIPT) process [M. F. Rode and A. L. Sobolewski, Chem. Phys. 409, 41 (2012)] was studied with the aid of electronic structure theory methods. It was shown that simultaneous application of electron-donating and electron-withdrawing substitutions at certain positions of the molecular frame increases the height of the S0-state tautomerization barrier (ensuring thermal stability of isomers) and facilitates a barrierless access to the S1/S0 conical intersection from the Franck-Condon region of the S1 potential-energy surface. Results of study point to the conclusion that the most challenging issue for practical design of a fast molecular photoswitch based on d-ESIPT phenomenon are to ensure a selectivity of optical excitation of a given tautomeric form of the system.

  17. DFT studies on the ligand effect on electronic and optical properties of three series of functionalized Ir(III) complexes

    NASA Astrophysics Data System (ADS)

    Liu, Shujie; Li, Yangen; Hu, Xiaoying; Liu, Xiangdong; Guan, Bo

    2018-01-01

    With the help of DFT and TDDFT, a series of functionalized mononuclear iridium (III) complexes were systematically investigated to make clear the effect of auxiliary ligands on their electrionic and photophysical properties. It can be found that introducing electron withdrawing group (sbnd CF3) on benzene moiety can stabilize HOMO level, thus leading to wider HOMO-LUMO gap and blue shift in spectrum. More importantly, introducing sbnd CF3 on benzene moiety can also significantly improve the radiative decay rate (kr). On the other hand, the incorporation of electron donating groups (such as -Ph(CH3)3) into pyridine moiety on ligand reduce kr. The complexes 1c-3c and 1d-3d have improved charge balance ability and larger percentage of metal character. The results revealed the nature of the different substituents have a significant effect on the HOMO, LUMO energy levels and kr, resulting in the change of emission color and the quantum efficiency (Φp).

  18. Detection of nitrite based on fluorescent carbon dots by the hydrothermal method with folic acid

    NASA Astrophysics Data System (ADS)

    Lin, Haitao; Ding, Liyun; Zhang, Bingyu; Huang, Jun

    2018-05-01

    A fluorescent carbon dots probe for the detection of aqueous nitrite was fabricated by a one-pot hydrothermal method, and the transmission electron microscope, X-ray diffractometer, UV-Vis absorption spectrometer and fluorescence spectrophotometer were used to study the property of carbon dots. The fluorescent property of carbon dots influenced by the concentration of aqueous nitrite was studied. The interaction between the electron-donating functional groups and the electron-accepting nitrous acid could account for the quenching effect on carbon dots by adding aqueous nitrite. The products of the hydrolysis of aqueous nitrite performed a stronger quenching effect at lower pH. The relationship between the relative fluorescence intensity of carbon dots and the concentration of nitrite was described by the Stern-Volmer equation (I0/I - 1 = 0.046[Q]) with a fine linearity (R2 = 0.99). The carbon dots-based probe provides a convenient method for the detection of nitrite concentration.

  19. Sustainable Management of Electronics

    EPA Pesticide Factsheets

    To provide information on EPAs strategy for electronics stewardship, certified electronics recyclers and the Challenge; as well as where to donate unwanted electronics, how to calculate benefits, and what's going on with electronics mgmt in their states.

  20. Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

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

    Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou

    Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

  1. Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

    DOE PAGES

    Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou; ...

    2017-06-09

    Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

  2. Non-donors' attitudes towards sperm donation and their willingness to donate.

    PubMed

    Provoost, Veerle; Van Rompuy, Florence; Pennings, Guido

    2018-01-01

    The aim of this article is to study attitudes about sperm donation and willingness to donate sperm in students who have never shown an interest in sperm donation. The method used in this study is an electronic survey of 1012 male students. Only one third of the respondents (34.3%) would consider donating sperm. Overall, 85.7% indicated a positive attitude towards sperm donation while 14.3% indicated a neutral or negative attitude. The highest scored barriers to donating were the lack of practical information and the fear that the partner would not agree. Almost 40% of the respondents feared that the donation might have a negative impact on their current or future relationship. The majority (83.6%) of those who considered donating thought donors should receive a financial compensation. Money was also one of the main motivators. About 85% of the students thought positively about sperm donation but several factors such as perceived negative views by the social environment, especially the partner, may deter students from donating. This study indicates that the effect of strong incentives, for instance in monetary terms, on a donor pool consisting of students could be limited and that relational factors and donor's perceptions of the views of the wider social network should be taken into account when recruiting donors.

  3. 36 CFR 1256.30 - How do I obtain access to donated historical materials?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 36 Parks, Forests, and Public Property 3 2012-07-01 2012-07-01 false How do I obtain access to donated historical materials? 1256.30 Section 1256.30 Parks, Forests, and Public Property NATIONAL... donor's deed of gift. NARA staff can assist you with questions about restrictions or copyright...

  4. 36 CFR 1256.30 - How do I obtain access to donated historical materials?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 3 2011-07-01 2011-07-01 false How do I obtain access to donated historical materials? 1256.30 Section 1256.30 Parks, Forests, and Public Property NATIONAL... donor's deed of gift. NARA staff can assist you with questions about restrictions or copyright...

  5. 36 CFR 1256.30 - How do I obtain access to donated historical materials?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 36 Parks, Forests, and Public Property 3 2014-07-01 2014-07-01 false How do I obtain access to donated historical materials? 1256.30 Section 1256.30 Parks, Forests, and Public Property NATIONAL... donor's deed of gift. NARA staff can assist you with questions about restrictions or copyright...

  6. 36 CFR 1256.30 - How do I obtain access to donated historical materials?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 36 Parks, Forests, and Public Property 3 2010-07-01 2010-07-01 false How do I obtain access to donated historical materials? 1256.30 Section 1256.30 Parks, Forests, and Public Property NATIONAL... donor's deed of gift. NARA staff can assist you with questions about restrictions or copyright...

  7. Effect of Ligand Exchange on the Photoluminescence Properties of Cu-Doped Zn-In-Se Quantum Dots

    NASA Astrophysics Data System (ADS)

    Dong, Xiaofei; Xu, Jianping; Yang, Hui; Zhang, Xiaosong; Mo, Zhaojun; Shi, Shaobo; Li, Lan; Yin, Shougen

    2018-04-01

    The surface-bound ligands of a semiconductor nanocrystal can affect its electron transition behavior. We investigate the photoluminescence (PL) properties of Cu-doped Zn-In-Se quantum dots (QDs) through the exchange of oleylamine with 6-mercaptohexanol (MCH). Fourier transform infrared and 1H nuclear magnetic resonance spectroscopies, and mass spectrometry reveal that the short-chain MCH molecules are bound to the QD surface. The emission peaks remain unchanged after ligand exchange, and the PL quantum yield is reduced from 49% to 38%. The effects of particle size and defect type on the change in PL behavior upon ligand substitution are excluded through high-resolution transmission electron microscopy, UV-Vis absorption, and PL spectroscopies. The origin of the decreased PL intensity is associated with increased ligand density and the stronger ligand electron-donating abilities of MCH-capped QDs that induce an increase in the nonradiative transition probability. A lower PL quenching transition temperature is observed for MCH-capped QDs and is associated with increasing electron-acoustic phonon coupling due to the lower melting temperature of MCH.

  8. Oxygen vacancy ordering in transition-metal-oxide LaCoO3 films

    NASA Astrophysics Data System (ADS)

    Biskup, Neven; Salafranca, Juan; Mehta, Virat; Suzuki, Yuri; Pennycook, Stephen; Pantelides, Sokrates; Varela, Maria

    2013-03-01

    Oxygen vacancies in complex oxides affect the structure and the electronic and magnetic properties. Here we use atomically-resolved Z-contrast imaging, electron-energy-loss spectroscopy and densityfunctional calculations to demonstrate that ordered oxygen vacancies may act as the controlling degree of freedom for the structural, electronic, and magnetic properties of LaCoO3 thin films. We find that epitaxial strain is released through the formation of O vacancy superlattices. The O vacancies donate excess electrons to the Co d-states, resulting in ferromagnetic ordering. The appearance of Peierls-like minigaps followed by strain relaxation triggers a nonlinear rupture of the energy bands, which explains the observed insulating behavior. We conclude that oxygen vacancy ordering constitutes a degree of freedom that can be used to engineer novel behavior in complex-oxide films. Research at ORNL supported by U.S. DOE-BES, Materials Sciences and Engineering Div. and by ORNL's ShaRE User Program (DOE-BES), at UCM by the ERC Starting Inv. Award, at UC Berkeley and LBNL by BES-DMSE, at Vanderbilt by U.S DOE and the McMinn Endowment.

  9. Influence of functional groups on the photophysical properties of dimethylamino chalcones as laser dyes

    NASA Astrophysics Data System (ADS)

    Ibnaouf, K. H.; Elzupir, A. O.; AlSalhi, M. S.; Alaamer, Abdulaziz S.

    2018-02-01

    In this report, a series of 3-(4-(Dimethylamino) phenyl)-1-(4,3 di-substituted phenyl)-(2E) - propen -1-one chalcones was synthesised and examined as optical materials. The influence of functional groups (FG) and solvents on their photophysical properties was investigated. These include absorption, fluorescence, Stokes shift, and amplified spontaneous emission (ASE). The absorption spectra of all compounds showed a wavelength band in the range 404-429 nm, whereas the fluorescence spectra exhibited a band at 470-535 nm. We found that the fluorescence intensity was inversely proportional to the concentration of chalcones. The FGs and solvents had an amazing effect on the photophysical properties of the synthesised materials. Unexpectedly, the electron withdrawing group showed a highly red shift, whereas the electron donating group exhibited a blue shift. Further, these compounds showed large Stokes shifts (up to 5800 cm-1). ASE was observed under pump pulse laser excitation, and the wavelengths were tuned from 509 to 566 nm.

  10. Mesomeric Effects of Graphene Modified with Diazonium Salts: Substituent Type and Position Influence its Properties.

    PubMed

    Bouša, Daniel; Jankovský, Ondřej; Sedmidubský, David; Luxa, Jan; Šturala, Jiří; Pumera, Martin; Sofer, Zdeněk

    2015-12-01

    In the last decade, graphene and graphene derivatives have become some of the most intensively studied materials. Tuning of the electronic and electrochemical properties of graphene is of paramount importance. In this study, six diazonium-modified graphenes containing different functional groups according to the diazonium salt precursor were investigated. These diazonium moieties have a strong mesomeric (resonance) effect and act as either electron-donating or -withdrawing species. Different graphene precursors, such as thermally and chemically reduced graphenes were studied. All the products were characterized in detail by elemental combustion analysis, FTIR spectroscopy, Raman spectroscopy, high-resolution X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry. Resistivity and zeta potential measurements were consistent with theoretical (DFT) calculations. The results show that chemical modification of graphene by diazotation strongly influences its properties, creating a huge application potential in microelectronics, energy storage and conversion devices, and electrocatalysis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Photophysical properties and computational investigation on substituent effects on the structural and electronic properties of 3,6-di(thiophene-2-yl)-carbazole-based derivatives

    NASA Astrophysics Data System (ADS)

    Sriyab, Suwannee; Gleeson, Matthew Paul; Hannongbua, Supa; Suramitr, Songwut

    2016-12-01

    A series of 3,6-carbazole-based derivatives, 3,6-CzTh-(1), 3,6-CzTh-(2), 3,6-CzTh-(3) and 3,6-CzTh-(4), were synthesized to investigate the influence of structural distortion on intramolecular charge transfer (ICT) complexation between the conjugation components and carbazole core unit of the 3,6-carbazole-based derivatives. The 3,6-carbazole-based derivatives were synthesized and analysed using UV-Visible, photoluminescence spectroscopy and DFT calculations. The electron-donating substituents on the carbazole core unit, which was linked by formyl and acetyl at the 3,6-positions of the carbazole core so as to directly involve the electron-donating edge substituents in backbone, exhibited conjugation breaks in the middle of the carbazole core units. The break lead to a planar structure with an extraordinary ability to stabilize on the excited state resulting in a strong fluorescence quantum yield (Фfluo ≈ 0.6-0.7). The results of the Time-dependent density functional theory (TD-DFT) calculations were in agreement with the experimental results, and indicated that the low fluorescence of 3,6-CzTh-(1) and 3,6-CzTh-(2) is derived not only from intersystem crossing but also from internal conversion due to the proximity effect; this inference was also supported by the measurements of the photoluminescence spectra at low temperatures. In addition, factors leading efficiently to non-radiative processes were shown to be absent in 3,6-CzTh-(3) and 3,6-CzTh-(4). This work deepens our understanding of 3,6-di(thiophen-2-yl)-carbazole-based derivatives and provides insight into the future design of novel materials for improved fluorescence efficiencies and optoelectronic devices.

  12. A novel intermediate in the reaction of seleno CYP119 with m-chloroperbenzoic acid.

    PubMed

    Sivaramakrishnan, Santhosh; Ouellet, Hugues; Du, Jing; McLean, Kirsty J; Medzihradszky, Katalin F; Dawson, John H; Munro, Andrew W; Ortiz de Montellano, Paul R

    2011-04-12

    Cytochrome P450-mediated monooxygenation generally proceeds via a reactive ferryl intermediate coupled to a ligand radical [Fe(IV)═O]+• termed Compound I (Cpd I). The proximal cysteine thiolate ligand is a critical determinant of the spectral and catalytic properties of P450 enzymes. To explore the effect of an increased level of donation of electrons by the proximal ligand in the P450 catalytic cycle, we recently reported successful incorporation of SeCys into the active site of CYP119, a thermophilic cytochrome P450. Here we report relevant physical properties of SeCYP119 and a detailed analysis of the reaction of SeCYP119 with m-chloroperbenzoic acid. Our results indicate that the selenolate anion reduces rather than stabilizes Cpd I and also protects the heme from oxidative destruction, leading to the generation of a new stable species with an absorbance maximum at 406 nm. This stable intermediate can be returned to the normal ferric state by reducing agents and thiols, in agreement with oxidative modification of the selenolate ligand itself. Thus, in the seleno protein, the oxidative damage shifts from the heme to the proximal ligand, presumably because (a) an increased level of donation of electrons more efficiently quenches reactive species such as Cpd I and (b) the protection of the thiolate ligand provided by the protein active site structure is insufficient to shield the more oxidizable selenolate ligand.

  13. Synthesis and investigation of various properties of a novel series of nonlinear optical (NLO) chromophores bearing dicyanovinyl (DCV) moiety

    NASA Astrophysics Data System (ADS)

    Seferoğlu, Nurgul; Bayrak, Yasmina; Yalçın, Ergin; Seferoğlu, Zeynel

    2017-12-01

    A series of new nonlinear optic (NLO) chromophores containing a dimethine (vinyl) as π-bridge and electron acceptor dicyanomethine and different electron-donating groups and heterocyclic rings were synthesized. The structures of synthesized dyes were characterized by Fourier Transform Infrared (FTIR), proton and carbon nuclear magnetic resonance (1H/13C NMR) and mass spectrometry. Their electronic absorption spectra were evaluated in MeOH, THF and DCM. The absorption maxima exhibited little bathochromic shifts for each dye with the increasing dielectric constants of the solvents. The synthesized dyes can absorb in the range of 354-506 nm. The analysis of the electronic spectra showed that the dyes having electron-donating groups or heterocyclic rings showed significant changes relative to the model dye which has no substituent on the phenyl ring. In addition, the absorption maxima moved to the longest wavelength for dye containing N,N-dibutylamino substituent. Experimental absorption wavelengths for the compounds were found to be in good agreement with those predicted using the Time-Dependent Density Functional Theory (TD-DFT) [B3LYP/6-311 + g(d,p)]. Furthermore, the second order NLO responses of the dyes were calculated using density functional theory (DFT) calculations. The study reveals that the synthesized chromophores have large first hyperpolarizability (β) values, hence they may have potential applications in the development of NLO materials. For determination of the thermal behaviors of the compounds, thermogravimetric analysis (TGA) were done. The result showed that all the chromophores exhibited good thermal stabilities with the decomposition temperatures (Td) greater than 260 °C.

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

    Vega-Arroyo, M.; LeBreton, P. R.; Zapol, P.

    Photoinduced charge separation in triads of DNA covalently linked to an anatase nanoparticle via a dopamine bridge was studied by ab initio calculations of the oxidation potentials of carboxyl-DNA trimers and the TiO2/dopamine complex. Conjugation of dopamine to the TiO2 surface results in a lower oxidation potential of the complex relative to the surface and in localization of photogenerated holes on dopamine, while photogenerated electrons are excited into the conduction band of TiO2. Linking dopamine to the DNA trimers at the 5? end of the oligonucleotide may lead to further hole migration to the DNA. Calculations show that for severalmore » different sequences hole migration is favorable in double stranded DNA and unfavorable in single-stranded DNA. This extended charge separation was shown to follow from the redox properties of DNA sequence rather than from the modification of DNA's electron donating properties by the dopamine linker, which explains experimental observations.« less

  15. Study on structural and spectral properties of isobavachalcone and 4-hydroxyderricin by computational method

    NASA Astrophysics Data System (ADS)

    Rong, Yuzhi; Wu, Jinhong; Liu, Xing; Zhao, Bo; Wang, Zhengwu

    Isobavachalcone and 4-hydroxyderricin, two major chalcone constituents isolated from the roots of Angelica keiskei KOIDZUMI, exhibit numerous biological activities. Quantum chemical methods have been employed to investigate their structural and spectral properties. The ground state structures were optimized using density functional B3LYP method with 6-311G (d, p) basis set in both gas and solvent phases. Based on the optimized geometries, the harmonic vibrational frequency, the 1H and 13C nuclear magnetic resonance (NMR) chemical shift using the GIAO method were calculated at the same level of theory, with the aim of verifying the experimental values. Results reveal that B3LYP has been a good method to study their vibrational spectroscopic and NMR spectral properties of the two chalcones. The electronic absorption spectra were calculated using the time-dependent density functional theory (TDDFT) method. The solvent polarity effects were considered and calculated using the polarizable continuum model (PCM). Results also show that substitutions of different electron donating groups can alter the absorption properties and shift the spectra to a higher wavelength region.

  16. 36 CFR § 1256.30 - How do I obtain access to donated historical materials?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 36 Parks, Forests, and Public Property 3 2013-07-01 2012-07-01 true How do I obtain access to donated historical materials? § 1256.30 Section § 1256.30 Parks, Forests, and Public Property NATIONAL... donor's deed of gift. NARA staff can assist you with questions about restrictions or copyright...

  17. Pre-donation cognitions of potential living organ donors: the development of the Donation Cognition Instrument in potential kidney donors.

    PubMed

    Wirken, Lieke; van Middendorp, Henriët; Hooghof, Christina W; Sanders, Jan-Stephan F; Dam, Ruth E; van der Pant, Karlijn A M I; Berendsen, Elsbeth C M; Wellink, Hiske; Dackus, Henricus J A; Hoitsma, Andries J; Hilbrands, Luuk B; Evers, Andrea W M

    2017-03-01

    Cognitions surrounding living organ donation, including the motivation to donate, expectations of donation and worries about donation, are relevant themes during living donor evaluation. However, there is no reliable psychometric instrument assessing all these different cognitions. This study developed and validated a questionnaire to assess pre-donation motivations, expectations and worries regarding donation, entitled the Donation Cognition Instrument (DCI). Psychometric properties of the DCI were examined using exploratory factor analysis for scale structure and associations with validated questionnaires for construct validity assessment. From seven Dutch transplantation centres, 719 potential living kidney donors were included. The DCI distinguishes cognitions about donor benefits, recipient benefits, idealistic incentives, gratitude and worries about donation (Cronbach's alpha 0.76-0.81). Scores on pre-donation cognitions differed with regard to gender, age, marital status, religion and donation type. With regard to construct validity, the DCI was moderately correlated with expectations regarding donor's personal well-being and slightly to moderately to health-related quality of life. The DCI is found to be a reliable instrument assessing cognitions surrounding living organ donation, which might add to pre-donation quality of life measures in facilitating psychosocial donor evaluation by healthcare professionals. © The Author 2017. Published by Oxford University Press on behalf of ERA-EDTA. All rights reserved.

  18. Doped Graphene for DNA Analysis: the Electrochemical Signal is Strongly Influenced by the Kind of Dopant and the Nucleobase Structure

    PubMed Central

    Tian, Huidi; Wang, Lu; Sofer, Zdenek; Pumera, Martin; Bonanni, Alessandra

    2016-01-01

    Doping graphene with heteroatoms can alter the electronic and electrochemical properties of the starting material. Contrasting properties should be expected when the doping is carried out with electron donating species (n-type dopants) or with electron withdrawing species (p-type dopants). This in turn can have a profound influence on the electroanalytical performance of the doped material being used for the detection of specific probes. Here we investigate the electrochemical oxidation of DNA bases adenine, guanine, thymine and cytosine on two heteroatom-doped graphene platforms namely boron-doped graphene (p-type dopant) and nitrogen-doped graphene (n-type dopant). We found that overall, boron–doped graphene provided the best response in terms of electrochemical signal sensitivity for all bases. This is due to the electron deficiency of boron-doped graphene, which can promote the oxidation of DNA bases, as opposed to nitrogen-doped graphene which possesses an excess of electrons. Moreover, also the structure of the nucleobase was found to have significant influence on the obtained signal. Our study may open new frontiers in the electrochemical detection of DNA bases which is the first step for label-free DNA analysis. PMID:27623951

  19. TFB:TPDSi2 interfacial layer usable in organic photovoltaic cells

    DOEpatents

    Marks, Iobin J [Evanston, IL; Hains, Alexander W [Evanston, IL

    2011-02-15

    The present invention, in one aspect, relates to a solar cell. In one embodiment, the solar cell includes an anode; an active organic layer comprising an electron-donating organic material and an electron-accepting organic material; and an interfacial layer formed between the anode and active organic layer, where the interfacial layer comprises a hole-transporting polymer characterized with a hole-mobility higher than that of the electron-donating organic material in the active organic layer, and a small molecule that has a high hole-mobility and is capable of crosslinking on contact with air.

  20. 2016 America's Recycle Day

    NASA Image and Video Library

    2016-11-15

    A sign points the way to the electronic waste collection site, where NASA Kennedy Space Center employees donated computers, monitors, vacuum cleaners and other electronics in conjunction with America Recycles Day. America Recycles Day is a nationally recognized initiative dedicated to promoting recycling in the United States. Kennedy partnered with several organizations in order to donate as many of the items as possible to those who could use them the most in the Space Coast community. Space center personnel brought in electronic waste, gently used household goods, clothing and more. The two-day event was sponsored by Kennedy's Sustainability team.

  1. Electronic Tool for Distribution and Allocation of Heart on Donation and Transplantation in Mexico.

    PubMed

    Maqueda Tenorio, S E; Meixueiro Daza, L A; Maqueda Estrada, S

    2016-03-01

    In Mexico and globally, organs and/or tissues donated from deceased people are insufficient to cover the demand for transplants. In 2014, a rate of 3.6 organ donors per million in habitants was recorded; this is reflected in the transplants performed, including heart transplantation, with a rate of 0.4 per million population. According to the legal framework of Mexico, the National Transplant Center is responsible for coordinating National Subsystem of donation and transplantation, and one of its functions is to integrate and backup information regarding donation and transplantation through the National Transplant Registry System. In July 2015, 45 people were registered in the database of patients waiting for a heart transplant, of which 34.61% were female recipients and 65.39% male. Distribution and allocation processes are a key element to provide a fair distribution for those patients waiting for that organ; thus the creation of an electronic tool is proposed, one that aims to support the decision of the donation and/or transplants coordination committee by providing the necessary elements to make this process more efficient. Copyright © 2016 Elsevier Inc. All rights reserved.

  2. 41 CFR 102-33.335 - What are the receiving agency's responsibilities in the transfer or donation of aircraft parts?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What are the receiving agency's responsibilities in the transfer or donation of aircraft parts? 102-33.335 Section 102-33.335... agency's responsibilities in the transfer or donation of aircraft parts? An agency that receives...

  3. 41 CFR 102-33.335 - What are the receiving agency's responsibilities in the transfer or donation of aircraft parts?

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 41 Public Contracts and Property Management 3 2012-01-01 2012-01-01 false What are the receiving agency's responsibilities in the transfer or donation of aircraft parts? 102-33.335 Section 102-33.335... agency's responsibilities in the transfer or donation of aircraft parts? An agency that receives...

  4. 41 CFR 102-33.335 - What are the receiving agency's responsibilities in the transfer or donation of aircraft parts?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 3 2013-07-01 2013-07-01 false What are the receiving agency's responsibilities in the transfer or donation of aircraft parts? 102-33.335 Section 102-33.335... agency's responsibilities in the transfer or donation of aircraft parts? An agency that receives...

  5. 41 CFR 102-33.335 - What are the receiving agency's responsibilities in the transfer or donation of aircraft parts?

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false What are the receiving agency's responsibilities in the transfer or donation of aircraft parts? 102-33.335 Section 102-33.335... agency's responsibilities in the transfer or donation of aircraft parts? An agency that receives...

  6. 41 CFR 102-33.335 - What are the receiving agency's responsibilities in the transfer or donation of aircraft parts?

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 41 Public Contracts and Property Management 3 2011-01-01 2011-01-01 false What are the receiving agency's responsibilities in the transfer or donation of aircraft parts? 102-33.335 Section 102-33.335... agency's responsibilities in the transfer or donation of aircraft parts? An agency that receives...

  7. Colligative thermoelectric transport properties in n-type filled CoSb{sub 3} determined by guest electrons in a host lattice

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

    Lim, Young Soo, E-mail: yslim@pknu.ac.kr, E-mail: wsseo@kicet.re.kr, E-mail: pmoka@lgchem.com; Park, Kwan-Ho; Tak, Jang Yeul

    2016-03-21

    Among many kinds of thermoelectric materials, CoSb{sub 3} has received exceptional attention for automotive waste heat recovery. Its cage structure provides an ideal framework for the realization of phonon-glass electron-crystal strategy, and there have been numerous reports on the enhanced thermoelectric performance through the independent control of the thermal and electrical conductivity by introducing fillers into its cage sites. Herein, we report colligative thermoelectric transport properties in n-type CoSb{sub 3} from the viewpoint of “guest electrons in a host lattice.” Both the Seebeck coefficient and the charge transport properties are fundamentally determined by the concentration of the guest electrons, whichmore » are mostly donated by the fillers, in the conduction band of the host CoSb{sub 3}. Comparing this observation to our previous results, colligative relations for both the Seebeck coefficient and the mobility were deduced as functions of the carrier concentration, and thermoelectric transport constants were defined to predict the power factor in filled CoSb{sub 3}. This discovery not only increases the degree of freedom for choosing a filler but also provides the predictability of power factor in designing and engineering the n-type filled CoSb{sub 3} materials.« less

  8. Simultaneous control of emission localization and two-photon absorption efficiency in dissymmetrical chromophores

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

    Tretiak, Sergei

    2009-01-01

    The aim of the present work is to demonstrate that combined spectral tuning of fluorescence and two-photon absorption (TPA) properties of multipolar chromophores can be achieved by introduction of slight electronic chemical dissymmetry. In that perspective, two novel series of structurally related chromophores have been designed and studied: a first series based on rod-like quadrupolar chromophores bearing different electron-donating (D) end groups and a second series based on three-branched octupolar chromophores built from a trigonal donating moiety and bearing various acceptor (A) peripheral groups. The influence of the electronic dissymmetry is investigated by combined experimental and theoretical studies of themore » linear and nonlinear optical properties of dissymmetric chromophores compared to their symmetrical counterparts. In both types of systems (i.e. quadrupoles and octupoles) experiments and theory reveal that excitation is essentially delocalized and that excitation involves synchronized charge redistribution between the different D and A moieties within the multipolar structure (i.e. concerted intramolecular charge transfer). In contrast, the emission stems only from a particular dipolar subunit bearing the strongest D or A moieties due to fast excitation localization after excitation prior to emission. Hence control of emission characteristics (polarization and emission spectrum) in addition to localization can be achieved by controlled introduction of electronic dissymmetry (i.e. replacement of one of the D or A end-groups by a slightly stronger D{prime} or A{prime} units). Interestingly dissymmetrical functionalization of both quadrupolar and octupolar compounds does not lead to significant loss in TPA responses and can even be beneficial due to the spectral broadening and peak position tuning that it allows. This study thus reveals an original molecular engineering route strategy allowing major TPA enhancement in multipolar structures due to concerted multidimensional ICT while providing for spatial control of emission localization. Such route could be extended to more intricate (dendritic) and multipolar systems (3D).« less

  9. 25 CFR 900.86 - How will the Secretary exercise discretion to acquire and donate BIA or IHS excess property and...

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 25 Indians 2 2011-04-01 2011-04-01 false How will the Secretary exercise discretion to acquire and... EDUCATION ASSISTANCE ACT Property Donation Procedures General § 900.86 How will the Secretary exercise... Indian tribe or tribal organization? The Secretary will exercise discretion in a way that gives maximum...

  10. 25 CFR 900.86 - How will the Secretary exercise discretion to acquire and donate BIA or IHS excess property and...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 25 Indians 2 2010-04-01 2010-04-01 false How will the Secretary exercise discretion to acquire and... EDUCATION ASSISTANCE ACT Property Donation Procedures General § 900.86 How will the Secretary exercise... Indian tribe or tribal organization? The Secretary will exercise discretion in a way that gives maximum...

  11. 2016 America's Recycle Day

    NASA Image and Video Library

    2016-11-15

    Computers, monitors, vacuum cleaners and other electronics have been donated by employees at NASA's Kennedy Space Center in Florida in conjunction with America Recycles Day. America Recycles Day is a nationally recognized initiative dedicated to promoting recycling in the United States. Kennedy partnered with several organizations in order to donate as many of the items as possible to those who could use them the most in the Space Coast community. Space center personnel brought in electronic waste, gently used household goods, clothing and more.

  12. Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations.

    PubMed

    Zhong, Aimin; Zhang, Yuexing; Bian, Yongzhong

    2010-11-01

    The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties. Copyright © 2010 Elsevier Inc. All rights reserved.

  13. Increased Electron-Accepting and Decreased Electron-Donating Capacities of Soil Humic Substances in Response to Increasing Temperature.

    PubMed

    Tan, Wenbing; Xi, Beidou; Wang, Guoan; Jiang, Jie; He, Xiaosong; Mao, Xuhui; Gao, Rutai; Huang, Caihong; Zhang, Hui; Li, Dan; Jia, Yufu; Yuan, Ying; Zhao, Xinyu

    2017-03-21

    The electron transfer capacities (ETCs) of soil humic substances (HSs) are linked to the type and abundance of redox-active functional moieties in their structure. Natural temperature can affect the chemical structure of natural organic matter by regulating their oxidative transformation and degradation in soil. However, it is unclear if there is a direct correlation between ETC of soil HS and mean annual temperature. In this study, we assess the response of the electron-accepting and -donating capacities (EAC and EDC) of soil HSs to temperature by analyzing HSs extracted from soil set along glacial-interglacial cycles through loess-palaeosol sequences and along natural temperature gradients through latitude and altitude transects. We show that the EAC and EDC of soil HSs increase and decrease, respectively, with increasing temperature. Increased temperature facilitates the prevalence of oxidative degradation and transformation of HS in soils, thus potentially promoting the preferentially oxidative degradation of phenol moieties of HS or the oxidative transformation of electron-donating phenol moieties to electron-accepting quinone moieties in the HS structure. Consequently, the EAC and EDC of HSs in soil increase and decrease, respectively. The results of this study could help to understand biogeochemical processes, wherein the redox functionality of soil organic matter is involved in the context of increasing temperature.

  14. Controlling the directionality of charge transfer in phthalocyaninato zinc sensitizer for a dye-sensitized solar cell: density functional theory studies.

    PubMed

    Wan, Liang; Qi, Dongdong; Zhang, Yuexing; Jiang, Jianzhuang

    2011-01-28

    Density functional theory (DFT) calculation on the molecular structures, charge distribution, molecular orbitals, electronic absorption spectra of a series of eight unsymmetrical phthalocyaninato zinc complexes with one peripheral (E)-2-cyano-3-(5-vinylthiophen-2-yl) acrylic acid substituent at 2 or 3 position as an electron-withdrawing group and a different number of electron-donating amino groups at the remaining peripheral positions (9, 10, 16, 17, 23, 24) of the phthalocyanine ring, namely ZnPc-β-A, ZnPc-β-A-I-NH(2), ZnPc-β-A-II-NH(2), ZnPc-β-A-III-NH(2), ZnPc-β-A-I,II-NH(2), ZnPc-β-A-I,III-NH(2), ZnPc-β-A-II,III-NH(2), and ZnPc-β-A-I,II,III-NH(2), reveals the effects of amino groups on the charge transfer properties of these phthalocyanine derivatives with a typical D-π-A electronic structure. The introduction of amino groups was revealed altering of the atomic charge distribution, lifting the frontier molecular orbital level, red-shift of the near-IR bands in the electronic absorption spectra, and finally resulting in enhanced charge transfer directionality for the phthalocyanine compounds. Along with the increase of the peripheral amino groups at the phthalocyanine ring from 0, 2, 4, to 6, the dihedral angle between the phthalocyanine ring and the average plane of the (E)-2-cyano-3-(5-vinylthiophen-2-yl) acrylic acid substituent increases from 0 to 3.3° in an irregular manner. This is in good contrast to the regular and significant change in the charge distribution, destabilization of frontier orbital energies, and red shift of near-IR bands of phthalocyanine compounds along the same order. In addition, comparative studies indicate the smaller effect of incorporating two amino groups onto the 16 and 17 than on 9 and 10 or 23 and 24 peripheral positions of the phthalocyanine ring onto the aforementioned electronic properties, suggesting the least effect on tuning the charge transfer property of the phthalocyanine compound via introducing two electron-donating amino groups onto the 16 and 17 peripheral positions. As expected, compound ZnPc-β-A-I,III-NH(2) with four amino groups at 9, 10, 23, and 24 positions of the phthalocyanine ring shows the best charge transfer directionality among the three phthalocyaninato zinc complexes with four peripheral amino groups.

  15. A new look into conformational, vibrational and electronic structure analysis of 3,4-dimethoxybenzonitrile.

    PubMed

    Arjunan, V; Devi, L; Remya, P; Mohan, S

    2013-09-01

    The FTIR and FT-Raman spectra of 3,4-dimethoxybenzonitrile (34DMBN) have been analysed. Quantum chemical studies were performed with B3LYP method using 6-311++G(d,p), 6-31G(d,p) and cc-pVTZ basis sets. The electron donating effect of -OCH3 and electron withdrawing effect of -C≡N groups on the ring parameters were thoroughly analysed. The structural parameters, energies, thermodynamic properties, vibrational frequencies and the NBO charges of 34DMBN were determined. The (1)H and (13)C chemical shifts with respect to TMS were investigated and also calculated theoretically using the gauge independent atomic orbital method and compared with the experimental data. The delocalisation energy of different types of bonding interactions was investigated. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. 41 CFR 102-37.535 - What information must FAA provide to GSA on its administration of the public airport donation...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 3 2010-07-01 2010-07-01 false What information must FAA provide to GSA on its administration of the public airport donation program? 102-37.535 Section... Donations to Public Airports § 102-37.535 What information must FAA provide to GSA on its administration of...

  17. Substitution and solvent effects in the chalcones isomerization barrier of flavylium photochromic systems.

    PubMed

    Roque, Ana; Lima, João Carlos; Parola, A Jorge; Pina, Fernando

    2007-04-01

    Useful application of photochromic compounds as optical memories implies the existence of a large kinetic barrier between the forms interconverted by light. In the case of flavylium salts, the ground state isomerization barrier between the photoisomerizable chalcone isomers is shown to correlate with the electron donating ability of the substituents, measured by their effects in the (1)H NMR chemical shifts of the aromatic protons. Substitution with electron donating groups in ring A lowers the barrier while substitution at ring B has the opposite effect. However, in water, the observed increase is higher than expected in the case of compound 4',9-dihydroxychalcone when compared with the analogous 4'-dimethylamino-9-hydroxychalcone, containing a better electron donating group in the same position. Our interpretation is that the water network is providing an efficient pathway to form tautomers. In acetonitrile, unlike water, the expected order is indeed observed: E(a)(4',9-dihydroxychalcone) = 60 kJ mol(-1) < E(a) (4'-dimethylamino-9-hydroxychalcone) = 69 kJ mol(-1).

  18. Positron annihilation studies in solid substituted aromatic compounds

    NASA Astrophysics Data System (ADS)

    Oliveira, F. C.; Oliveira, A. M.; Donnici, C. L.; Machado, J. C.; Magalhães, W. F.; Windmöller, D.; Fulgêncio, F. H.; Souza, L. R.

    2011-04-01

    Positronium formation was investigated in benzene and naphthalene compounds with electron donating (sbnd NH2 and sbnd OH) and electron withdrawing (sbnd CN and sbnd NO2) substituents. The results exhibit an increase in the positronium formation yield whenever donating groups are bound to the ring and a decrease with withdrawing groups. These results can be attributed to the π-system electronic density variation in the aromatic ring. The amount of positronium obtained, I3 parameter, has been correlated with the Hammett (σ) and Brown-Okamoto (σp+) constants and adjusted through the modified Hammett equation, which employs the ratio I3/I3ϕ, yielding a satisfactory fit.

  19. Antioxidant activity of selenenamide-based mimic as a function of the aromatic thiols nucleophilicity, a DFT-SAPE model.

    PubMed

    Kheirabadi, Ramesh; Izadyar, Mohammad

    2018-05-18

    The mechanism of action of the selenenamide 1 as a mimic of the glutathione peroxidase (GPx) was investigated by the density functional theory. The solvent-assisted proton exchange procedure was applied to model the catalytic behavior and antioxidant activity of this mimic. To have an insight into the charge transfer effect, different aromatic thiols, including electron donating substituents on the phenyl ring were considered. The catalytic behavior of the selenenamide was modeled in a four-step mechanism, described by the oxidation of the mimic, the reduction of the obtained product, selenoxide, the reduction of the selenenylsulfide and dehydration of selenenic acid. On the basis of the activation parameters, the final step of the proposed mechanism is the rate determining states of the catalytic cycle. Turnover frequency (TOF) analysis showed that the electron donating groups at the para-position of the phenyl ring of the PhSH do not affect the catalytic activity of the selenenamide in contrast to p-methyl thiophenol which indicates the highest nucleophilicity. The evaluation of the electronic contribution of the various donating groups on the phenyl ring of the aromatic thiols shows that the antioxidant activity of the selenenamide sufficiently increases in the presence of the electron-donating substitutions. Finally, the charge transfer process at the rate-determining state was investigated based on the natural bond orbital analysis. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Density functional study of hypophosphite adsorption on Ni (1 1 1) and Cu (1 1 1) surfaces

    NASA Astrophysics Data System (ADS)

    Zeng, Yue; Liu, Shubin; Ou, Lihui; Yi, Jianlong; Yu, Shanci; Wang, Huixian; Xiao, Xiaoming

    2006-02-01

    Surface structures and electronic properties of hypophosphite, H 2PO 2-, molecularly adsorbed on Ni(1 1 1) and Cu(1 1 1) surfaces are investigated in this work by density functional theory at B3LYP/6-31++g(d, p) level. We employ a four-metal-atom cluster as the simplified model for the surface and have fully optimized the geometry and orientation of H 2PO 2- on the metal cluster. Six stable orientations have been discovered on both Ni (1 1 1) and Cu (1 1 1) surfaces. The most stable orientation of H 2PO 2- was found to have its two oxygen atoms interact the surface with two P sbnd O bonds pointing downward. Results of the Mulliken population analysis showed that the back donation from 3d orbitals of the transition metal substrate to the unfilled 3d orbital of the phosphorus atom in H 2PO 2- and 4s orbital's acceptance of electron donation from one lone pair of the oxygen atom in H 2PO 2- play very important roles in the H 2PO 2- adsorption on the transition metals. The averaged electron configuration of Ni in Ni 4 cluster is 4s 0.634p 0.023d 9.35 and that of Cu in Cu 4 cluster is 4s 1.004p 0.033d 9.97. Because of this subtle difference of electron configuration, the adsorption energy is larger on the Ni surface than on the Cu surface. The amount of charge transfers due to above two donations is larger from H 2PO 2- to the Ni surface than to the Cu surface, leading to a more positively charged P atom in Ni nH 2PO 2- than in Cu nH 2PO 2-. These results indicate that the phosphorus atom in Ni nH 2PO 2- complex is easier to be attacked by a nucleophile such as OH - and subsequent oxidation of H 2PO 2- can take place more favorably on Ni substrate than on Cu substrate.

  1. Improving first-time donor attendance rates through the use of enhanced donor preparation materials.

    PubMed

    Masser, Barbara; France, Christopher R; Foot, Jayne; Rozsa, Amy; Hayman, Jane; Waller, Daniel; Hunder, Everard

    2016-06-01

    Many nondonors are positive about blood donation and this motivates booking an appointment to donate. However, as their appointment approaches barriers to donating-such as anxiety-may become salient and deter attendance. Building on research of France and colleagues demonstrating the positive effect of enhanced preparation materials on donor recruitment, this study sought to determine whether these materials could effectively boost first donation appointment attendance. A field study comprising a 3 (brochure: none, e-mail, hard copy) × 2 (national call center [NCC] contact: none, call) between-subjects design was conducted with 3646 nondonors who had scheduled their first appointment. Participants in the brochure conditions received either a hard copy or an e-mailed link to electronic materials modeled on the donor preparation research of France and colleagues. Participants in the NCC call condition also received a call scripted in line with these preparation materials. The key outcome was new donor attendance rate. Although first-appointment attendance rates were high in the control (no additional contact) condition at 85.07% of those not canceling in advance, dual exposure to the preparation materials through a NCC call and an electronic brochure boosted attendance. The relative risk of attending in the NCC call and electronic brochure condition was 1.0836 (95% confidence interval, 1.0352-1.1343; p = 0.0006), with attendance 8.36% higher than in the control. This gain in attendance came at a relative increase in recruitment costs of 2%. The use of tailored communication to address new donors' concerns and prepare them for donating bolsters attendance rates. © 2016 AABB.

  2. Potential electron mediators to extract electron energies of RBC glycolysis for prolonged in vivo functional lifetime of hemoglobin vesicles.

    PubMed

    Kettisen, Karin; Bülow, Leif; Sakai, Hiromi

    2015-04-15

    Developing a functional blood substitute as an alternative to donated blood for clinical use is believed to relieve present and future blood shortages, and to reduce the risks of infection and blood type mismatching. Hemoglobin vesicle (HbV) encapsulates a purified and concentrated human-derived Hb solution in a phospholipid vesicle (liposome). The in vivo safety and efficacy of HbV as a transfusion alternative have been clarified. Auto-oxidation of ferrous Hb in HbV gradually increases the level of ferric methemoglobin (metHb) and impairs the oxygen transport capabilities. The extension of the functional half-life of HbV has recently been proposed using an electron mediator, methylene blue (MB), which acts as a shuttle between red blood cells (RBC) and HbV. MB transfers electron energies of NAD(P)H, produced by RBC glycolysis, to metHb in HbV. Work presented here focuses on screening of 15 potential electron mediators, with appropriate redox potential and water solubility, for electron transfer from RBC to HbV. The results are assessed with regard to the chemical properties of the candidates. The compounds examined in this study were dimethyl methylene blue (DMB), methylene green, azure A, azure B, azure C, toluidine blue (TDB), thionin acetate, phenazine methosulfate, brilliant cresyl blue, cresyl violet, gallocyanine, toluylene blue, indigo carmine, indigotetrasulfonate, and MB. Six candidates were found to be unsuitable because of their insufficient diffusion across membranes, or overly high or nonexistent reactivity with relevant biomolecules. However, 9 displayed favorable metHb reduction. Among the suitable candidates, phenothiazines DMB and TDB exhibited effectiveness like MB did. In comparison to MB, they showed faster reduction by electron-donating NAD(P)H, coupled with showing a lower rate of reoxidation in the presence of molecular oxygen. Ascertaining the best electron mediator can provide a pathway for extending the lifetime and efficiency of potential blood substitutes.

  3. Insights into the redox components of dissolved organic matters during stabilization process.

    PubMed

    Yuan, Ying; Xi, Bei-Dou; He, Xiao-Song; Ma, Yan; Zhang, Hui; Li, Dan; Zhao, Xin-Yu

    2018-05-01

    The changes of dissolved organic matter (DOM) components during stabilization process play significant effects on its redox properties but are little reported. Composting is a stabilization process of DOM, during which both the components and electron transfer capacities (ETCs) of DOM change. The redox components within compost-derived DOM during the stabilization process are investigated in this study. The results show that compost-derived DOM contained protein-like, fulvic-like, and humic-like components. The protein-like component decreases during composting, whereas the fulvic- and humic-like components increase during the process. The electron-donating capacity (EDC), electron-accepting capacity (EAC), and ETC of compost-derived DOM all increase during composting but their correlations with the components presented significant difference. The humic-like components were the main functional component responsible for both EDC and ETC, whereas the protein- and fluvic-like components show negative effects with the EAC, EDC, and ETC, suggesting that the components within DOM have specific redox properties during the stabilization process. These findings are very meaningful for better understanding the geochemical behaviors of DOM in the environment.

  4. Rational Design of Diketopyrrolopyrrole-Based Small Molecules as Donating Materials for Organic Solar Cells

    PubMed Central

    Jin, Ruifa; Wang, Kai

    2015-01-01

    A series of diketopyrrolopyrrole-based small molecules have been designed to explore their optical, electronic, and charge transport properties as organic solar cell (OSCs) materials. The calculation results showed that the designed molecules can lower the band gap and extend the absorption spectrum towards longer wavelengths. The designed molecules own the large longest wavelength of absorption spectra, the oscillator strength, and absorption region values. The optical, electronic, and charge transport properties of the designed molecules are affected by the introduction of different π-bridges and end groups. We have also predicted the mobility of the designed molecule with the lowest total energies. Our results reveal that the designed molecules are expected to be promising candidates for OSC materials. Additionally, the designed molecules are expected to be promising candidates for electron and/or hole transport materials. On the basis of our results, we suggest that molecules under investigation are suitable donors for [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) and its derivatives as acceptors of OSCs. PMID:26343640

  5. Towards electrochromic devices having visible color switching using electronic push-push and push-pull cinnamaldehyde derivatives.

    PubMed

    Navarathne, Daminda; Skene, W G

    2013-12-11

    A series of symmetric and unsymmetric conjugated azomethines derived from cinnamaldehyde and 2,5-diaminothiophene-3,4-dicarboxylic acid diethyl ester were prepared. The optical, electrochemical, and spectroelectrochemical properties of the electronic push-pull and push-push triads were investigated. Their properties could be tuned contingent on the cinnamaldehyde's electron withdrawing and donating substituents. The push-push symmetric derivative exhibited positive solvatochromism with the absorbance spanning some 31 nm, depending on the solvent polarity. Solvent dependent spectroelectrochemistry was also found for the symmetric push-push azomethine. The color of the neutral state and radical cation spanned 215 nm. The most pronounced color transition of the purple colored material was found in dimethyl sulfoxide (DMSO), where the color bleached with electrochemical oxidation. This was a result of the absorbance shifting into the near infrared (NIR) and not from decomposition of the azomethine. Electrochromic devices with the azomethines possessing desired reversible oxidation and color changes in the visible were fabricated and tested to demonstrate the applicability of these azomethine triads in devices.

  6. Literature overview highlights lack of paediatric donation protocols but identifies common themes that could guide their development.

    PubMed

    Vileito, A; Siebelink, M J; Verhagen, Aae

    2018-05-01

    Paediatric donation is a unique and extremely sensitive process that requires specific knowledge and competencies. Most countries use protocols for organ and tissue donation to ensure optimal care for the donor and family, but these mainly focus on adults. However, the donation process for children differs from adults in many ways. An overview of the literature was performed to identify protocols for the paediatric population. PubMed, Web of Science, EMBASE and the Internet were searched up to March 2016 for papers or other sources in English related to specific organ and tissue donation protocols for children and neonates. This comprised title, abstract and then full-text screening of relevant data. We included 12 papers and two electronic sources that were mainly from North America and Europe. Most discussed donations after cardiac death. The recurring themes included identifying potential donors, approaching parents, palliative care and collaboration with organ procurement organisations. Most papers called for paediatric donation policies to be standardised. Scientific publications in English on paediatric donation protocols are very scarce. No comprehensive paediatric donation protocol was found. We identified several recurring themes in the literature that could be used to develop such protocols. ©2018 The Authors. Acta Paediatrica published by John Wiley & Sons Ltd on behalf of Foundation Acta Paediatrica.

  7. Materials Design via Optimized Intramolecular Noncovalent Interactions for High-Performance Organic Semiconductors

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

    Guo, Xiaojie; Liao, Qiaogan; Manley, Eric F.

    2016-03-15

    We report the design, synthesis, and implemention in semiconducting polymers of a novel head-to-head linkage containing the TRTOR (3-alkyl-3'-alkoxy-2,2'-bithiophene) donor subunit having a single strategically optimized, planarizing noncovalent S···O interaction. Diverse complementary thermal, optical, electrochemical, X-ray scattering, electrical, photovoltaic, and electron microscopic characterization techniques are applied to establish structure–property correlations in a TRTOR-based polymer series. In comparison to monomers having double S···O interactions, replacing one alkoxy substituent with a less electron-donating alkyl one yields TRTOR-based polymers with significantly depressed (0.2–0.3 eV) HOMOs. Furthermore, the weaker single S···O interaction and greater TRTOR steric encumberance enhances materials processability without sacrificing backbone planarity.more » From another perspective, TRTOR has comparable electronic properties to ring-fused 5H-dithieno[3,2-b:2',3'-d]pyran (DTP) subunits, but a centrosymmetric geometry which promotes a more compact and ordered structure than bulkier, axisymmetric DTP. Compared to monosubstituted TTOR (3-alkoxy-2,2'-bithiophene), alkylation at the TRTOR bithiophene 3-position enhances conjugation and polymer crystallinity with contracted π–π stacking. Grazing incidence wide-angle X-ray scattering (GIWAXS) data reveal that the greater steric hindrance and the weaker single S···O interaction are not detrimental to close packing and high crystallinity. As a proof of materials design, copolymerizing TRTOR with phthalimides yields copolymers with promising thin-film transistor mobility as high as 0.42 cm2/(V·s) and 6.3% power conversion efficiency in polymer solar cells, the highest of any phthalimide copolymers reported to date. The depressed TRTOR HOMOs imbue these polymers with substantially increased Ion/Ioff ratios and Voc’s versus analogous subunits with multiple electron donating, planarizing alkoxy substituents. Implementing a head-to-head linkage with an alkyl/alkoxy substitution pattern and a single S···O interaction is a promising strategy for organic electronics materials design.« less

  8. Observation of inductive effects that cause a change in the rate-determining step for the conversion of rhenium azides to imido complexes.

    PubMed

    Travia, Nicholas E; Xu, Zhenggang; Keith, Jason M; Ison, Elon A; Fanwick, Phillip E; Hall, Michael B; Abu-Omar, Mahdi M

    2011-10-17

    The cationic oxorhenium(V) complex [Re(O)(hoz)(2)(CH(3)CN)][B(C(6)F(5))(4)] [1; Hhoz = 2-(2'-hydroxyphenyl)-2-oxazoline] reacts with aryl azides (N(3)Ar) to give cationic cis-rhenium(VII) oxoimido complexes of the general formula [Re(O)(NAr)(hoz)(2)][B(C(6)F(5))(4)] [2a-2f; Ar = 4-methoxyphenyl, 4-methylphenyl, phenyl, 3-methoxyphenyl, 4-chlorophenyl, and 4-(trifluoromethyl)phenyl]. The kinetics of formation of 2 in CH(3)CN are first-order in both azide (N(3)Ar) and oxorhenium(V) complex 1, with second-order rate constants ranging from 3.5 × 10(-2) to 1.7 × 10(-1) M(-1) s(-1). A strong inductive effect is observed for electron-withdrawing substituents, leading to a negative Hammett reaction constant ρ = -1.3. However, electron-donating substituents on phenyl azide deviate significantly from this trend. Enthalpic barriers (ΔH(‡)) determined by the Eyring-Polanyi equation are in the range 14-19 kcal mol(-1) for all aryl azides studied. However, electron-donating 4-methoxyphenyl azide exhibits a large negative entropy of activation, ΔS(‡) = -21 cal mol(-1) K(-1), which is in sharp contrast to the near zero ΔS(‡) observed for phenyl azide and 4-(trifluoromethyl)phenyl azide. The Hammett linear free-energy relationship and the activation parameters support a change in the mechanism between electron-withdrawing and electron-donating aryl azides. Density functional theory predicts that the aryl azides coordinate via N(α) and extrude N(2) directly. For the electron-withdrawing substituents, N(2) extrusion is rate-determining, while for the electron-donating substituents, the rate-determining step becomes the initial attack of the azide. The barriers for these two steps are inverted in their order with respect to the Hammett σ values; thus, the Hammett plot appears with a break in its slope.

  9. Physician perceptions about living organ donation in patients with Amyotrophic Lateral Sclerosis.

    PubMed

    Ansari, S; Bromberg, M B; Gibson, S B

    2017-09-01

    Patients with Amyotrophic Lateral Sclerosis (ALS) have expressed desire to become living organ donors but are unable to do so with current organ donation policies. Our objective is to assess ALS patient's interest in organ donation, and perceived concerns of this practice by ALS neurologists. An electronic survey was administered to ALS neurologists across the United States regarding living organ donation in ALS patients prior to respiratory failure. 52 complete responses were received from 121 invites. 67% (35/52) of neurologists expressed no concerns about living organ donation in ALS patients, and 33% had concerns. The concerns related to respiratory failure, anesthesia exposure and renal dysfunction. With their concerns addressed, 71% of neurologists reported that they would endorse living organ donation. 49% of neurologists reported being asked by a patient for information regarding living organ donation. ALS neurologists felt that 22.8% of ALS patients (median 19%) would be interested in learning more about organ donation, while only 6% of neurologists broach this subject with their patients. Our results indicate that 1 in every 4 ALS patients may be interested in exploring options for living organ donation, and this topic is not routinely addressed by ALS clinics. These results indicate an unexplored area of patient interest. To honor a patient's wishes to donate, the transplant community will have to accommodate living organ donation from terminally ill patients, and address neurologist concerns. Such a practice could benefit two groups of patients. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Application of Chan-Lam cross coupling for the synthesis of N-heterocyclic carbene precursors bearing strong electron donating or withdrawing groups

    NASA Astrophysics Data System (ADS)

    Huang, Liliang; He, Chengxiang; Sun, Zhihua

    2015-07-01

    Chan-Lam cross coupling allowed efficient synthesis of N,N’-disubstituted ortho-phenylene diamines bearing strong electron donating or withdrawing groups, such as nitro or methoxy groups, with moderate to high yields. These diamines can then be turned into N-heterocyclic carbene precursors after condensation with trimethyl orthoformate. The same strategy can also be utilized for the synthesis of N-monosubstituted aniline derivatives containing a functionalized ortho-aminomethyl group as intermediates for chiral 6-membered ring carbene precursors.

  11. A comparison of the bonding in Cr(NO)4 and Ni(CO)4

    NASA Technical Reports Server (NTRS)

    Bauschlicher, C. W., Jr.; Siegbahn, P. E. M.

    1986-01-01

    The bonding in Cr(NO)4 is very ionic, with about 1.5 electrons donated from the Cr to the NO 2pi orbitals. There is also a NO sigma donation of about 0.5 electrons to the Cr, yielding a net charge of Cr of about 1. A large MCSCF expansion is needed to describe both the ionic and covalent contributions to the Cr 3d-NO 2pi bonding. This bonding is compared to that in the isoelectronic Ni(CO)4.

  12. 2016 America's Recycle Day

    NASA Image and Video Library

    2016-11-15

    Computers, monitors, vacuum cleaners and other electronics have been donated by employees at NASA's Kennedy Space Center in Florida in conjunction with America Recycles Day. America Recycles Day is a nationally recognized initiative dedicated to promoting recycling in the United States. Kennedy partnered with several organizations in order to donate as many of the items as possible to those who could use them the most in the Space Coast community. Space center personnel brought in electronic waste, gently used household goods, clothing and more. The two-day event was sponsored by Kennedy's Sustainability team.

  13. Investigation of the Redox Chemistry of Anthraquinone Derivatives Using Density Functional Theory

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

    Bachman, Jonathan E.; Curtiss, Larry A.; Assary, Rajeev S.

    2014-09-25

    Application of density functional calculations to compute electrochemical properties such as redox windows, effect of substitution by electron donating and electron withdrawing groups on redox windows, and solvation free energies for ~50 anthraquinone (AQ) derivatives are presented because of their potential as anolytes in all-organic redox flow batteries. Computations suggest that lithium ions can increase (by ~0.4 V) the reduction potential of anthraquinone due to the lithium ion pairing by forming a Lewis base-Lewis acid complex. To design new redox active species, the substitution by electron donating groups are essential to improve the reduction window of AQ with adequate oxidativemore » stability. For instance, a complete methylation of AQ can improve its reduction window by ~0.4 V. The quantum chemical studies of the ~50 AQ derivatives are used to derive a relationship that connects the computed LUMO energy and the reduction potential that can be applied as a descriptor for screening thousands of AQ derivatives. Our computations also suggest that incorporating oxy-methyl dioxolane substituents in the AQ framework can increase its interaction with non-aqueous solvent and improve its solubility. Thermochemical calculations for likely bond breaking decomposition reactions of un-substituted AQ anions suggest that the dianions are relatively stable in the solution. These studies provide ideal platform to perform further combined experimental and theoretical studies to understand the electrochemical reversibility and solubility of new quinone molecules as energy storage materials.« less

  14. Monodentate phosphine substitution in [Pd(κ3-dppf)(PR3)][BF4]2 (dppf = 1,1'-bis(diphenylphosphino)ferrocene) compounds.

    PubMed

    Cabrera, K D; Rowland, A T; Szarko, J M; Diaconescu, P L; Bezpalko, M W; Kassel, W S; Nataro, C

    2017-05-02

    The ligand 1,1'-bis(diphenylphosphino)ferrocene (dppf) is commonly employed in a variety of catalytic systems. There are a variety of coordination modes known for dppf, the least studied being the κ 3 coordination mode, in which both phosphorus atoms and the iron atom of dppf interact with another metal center. One such compound is the previously reported [Pd(κ 3 -dppf)(PPh 3 )] 2+ . A series of related compounds, [Pd(κ 3 -dppf)(P(p-C 6 H 4 R) 3 )] 2+ (R = OCH 3 , CH 3 , F and CF 3 ), has been synthesized and characterized. The X-ray crystal structure of [Pd(dppf)(P(p-C 6 H 4 F) 3 )][BF 4 ] 2 was determined. Electrochemical and computational studies indicate that the electron donor ability of the P(p-C 6 H 4 R) 3 ligands influences the properties of these compounds. Substitution reactions of the P(p-C 6 H 4 R) 3 ligands have been examined, and, in general, the more electron donating P(p-C 6 H 4 R) 3 ligands completely replace the less electron donating ones. The kinetics of the reaction of [Pd(κ 3 -dppf)(P(p-C 6 H 4 F) 3 )] 2+ with P(p-C 6 H 4 OCH 3 ) 3 indicate that the reaction proceeds through a dissociative mechanism, contrary to the associative substitutions prevalent in square planar palladium(ii) chemistry.

  15. Two-photon or higher-order absorbing optical materials for generation of reactive species

    NASA Technical Reports Server (NTRS)

    Marder, Seth R. (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Perry, Joseph W. (Inventor)

    2003-01-01

    Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

  16. Two-photon or higher-order absorbing optical materials for generation of reactive species

    NASA Technical Reports Server (NTRS)

    Perry, Joseph W (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Marder, Seth R (Inventor)

    2007-01-01

    Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

  17. Two-Photon or Higher-Order Absorbing Optical Materials for Generation of Reactive Species

    NASA Technical Reports Server (NTRS)

    Perry, Joseph W. (Inventor); Cumpston, Brian (Inventor); Lipson, Matthew (Inventor); Marder, Seth R. (Inventor)

    2013-01-01

    Disclosed are highly efficient multiphoton absorbing compounds and methods of their use. The compounds generally include a bridge of pi-conjugated bonds connecting electron donating groups or electron accepting groups. The bridge may be substituted with a variety of substituents as well. Solubility, lipophilicity, absorption maxima and other characteristics of the compounds may be tailored by changing the electron donating groups or electron accepting groups, the substituents attached to or the length of the pi-conjugated bridge. Numerous photophysical and photochemical methods are enabled by converting these compounds to electronically excited states upon simultaneous absorption of at least two photons of radiation. The compounds have large two-photon or higher-order absorptivities such that upon absorption, one or more Lewis acidic species, Lewis basic species, radical species or ionic species are formed.

  18. An electro-optical and electron injection study of benzothiazole-based squaraine dyes as efficient dye-sensitized solar cell materials: a first principles study.

    PubMed

    Al-Fahdan, Najat Saeed; Asiri, Abdullah M; Irfan, Ahmad; Basaif, Salem A; El-Shishtawy, Reda M

    2014-12-01

    Squaraine dyes have attracted significant attention in many areas of daily life from biomedical imaging to semiconducting materials. Moreover, these dyes are used as photoactive materials in the field of solar cells. In the present study, we investigated the structural, electronic, photophysical, and charge transport properties of six benzothiazole-based squaraine dyes (Cis-SQ1-Cis-SQ3 and Trans-SQ1-Trans-SQ3). The effect of electron donating (-OCH3) and electron withdrawing (-COOH) groups was investigated intensively. Ground state geometry and frequency calculations were performed by applying density functional theory (DFT) at B3LYP/6-31G** level of theory. Absorption spectra were computed in chloroform at the time-dependent DFT/B3LYP/6-31G** level of theory. The driving force of electron injection (ΔG (inject)), relative driving force of electron injection (ΔG r (inject)), electronic coupling constants (|VRP|) and light harvesting efficiency (LHE) of all six compounds were calculated and compared with previously studied sensitizers. The ΔG (inject), ΔG r (inject) and |VRP| of all six compounds revealed that these sensitizers would be efficient dye-sensitized solar cell materials. Cis/Trans-SQ3 exhibited superior LHE as compared to other derivatives. The Cis/Trans geometric effect was studied and discussed with regard to electro-optical and charge transport properties.

  19. Derivatization and diffusive motion of molecular fullerenes: Ab initio and atomistic simulations

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

    Berdiyorov, G., E-mail: gberdiyorov@qf.org.qa; Tabet, N.; Harrabi, K.

    2015-07-14

    Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C{sub 60} fullerene. As a typical example, we consider [6,6]-phenyl-C{sub 61}-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect onmore » the electronic transport properties of the fullerene molecular junctions. Both C{sub 60} and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C{sub 60} is an order of magnitude larger than the one for PCBM.« less

  20. Synthesis and Analgesic Properties of Lidocaine Derivatives with Substituted Aminobenzothiazoles.

    PubMed

    Ahmadi, Abbas; Khalili, Mohsen; Mohammadinoude, Mohammad Kazem; Nahri-Niknafs, Babak

    2016-01-01

    Local anesthetics are the most widely consumed drugs in the practice of medicine which provide a loss of sensation in a certain body part without loss of consciousness or impairment of central control of essential functions. Lidocaine (I) is the most commonly local anaesthetic drug which is widely used in all species due to its fabulous diffusing and penetrating properties as well as prompt onset of surgical analgesia. In this study, new aminobenzothiazole (with many useful biological and pharmacological properties) analogues were synthesized by changing of amine moiety of I. Both acute and chronic pain properties of new compounds (II-VI) were studied by using the tail immersion and formalin tests on mice and the outcomes were compared with control and lidocaine groups. According to the results, aminobenzothiazole derivatives are better candidates than diethylamine group for replacement on amine moiety of I. Also, derivatives with electron-withdrawing groups on this amine (V and VI) could decrease pain better than electron-donating ones (II and III) (specially on position 6 of this amine, II and V) which may be of concern for blockade of specific sodium channels by these new compounds.

  1. Effects of substituents in silyl groups on the absorption, fluorescence and structural properties of 1,3,6,8-tetrasilylpyrenes.

    PubMed

    Maeda, Hajime; Suzuki, Tsubasa; Segi, Masahito

    2018-05-09

    1,3,6,8-Tetrasilylpyrenes and related germyl and stannyl derivatives were synthesized, and their absorption and fluorescence spectroscopic and structural properties were elucidated. The results show that the UV-vis absorption maxima of these substances in CH2Cl2 solutions shift to longer wavelengths as the size of the alkyl groups and numbers of phenyl groups on silicon increase. Fluorescence quantum yields of tetrasilylpyrenes in cyclohexane are larger than that of pyrene, and a pentamethyldisilyl derivative has an emission efficiency of 0.79. Except in the case of the SiMe2H derivative, excimer emission was not observed in concentrated solutions of these substances. The SiMe2H and SiMe3 derivatives were shown to form CT complexes with tetracyanoethylene in CH2Cl2 solutions. The calculated energy barriers for rotation of the silyl groups about the Si-C bond increase as the steric bulk of the silyl group increases. 29Si NMR chemical shifts were found to depend on the sizes of the alkyl groups and numbers of phenyl groups. Data arising from theoretical calculations suggest that the silyl groups act as electron-donating groups, and the donating ability of the groups decreases in the order SiR3 > GeR3 > SnR3.

  2. On the bonding mechanism of CO to Pt(111) and its effect on the vibrational frequency of chemisorbed CO

    NASA Astrophysics Data System (ADS)

    Illas, F.; Zurita, S.; Márquez, A. M.; Rubio, J.

    1997-04-01

    The chemisorption of CO on the atop site of Pt(111) has been simulated by a Pt4 cluster model. Ab initio self consistent field (SCF) and complete active space self consistent field (CASSCF) cluster model wave functions have been obtained for the electronic ground state. Likewise, ab initio SCF wavefunctions have been obtained for two other electronic states. The optimum geometry and vibrational frequencies of chemisorbed CO are reported for the three states. The interaction energy and vibrational shift of chemisorbed CO, with respect to free gas phase CO, have been analyzed for the three electronic states. This analysis is carried out by means of the constrained space orbital variation (CSOV) method. In all cases the bond is found to be dominated by σ donation and π back-donation, known as Blyholder's mechanism. This mechanism is further supported by SCF calculations on a larger, Pt13, cluster model. For both clusters, the CSOV analysis of the vibrational frequency definitely shows that, contrary to previous recent studies, a major contribution to the experimentally observed vibrational shift comes from the π back-donation mechanism. However, we found that, contrary to common belief, σ donation also acts to lower the CO frequency and not to increase it. Physical reasons for such unexpected behaviour are given.

  3. Electronic structure and weak itinerant magnetism in metallic Y 2 Ni 7

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

    Singh, David J.

    2015-11-03

    We describe a density functional study of the electronic structure and magnetism of Y₂Ni₇. The results show itinerant magnetism very similar to that in the weak itinerant ferromagnet Ni₃Al. The electropositive Y atoms in Y₂Ni₇ donate charge to the Ni host mostly in the form of s electrons. The non-spin-polarized state shows a high density of states at the Fermi level, N (E F), due to flat bands. This leads to a ferromagnetic instability. However, there are also several much more dispersive bands crossing E(F), which should promote the conductivity. Spin fluctuation effects appear to be comparable to or weakermore » than Ni₃Al, based on comparison with experimental data. Y₂Ni₇ provides a uniaxial analog to cubic Ni₃Al, for studying weak itinerant ferromagnetism, suggesting detailed measurements of its low temperature physical properties and spin fluctuations, as well as experiments under pressure.« less

  4. Heterocyclic Schiff bases as non toxic antioxidants: Solvent effect, structure activity relationship and mechanism of action

    NASA Astrophysics Data System (ADS)

    Shanty, Angamaly Antony; Mohanan, Puzhavoorparambil Velayudhan

    2018-03-01

    Phenolic heterocyclic imine based Schiff bases from Thiophene-2-carboxaldehyde and Pyrrole-2-carboxaldehyde were synthesized and characterized as novel antioxidants. The solvent effects of these Schiff bases were determined and compared with standard antioxidants, BHA employing DPPH assay and ABTS assay. Fixed reaction time and Steady state measurement were used for study. IC50 and EC50 were calculated. Structure-activity relationship revealed that the electron donating group in the phenolic ring increases the activity where as the electron withdrawing moiety decreases the activity. The Schiff base derivatives showed antioxidant property by two different pathways namely SPLET and HAT mechanisms in DPPH assay. While in ABTS method, the reaction between ABTS radical and Schiff bases involves electron transfer followed by proton transfer (ET-PT) mechanism. The cytotoxicity of these compounds has been evaluated by MTT assay. The results showed that all these compounds are non toxic in nature.

  5. Microbially-mediated method for synthesis of non-oxide semiconductor nanoparticles

    DOEpatents

    Phelps, Tommy J.; Lauf, Robert J.; Moon, Ji Won; Rondinone, Adam J.; Love, Lonnie J.; Duty, Chad Edward; Madden, Andrew Stephen; Li, Yiliang; Ivanov, Ilia N.; Rawn, Claudia Jeanette

    2014-06-24

    The invention is directed to a method for producing non-oxide semiconductor nanoparticles, the method comprising: (a) subjecting a combination of reaction components to conditions conducive to microbially-mediated formation of non-oxide semiconductor nanoparticles, wherein said combination of reaction components comprises i) anaerobic microbes, ii) a culture medium suitable for sustaining said anaerobic microbes, iii) a metal component comprising at least one type of metal ion, iv) a non-metal component containing at least one non-metal selected from the group consisting of S, Se, Te, and As, and v) one or more electron donors that provide donatable electrons to said anaerobic microbes during consumption of the electron donor by said anaerobic microbes; and (b) isolating said non-oxide semiconductor nanoparticles, which contain at least one of said metal ions and at least one of said non-metals. The invention is also directed to non-oxide semiconductor nanoparticle compositions produced as above and having distinctive properties.

  6. Self-Assembly of Electron Donor-Acceptor-Based Carbazole Derivatives: Novel Fluorescent Organic Nanoprobes for Both One- and Two-Photon Cellular Imaging.

    PubMed

    Zhang, Jinfeng; Chen, Wencheng; Kalytchuk, Sergii; Li, King Fai; Chen, Rui; Adachi, Chihaya; Chen, Zhan; Rogach, Andrey L; Zhu, Guangyu; Yu, Peter K N; Zhang, Wenjun; Cheah, Kok Wai; Zhang, Xiaohong; Lee, Chun-Sing

    2016-05-11

    In this study, we report fluorescent organic nanoprobes with intense blue, green, and orange-red emissions prepared by self-assembling three carbazole derivatives into nanorods/nanoparticles. The three compounds consist of two or four electron-donating carbazole groups linked to a central dicyanobenzene electron acceptor. Steric hindrance from the carbazole groups leads to noncoplanar 3D molecular structures favorable to fluorescence in the solid state, while the donor-acceptor structures endow the molecules with good two-photon excited emission properties. The fluorescent organic nanoprobes exhibit good water dispersibility, low cytotoxicity, superior resistance against photodegradation and photobleaching. Both one- and two-photon fluorescent imaging were shown in the A549 cell line. Two-photon fluorescence imaging with the fluorescent probes was demonstrated to be more effective in visualizing and distinguishing cellular details compared to conventional one-photon fluorescence imaging.

  7. Molecular-scale properties of MoO3 -doped pentacene

    NASA Astrophysics Data System (ADS)

    Ha, Sieu D.; Meyer, Jens; Kahn, Antoine

    2010-10-01

    The mechanisms of molecular doping in organic electronic materials are explored through investigation of pentacene p -doped with molybdenum trioxide (MoO3) . Doping is confirmed with ultraviolet photoelectron spectroscopy. Isolated dopants are imaged at the molecular scale using scanning tunneling microscopy (STM) and effects due to localized holes are observed. The results demonstrate that donated charges are localized by the counterpotential of ionized dopants in MoO3 -doped pentacene, generalizing similar effects previously observed for pentacene doped with tetrafluoro-tetracyanoquinodimethane. Such localized hole effects are only observed for low molecular weight MoO3 species. It is shown that for larger MoO3 polymers and clusters, the ionized dopant potential is sufficiently large as to mask the effect of the localized hole in STM images. Current-voltage measurements recorded using scanning tunneling spectroscopy reveal that electron conductivity decreases in MoO3 -doped films, as expected for electron capture and p -doping.

  8. Single-molecular diodes based on opioid derivatives.

    PubMed

    Siqueira, M R S; Corrêa, S M; Gester, R M; Del Nero, J; Neto, A M J C

    2015-12-01

    We propose an efficient single-molecule rectifier based on a derivative of opioid. Electron transport properties are investigated within the non-equilibrium Green's function formalism combined with density functional theory. The analysis of the current-voltage characteristics indicates obvious diode-like behavior. While heroin presents rectification coefficient R>1, indicating preferential electronic current from electron-donating to electron-withdrawing, 3 and 6-acetylmorphine and morphine exhibit contrary behavior, R<1. Our calculations indicate that the simple inclusion of acetyl groups modulate a range of devices, which varies from simple rectifying to resonant-tunneling diodes. In particular, the rectification rations for heroin diodes show microampere electron current with a maximum of rectification (R=9.1) at very low bias voltage of ∼0.6 V and (R=14.3)∼1.8 V with resistance varying between 0.4 and 1.5 M Ω. Once most of the current single-molecule diodes usually rectifies in nanoampere, are not stable over 1.0 V and present electrical resistance around 10 M. Molecular devices based on opioid derivatives are promising in molecular electronics.

  9. Long-range coupling of electron-hole pairs in spatially separated organic donor-acceptor layers

    PubMed Central

    Nakanotani, Hajime; Furukawa, Taro; Morimoto, Kei; Adachi, Chihaya

    2016-01-01

    Understanding exciton behavior in organic semiconductor molecules is crucial for the development of organic semiconductor-based excitonic devices such as organic light-emitting diodes and organic solar cells, and the tightly bound electron-hole pair forming an exciton is normally assumed to be localized on an organic semiconducting molecule. We report the observation of long-range coupling of electron-hole pairs in spatially separated electron-donating and electron-accepting molecules across a 10-nanometers-thick spacer layer. We found that the exciton energy can be tuned over 100 megaelectron volts and the fraction of delayed fluorescence can be increased by adjusting the spacer-layer thickness. Furthermore, increasing the spacer-layer thickness produced an organic light-emitting diode with an electroluminescence efficiency nearly eight times higher than that of a device without a spacer layer. Our results demonstrate the first example of a long-range coupled charge-transfer state between electron-donating and electron-accepting molecules in a working device. PMID:26933691

  10. Experimental charge density analysis of a gallium(I) N-heterocyclic carbene analogue.

    PubMed

    Overgaard, Jacob; Jones, Cameron; Dange, Deepak; Platts, James A

    2011-09-05

    The experimental electron density of the only known example of a four-membered Ga(I) N-heterocyclic carbene analogue has been determined by multipole modeling of 90 K X-ray diffraction data and compared to theoretical data. In order to obtain a satisfactory model, it is necessary to modify the radial dependency of the core electrons of Ga using two separate scaling parameters for s,p- and d-electrons. Evidence for significant lone-pair density on Ga is found in the electron density and derived properties despite the partial positive charge of this atom. Static deformation density and molecular electrostatic potential clearly show a directional lone pair on Ga, whereas the Laplacian of the total electron density does not; this feature is, however, present in the Laplacian of the valence-only density. The Ga center also acts as an acceptor in four intramolecular C-H···Ga contacts, whose nature is probed by density properties. Substantial covalent character is apparent in the Ga-N bonds, but no sign of donation from filled N p-orbitals to empty Ga p-orbitals is found, whereas π-delocalization over the organic ligand is evident. This study highlights the utility of experimental charge density analysis as a technique to investigate the unusual bonding and electronic characteristics of low oxidation state/low coordinate p-block complexes.

  11. Molecular glasses of azobenzene for holographic data storage applications

    NASA Astrophysics Data System (ADS)

    Zarins, Elmars; Balodis, Karlis; Ruduss, Armands; Kokars, Valdis; Ozols, Andris; Augustovs, Peteris; Saharovs, Dmitrijs

    2018-05-01

    A series of D-N=N-A type molecular glasses where the electron acceptor part (A) contains several electron withdrawing substituents, but the electron donating part (D) of the glassy azochromophores contains amorphous phase promoting non-conjugated bulky triphenyl or hydroxyl groups have been synthesized and investigated. Results showed that the azodye physical properties depend not only on the incorporated electron withdrawing substituents but are also influenced by the bonding type of covalently attached bulky moieties. Synthesized glassy azocompounds showed glass transition temperatures up to 106 °C and thermal stability up to 312 °C. The ability to form holographic gratings in spin-cast thin films of the glassy azodyes was investigated using 532 nm and 633 nm lasers obtaining diffraction efficiency up to 57%, self-diffraction efficiency up to 15% and photosensitivity as high as 3.7 J/(cm2%). Surface relief grating (SRG) depths reached 1.1 μm and in some cases even exceeded the thickness of the films.

  12. A New Supramolecular Route for Using Rod-Coil Block Copolymers in Photovoltaic Applications

    NASA Astrophysics Data System (ADS)

    Mezzenga, Raffaele; Sary, Nicolas; Richard, Fanny; Brochon, Cyril; Leclerc, Nicolas; Leveque, Patrick; Audinot, Jean Nicolas; Heiser, Thomas; Hadziioannou, Georges; Berson, Solenn

    2010-03-01

    We propose a new supramolecular strategy to blend together rod-coil poly(3-hexylthiophene)-poly(4-vinylpyridine) (P3HTP4VP) block copolymers and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The P4VP and PCBM are mixed together by weak supramolecular interactions, and the resulting materials exhibit microphase separated morphologies of electron-donor and electron-acceptor rich domains. The microphase segregated P3HT-rod domains act as electron-donating species and the homogeneous P4VP block:PCBM blend acts as the electron-acceptor domain. We describe the photovoltaic performance of standard and inverted devices whose active layer is composed thereof and show the effect of finely engineering the interfacial properties of the active layer to obtain competitive photovoltaic performance with superior thermal stability. (1) N. Sary, F. Richard, C. Brochon, N. Leclerc, P. Leveque, JN Audinot, S. Berson, T. Heiser, G. Hadziioannou, R. Mezzenga, Adv. Mater. in Press (2010)

  13. Photocatalytic fluoroalkylation reactions of organic compounds.

    PubMed

    Barata-Vallejo, Sebastián; Bonesi, Sergio M; Postigo, Al

    2015-12-14

    Photocatalytic methods for fluoroalkyl-radical generation provide more convenient alternatives to the classical perfluoroalkyl-radical (Rf) production through chemical initiators, such as azo or peroxide compounds or the employment of transition metals through a thermal electron transfer (ET) initiation process. The mild photocatalytic reaction conditions tolerate a variety of functional groups and, thus, are handy to the late-stage modification of bioactive molecules. Transition metal-photocatalytic reactions for Rf radical generation profit from the redox properties of coordinatively saturated Ru or Ir organocomplexes to act as both electron donor and reductive species, thus allowing for the utilization of electron accepting and donating fluoroalkylating agents for Rf radical production. On the other hand, laboratory-available and inexpensive photoorgano catalysts (POC), in the absence of transition metals, can also act as electron exchange species upon excitation, resulting in ET reactions that produce Rf radicals. In this work, a critical account of transition metal and transition metal-free Rf radical production will be described with photoorgano catalysts, studying classical examples and the most recent investigations in the field.

  14. Polyphenols of Salix aegyptiaca modulate the activities of drug metabolizing and antioxidant enzymes, and level of lipid peroxidation.

    PubMed

    Nauman, Mohd; Kale, R K; Singh, Rana P

    2018-03-07

    Salix aegyptiaca is known for its medicinal properties mainly due to the presence of salicylate compounds. However, it also contains other beneficial phytochemicals such as gallic acid, quercetin, rutin and vanillin. The aim of the study was to examine the redox potential, antioxidant and anti-inflammatory activity of these phytochemicals along with acetylsalicylic acid. The redox potential and antioxidant activity of gallic acid, quercetin, rutin, vanillin and acetylsalicylic acid were determined by oxidation-reduction potential electrode method and 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay, respectively. In ex vivo studies, antioxidant activity of these phytochemicals was determined by lipid peroxidation and carbonyl content assay in the liver of mice. Anti-inflammatory activity was determined by protein denaturation method. Six-week old C57BL/6 mice treated with gallic acid (100 mg/kg body weight) and acetylsalicylic acid (25 and 50 mg/kg body weight) to investigate their in vivo modulatory effects on the specific activities of drug metabolizing phase I and phase II enzymes, antioxidant enzymes and level of lipid peroxidation in liver. The order of ability to donate electron and antioxidant activity was found to be: gallic acid > quercetin > rutin > vanillin > acetylsalicylic acid. In ex vivo studies, the similar pattern and magnitude of inhibitory effects of these phytochemicals against peroxidative damage in microsomes and protein carbonyl in cytosolic fraction were observed. In in vivo studies, gallic acid and acetylsalicylic acid alone or in combination, enhanced the specific activities of drug metabolizing phase I and phase II enzymes as well as antioxidant enzymes and also inhibited lipid peroxidation in liver. These findings show a close link between the electron donation and antioxidation potential of these phytochemicals, and in turn their biological activity. Gallic acid, quercetin, rutin and vanillin were found to be better electron donors and antioxidants and therefore, might be mainly responsible for the antioxidant properties of S. aegyptiaca, while acetylsalicylic acid provided its maximum anti-inflammatory activity.

  15. Molecular and electronic structures of mononuclear iron complexes using strongly electron-donating ligands and their oxidized forms.

    PubMed

    Strautmann, Julia B H; George, Serena DeBeer; Bothe, Eberhard; Bill, Eckhard; Weyhermüller, Thomas; Stammler, Anja; Bögge, Hartmut; Glaser, Thorsten

    2008-08-04

    The ligand L (2-) (H 2L = N, N'-dimethyl- N, N'-bis(3,5-di- t-butyl-2-hydroxybenzyl)-1,2-diaminoethane) has been employed for the synthesis of two mononuclear Fe (III) complexes, namely, [LFe(eta (2)-NO 3)] and [LFeCl]. L (2-) is comprised of four strongly electron-donating groups (two tert-amines and two phenolates) that increase the electron density at the coordinated ferric ions. This property should facilitate oxidation of the complexes, that is, stabilization of the oxidized species. The molecular structures in the solid state have been established by X-ray diffraction studies. [LFeCl] is five-coordinate in a square-pyramidal coordination environment with the ligand adopting a trans-conformation, while [LFe(eta (2)-NO 3)] is six-coordinate in a distorted octahedral environment with the ligand in a beta-cis conformation. The electronic structures have been studied using magnetization, EPR, Mossbauer (with and without applied field), UV-vis-NIR, and X-ray absorption spectroscopies, which demonstrate highly anisotropic covalency from the strong sigma- and pi-donating phenolates. This analysis is supported by DFT calculations on [LFeCl]. The variations of the well-understood spectroscopic data in the solid state to the spectroscopic data in solution have been used to obtain insight in the molecular structure of the two complexes in solution. While the molecular structures of the solid states are retained in solutions of nonpolar aprotic solvents, there is, however, one common molecular structure in all protic polar solvents. The analysis of the LMCT transitions and the rhombicity E/ D clearly establish that both compounds exhibit a beta-cis conformation in these protic polar solvents. These two open coordination sites, cis to each other, allow access for two potential ligands in close proximity. Electrochemical analysis establishes two reversible oxidation waves for [LFeCl] at +0.55 V and +0.93 V vs Fc (+)/Fc and one reversible oxidation wave at +0.59 V with an irreversible oxidation at +1.07 V vs Fc (+)/Fc for [LFe(eta (2)-NO 3)]. The one- and the two-electron oxidations of [LFeCl] by chronoamperometry have been followed spectroscopically. The increase of a strong band centered at 420 nm indicates the formulation of [LFeCl] (+) as a Fe (III) monophenoxyl radical complex and of [LFeCl] (2+) as a Fe (III) bisphenoxyl radical complex. These studies imply that the ligand L (2-) is capable of providing a flexible coordination geometry with two binding sites for substrates and the allocation of two oxidation equivalents on the ligand.

  16. 48 CFR 245.7101-2 - DD Form 1149, Requisition and Invoice Shipping Document.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... DEFENSE ACQUISITION REGULATIONS SYSTEM, DEPARTMENT OF DEFENSE CONTRACT MANAGEMENT GOVERNMENT PROPERTY Plant Clearance Forms 245.7101-2 DD Form 1149, Requisition and Invoice Shipping Document. Use for transfer and donation of contractor inventory. Donations of industrial plant equipment may be shipped via...

  17. Hyperpolarizable compounds and devices fabricated therefrom

    DOEpatents

    Therien, Michael J.; DiMagno, Stephen G.

    1998-01-01

    Substituted compounds having relatively large molecular first order hyperpolarizabilities are provided, along with devices and materials containing them. In general, the compounds bear electron-donating and electron-withdrawing chemical substituents on a polyheterocyclic core.

  18. Synthesis and photophysical characterizations of thermal-stable naphthalene benzimidazoles.

    PubMed

    Erten-Ela, Sule; Ozcelik, Serdar; Eren, Esin

    2011-07-01

    Microwave-assisted synthesis, photophysical and electrochemical properties of thermal-stable naphthalene benzimidazoles and naphthalimides are studied in this paper. Microwave-assisted synthesis of naphthalene benzimidazoles provide higher yields than the conventional thermal synthesis. Comparative photophysical properties of naphthalene benzimidazoles and naphthalimides are revealed that conjugation of electron-donating group onto naphthalimide moiety increases fluorescence quantum yields. Fluorophore-solvent interactions are also investigated using Lippert-Mataga equation for naphthalimides and naphthalene benzimidazoles. Thermal stabilities of naphthalene benzimidazoles are better than naphthalimides due to increased aromaticity. The experimental E(LUMO) levels of naphthalene benzimidazoles are found to be between 3.15 and 3.28 eV. Therefore, naphthalene benzimidazole derivatives consisting of anchoring groups are promising materials in organic dye sensitized solar cells. © Springer Science+Business Media, LLC 2011

  19. Water-Soluble Fe(II)−H2O Complex with a Weak O−H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)−OH

    PubMed Central

    Brines, Lisa M.; Coggins, Michael K.; Poon, Penny Chaau Yan; Toledo, Santiago; Kaminsky, Werner; Kirk, Martin L.

    2015-01-01

    Understanding the metal ion properties that favor O−H bond formation versus cleavage should facilitate the development of catalysts tailored to promote a specific reaction, e.g., C−H activation or H2O oxidation. The first step in H2O oxidation involves the endothermic cleavage of a strong O−H bond (BDFE = 122.7 kcal/mol), promoted by binding the H2O to a metal ion, and by coupling electron transfer to proton transfer (PCET). This study focuses on details regarding how a metal ion’s electronic structure and ligand environment can tune the energetics of M(HO−H) bond cleavage. The synthesis and characterization of an Fe(II)−H2O complex, 1, that undergoes PCET in H2O to afford a rare example of a monomeric Fe(III)−OH, 7, is described. High-spin 7 is also reproducibly generated via the addition of H2O to {[FeIII(OMe2N4(tren))]2-(µ-O)}2+ (8). The O−H bond BDFE of Fe(II)−H2O (1) (68.6 kcal/mol) is calculated using linear fits to its Pourbaix diagram and shown to be 54.1 kcal/mol less than that of H2O and 10.9 kcal/mol less than that of [Fe(II)(H2O)6]2+. The O−H bond of 1 is noticeably weaker than the majority of reported Mn+(HxO−H) (M = Mn, Fe; n+ = 2+, 3+; x = 0, 1) complexes. Consistent with their relative BDFEs, Fe(II)−H2O (1) is found to donate a H atom to TEMPO•, whereas the majority of previously reported Mn+−O(H) complexes, including [MnIII(SMe2N4(tren))(OH)]+ (2), have been shown to abstract H atoms from TEMPOH. Factors responsible for the weaker O−H bond of 1, such as differences in the electron-donating properties of the ligand, metal ion Lewis acidity, and electronic structure, are discussed. PMID:25611075

  20. Giving Your Last Gift: A Study of the Knowledge, Attitude and Information of Greek Students Regarding Organ Donation.

    PubMed

    Katsari, Vasiliki; Domeyer, Philip J; Sarafis, Pavlos; Souliotis, Kyriakos

    2015-07-02

    Organ donation rates in Greece are the lowest in the European Union. Studying and improving young students' awareness may increase organ donation rates. This study aimed to investigate young students' knowledge, attitude and information regarding organ donation and whether they are modified by putative predictors. A 62-item electronic questionnaire was sent to 1451 eligible students aged 18-30 years in 16 Greek public technical schools. Two composite scales (knowledge and attitude) were created. The multivariate statistical analysis included ordinal logistic and linear regression, as appropriate. Only 37.9% of the students knew the correct definition of organ donation, 40.3% knew which organs can be donated, 27.4% were informed about the new Greek legislation, and 83.1% acknowledged the need for better information. Although 60.5% would donate an organ after death, only 16.1% would become living donors. Although 83.1% of the students declared knowing what brain death means, 18.6% believe that a brain-dead person could fully recover and 32.3% are unsure about it. Being a health professional or a blood donor, the parent's educational level, the wish to donate all organs after death, the information from announcements or posters, the fear of organ removal after death without prior consent, the consent for autopsy, the wish for better information, and the misbelief that a brain-dead person could fully recover emerged as important predictors of the knowledge and attitude, regarding organ donation. An important lack of knowledge and misperceptions were noted regarding organ donation. Significant predictors were identified.

  1. 36 CFR 1226.26 - How do agencies donate temporary records?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Administration, Modern Records Programs (NWM), 8601 Adelphi Road, College Park, MD 20740-6001, phone number (301... temporary records? 1226.26 Section 1226.26 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION RECORDS MANAGEMENT IMPLEMENTING DISPOSITION § 1226.26 How do agencies donate temporary records? (a...

  2. 36 CFR 1226.26 - How do agencies donate temporary records?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Administration, Modern Records Programs (NWM), 8601 Adelphi Road, College Park, MD 20740-6001, phone number (301... temporary records? 1226.26 Section 1226.26 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION RECORDS MANAGEMENT IMPLEMENTING DISPOSITION § 1226.26 How do agencies donate temporary records? (a...

  3. 36 CFR 1226.26 - How do agencies donate temporary records?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Administration, Modern Records Programs (NWM), 8601 Adelphi Road, College Park, MD 20740-6001, phone number (301... temporary records? 1226.26 Section 1226.26 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION RECORDS MANAGEMENT IMPLEMENTING DISPOSITION § 1226.26 How do agencies donate temporary records? (a...

  4. 36 CFR 1226.26 - How do agencies donate temporary records?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Administration, Modern Records Programs (NWM), 8601 Adelphi Road, College Park, MD 20740-6001, phone number (301... temporary records? 1226.26 Section 1226.26 Parks, Forests, and Public Property NATIONAL ARCHIVES AND RECORDS ADMINISTRATION RECORDS MANAGEMENT IMPLEMENTING DISPOSITION § 1226.26 How do agencies donate temporary records? (a...

  5. 29 CFR 95.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... buildings or land for construction/facilities acquisition projects or long-term use, the value of the.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  6. 29 CFR 95.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... buildings or land for construction/facilities acquisition projects or long-term use, the value of the.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  7. 29 CFR 95.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... buildings or land for construction/facilities acquisition projects or long-term use, the value of the.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  8. 29 CFR 95.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... buildings or land for construction/facilities acquisition projects or long-term use, the value of the.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  9. 45 CFR 74.23 - Cost sharing or matching.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... applicable cost principles. If the HHS awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost..., buildings and land for which title passes to the recipient may differ according to the purpose of the award...

  10. 45 CFR 74.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... applicable cost principles. If the HHS awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost..., buildings and land for which title passes to the recipient may differ according to the purpose of the award...

  11. 45 CFR 74.23 - Cost sharing or matching.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... applicable cost principles. If the HHS awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost..., buildings and land for which title passes to the recipient may differ according to the purpose of the award...

  12. 45 CFR 74.23 - Cost sharing or matching.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... applicable cost principles. If the HHS awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost..., buildings and land for which title passes to the recipient may differ according to the purpose of the award...

  13. 45 CFR 74.23 - Cost sharing or matching.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... applicable cost principles. If the HHS awarding agency authorizes recipients to donate buildings or land for construction/facilities acquisition projects or long-term use, the value of the donated property for cost..., buildings and land for which title passes to the recipient may differ according to the purpose of the award...

  14. 29 CFR 95.23 - Cost sharing or matching.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... buildings or land for construction/facilities acquisition projects or long-term use, the value of the.... (g) The method used for determining cost sharing or matching for donated equipment, buildings and... in the acquisition of equipment, buildings or land, the total value of the donated property may be...

  15. Knowledge and ethical perception regarding organ donation among medical students

    PubMed Central

    2013-01-01

    Background To determine the knowledge and ethical perception regarding organ donation amongst medical students in Karachi- Pakistan. Methods Data of this cross sectional study was collected by self administered questionnaire from MBBS students of Ziauddin University from 2010 to 2011. Sample size of 158 (83 First years and 75 Fourth years) were selected by convenient sampling and those students who were present and gave consent were included in the study. The data was analyzed by SPSS version 20. Results A total of 158 participants from Ziauddin Medical University filled out the questionnaire out of which 83(52.5%) were first years and 75(47.5%) were fourth year medical students. Mean age of sample was 20 ± 1.7. Majority of students were aware about organ donation with print and electronic media as the main source of information. 81.6% agreed that it was ethically correct to donate an organ. In the students’ opinion, most commonly donated organs and tissues were kidney, cornea, blood and platelet. Ideal candidates for donating organ were parents (81%). Regarding list of options for preference to receive an organ, most of the students agreed on young age group patients and persons with family. Willingness to donate was significantly associated with knowledge of allowance of organ donation in religion (P=0.000). Conclusion Both 1st year and 4th year students are aware of Organ Donation, but there is a significant lack of knowledge regarding the topic. PMID:24070261

  16. Hyperpolarizable compounds and devices fabricated therefrom

    DOEpatents

    Therien, M.J.; DiMagno, S.G.

    1998-07-21

    Substituted compounds having relatively large molecular first order hyperpolarizabilities are provided, along with devices and materials containing them. In general, the compounds bear electron-donating and electron-withdrawing chemical substituents on a polyheterocyclic core. 13 figs.

  17. Anchoring transition metal elements on graphene-like ZnO monolayer by CO molecule to obtain spin gapless semiconductor

    NASA Astrophysics Data System (ADS)

    Lei, Jie; Xu, Ming-Chun; Hu, Shu-Jun

    2017-09-01

    Graphene-like zinc oxide monolayer (g-ZnO) is a newfound two-dimensional material. Here we utilize the transition metal (TM) elements (Cr, Mn, Fe, Co, Ni, and Cu) to functionalize the g-ZnO with the aim of designing novel spintronics materials by using first-principles calculations. Our results show that although the adsorption of TM atoms can endow g-ZnO with magnetization and impurity states in the bandgap, the interaction between TM elements and g-ZnO is weak. We found that the attachment of CO molecule on TM is able to stabilize the TM elements on g-ZnO based on the 'donation and back-donation' mechanism. As a result, the adsorption energy of the CO-TM complex on g-ZnO is as high as 1.41-2.11 eV. Furthermore, the incorporation of CO molecule modulates the magnetic and electronic properties of the TM-decorated g-ZnO. In particular, the CO-Mn-g-ZnO is predicted to be a spin gapless semiconductor.

  18. Occurrence and removal of pharmaceuticals, hormones, personal care products, and endocrine disrupters in a full-scale water reclamation plant.

    PubMed

    Tran, Ngoc Han; Gin, Karina Yew-Hoong

    2017-12-01

    This study provided the first comprehensive data on the occurrence and removal of twenty-five target emerging contaminants (ECs) in a full-scale water reclamation plant (WRP) in the Southeast Asian region. Nineteen out of the twenty-five ECs were ubiquitously detected in raw influent samples. Concentrations of the detected ECs in raw influent samples ranged substantially from 44.3 to 124,966ng/L, depending upon the compound and sampling date. The elimination of ECs in full-scale conventional activated sludge (CAS) and membrane bioreactor (MBR) systems at a local WRP was evaluated and compared. Several ECs, such as acetaminophen, atenolol, fenoprofen, indomethacin, ibuprofen, and oxybenzone, exhibited excellent removal efficiencies (>90%) in biological wastewater treatment processes, while some of the investigated compounds (carbamazepine, crotamiton, diclofenac, and iopamidol) appeared to be persistent in the both CAS and MBR systems. Field-based monitoring results showed that MBR outperformed CAS in the elimination of most target ECs. The relationship between molecular characteristics of ECs (i.e. physicochemical properties and structural features) and their removal efficiencies during biological wastewater treatment was also elucidated. Excellent removal efficiencies (>90%) were often noted for ECs with the sole presence of electron donating groups (i.e. phenolic [OH], amine [NH 2 ], methoxy [OCH 3 ], phenoxy [OC 6 H 5 ], or alkyl groups). Conversely, ECs with the absence of electron donating groups or the predominance of strong electron withdrawing groups (e.g. halogenated, carbonyl, carboxyl, and sulfonamide) tended to show poor removal efficiencies (<30%) in biological wastewater treatment processes. Copyright © 2017 Elsevier B.V. All rights reserved.

  19. Substituents on Quinone Methides Strongly Modulate Formation and Stability of Their Nucleophilic Adducts

    PubMed Central

    Weinert, Emily E.; Dondi, Ruggero; Colloredo-Melz, Stefano; Frankenfield, Kristen N.; Mitchell, Charles H.; Freccero, Mauro; Rokita, Steven E.

    2008-01-01

    Electronic perturbation of quinone methides (QM) greatly influences their stability and in turn alters the kinetics and product profile of QM reaction with deoxynucleosides. Consistent with the electron deficient nature of this reactive intermediate, electron-donating substituents are stabilizing and electron-withdrawing substituents are destabilizing. For example, a dC N3-QM adduct is made stable over the course of observation (7 days) by the presence of an electron-withdrawing ester group that inhibits QM regeneration. Conversely, a related adduct with an electron donating methyl group is very labile and regenerates its QM with a half-life of approximately 5 hr. The generality of these effects is demonstrated with a series of alternative quinone methide precursors (QMP) containing a variety of substituents attached at different positions with respect to the exocyclic methylene. The rates of nucleophilic addition to substituted QMs measured by laser flash photolysis similarly span five orders of magnitude with electron rich species reacting most slowly and electron deficient species reacting most quickly. The reversibility of QM reaction can now be predictably adjusted for any desired application. PMID:16953635

  20. Umbilical cord blood: a guide for primary care physicians.

    PubMed

    Martin, Paul L; Kurtzberg, Joanne; Hesse, Brett

    2011-09-15

    Umbilical cord blood stem cell transplants are used to treat a variety of oncologic, genetic, hematologic, and immunodeficiency disorders. Physicians have an important role in educating, counseling, and offering umbilical cord blood donation and storage options to patients. Parents may donate their infant's cord blood to a public bank, pay to store it in a private bank, or have it discarded. The federal government and many state governments have passed laws and issued regulations regarding umbilical cord blood, and some states require physicians to discuss cord blood options with pregnant women. Five prominent medical organizations have published recommendations about cord blood donation and storage. Current guidelines recommend donation of umbilical cord blood to public banks when possible, or storage through the Related Donor Cord Blood Program when a sibling has a disease that may require a stem cell transplant. Experts do not currently recommend private banking for unidentified possible future use. Step-by-step guidance and electronic resources are available to physicians whose patients are considering saving or donating their infant's umbilical cord blood.

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