WorldWideScience

Sample records for quinone acceptor qa

  1. Comparative evaluation of the acceptor properties of quinone derivatized polypyridinic ligands

    Energy Technology Data Exchange (ETDEWEB)

    Norambuena, Ester [Departamento de Quimica, Facultad de Ciencias Basicas, Universidad Metropolitana de Ciencias de la Educacion, Santiago (Chile); Olea-Azar, Claudio [Facultad de Ciencias Quimicas y Farmaceuticas, Universidad de Chile, Santiago (Chile); Delgadillo, Alvaro [Departamento de Quimica, Facultad de Ciencias, Universidad de La Serena, Casilla 599, La Serena (Chile); Barrera, Mauricio [Facultad de Quimica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago (Chile); Loeb, Barbara, E-mail: bloeb@puc.cl [Facultad de Quimica, Pontificia Universidad Catolica de Chile, Casilla 306, Santiago (Chile)

    2009-05-18

    The reduction properties of four acceptor polipyridyl ligands modified with quinones were studied by different experimental methods, as cyclic voltammetry and ESR spectroscopy, and by theoretical calculations. ESR spectra for the reduced ligands show different patterns among them, suggesting that the quinone moiety plays an important role in the delocalization of the received electron. The hyperfine coupling constants calculated for the magnetic nucleus were in good agreement with experimental data. The results were additionally interpreted with the help of two theoretical predictors: the electrophilicity index and the Fukui function obtained through the spin density. The results suggest that 12,17-dihydronaphtho-[2,3-h]dipyrido[3,2-a:2',3'-c]-phenazine-12,17-dione, Aqphen, shows the most promising behavior to be employed as an acceptor ligand in complexes with potential application in NLO devices.

  2. Comparative evaluation of the acceptor properties of quinone derivatized polypyridinic ligands

    International Nuclear Information System (INIS)

    Norambuena, Ester; Olea-Azar, Claudio; Delgadillo, Alvaro; Barrera, Mauricio; Loeb, Barbara

    2009-01-01

    The reduction properties of four acceptor polipyridyl ligands modified with quinones were studied by different experimental methods, as cyclic voltammetry and ESR spectroscopy, and by theoretical calculations. ESR spectra for the reduced ligands show different patterns among them, suggesting that the quinone moiety plays an important role in the delocalization of the received electron. The hyperfine coupling constants calculated for the magnetic nucleus were in good agreement with experimental data. The results were additionally interpreted with the help of two theoretical predictors: the electrophilicity index and the Fukui function obtained through the spin density. The results suggest that 12,17-dihydronaphtho-[2,3-h]dipyrido[3,2-a:2',3'-c]-phenazine-12,17-dione, Aqphen, shows the most promising behavior to be employed as an acceptor ligand in complexes with potential application in NLO devices.

  3. Tuning cofactor redox potentials: the 2-methoxy dihedral angle generates a redox potential difference of >160 mV between the primary (Q(A)) and secondary (Q(B)) quinones of the bacterial photosynthetic reaction center.

    Science.gov (United States)

    Taguchi, Alexander T; Mattis, Aidas J; O'Malley, Patrick J; Dikanov, Sergei A; Wraight, Colin A

    2013-10-15

    Only quinones with a 2-methoxy group can act simultaneously as the primary (QA) and secondary (QB) electron acceptors in photosynthetic reaction centers from Rhodobacter sphaeroides. (13)C hyperfine sublevel correlation measurements of the 2-methoxy in the semiquinone states, SQA and SQB, were compared with quantum mechanics calculations of the (13)C couplings as a function of the dihedral angle. X-ray structures support dihedral angle assignments corresponding to a redox potential gap (ΔEm) between QA and QB of ~180 mV. This is consistent with the failure of a ubiquinone analogue lacking the 2-methoxy to function as QB in mutant reaction centers with a ΔEm of ≈160-195 mV.

  4. Comparison of calculated and experimental isotope edited FTIR difference spectra for purple bacterial photosynthetic reaction centers with different quinones incorporated into the QA binding site.

    Directory of Open Access Journals (Sweden)

    Nan eZhao

    2013-08-01

    Full Text Available Previously we have shown that ONIOM type (QM/MM calculations can be used to simulate isotope edited FTIR difference spectra for neutral ubiquinone in the QA binding site in Rhodobacter sphaeroides photosynthetic reaction centers. Here we considerably extend upon this previous work by calculating isotope edited FTIR difference spectra for reaction centers with a variety of unlabeled and 18O labeled foreign quinones incorporated into the QA binding site. Isotope edited spectra were calculated for reaction centers with 2,3-dimethoxy-5,6-dimethyl-1,4-benzoquinone (MQ0, 2,3,5,6-tetramethyl-1,4-benzoquinone (duroquinone, DQ, and 2,3-dimethyl-l,4-naphthoquinone (DMNQ incorporated, and compared to corresponding experimental spectra. The calculated and experimental spectra agree well, further demonstrating the utility and applicability of our ONIOM approach for calculating the vibrational properties of pigments in protein binding sites.The normal modes that contribute to the bands in the calculated spectra, their composition, frequency and intensity, and how these quantities are modified upon 18O labeling, are presented. This computed information leads to a new and more detailed understanding/interpretation of the experimental FTIR difference spectra. Hydrogen bonding to the carbonyl groups of the incorporated quinones is shown to be relatively weak. It is also shown that there is some asymmetry in hydrogen bonding, accounting for 10-13 cm-1 separation in the frequencies of the carbonyl vibrational modes of the incorporated quinones. The extent of asymmetry H-bonding could only be established by considering the spectra for various types of quinones incorporated into the QA binding site. The quinones listed above are tail-less. Spectra were also calculated for reaction centers with corresponding tail containing quinones incorporated, and it is found that replacement of the quinone methyl group by a phytyl or prenyl chain does not alter ONIOM calculated s

  5. Kinetic modeling of electron transfer reactions in photosystem I complexes of various structures with substituted quinone acceptors.

    Science.gov (United States)

    Milanovsky, Georgy E; Petrova, Anastasia A; Cherepanov, Dmitry A; Semenov, Alexey Yu

    2017-09-01

    The reduction kinetics of the photo-oxidized primary electron donor P 700 in photosystem I (PS I) complexes from cyanobacteria Synechocystis sp. PCC 6803 were analyzed within the kinetic model, which considers electron transfer (ET) reactions between P 700 , secondary quinone acceptor A 1 , iron-sulfur clusters and external electron donor and acceptors - methylviologen (MV), 2,3-dichloro-naphthoquinone (Cl 2 NQ) and oxygen. PS I complexes containing various quinones in the A 1 -binding site (phylloquinone PhQ, plastoquinone-9 PQ and Cl 2 NQ) as well as F X -core complexes, depleted of terminal iron-sulfur F A /F B clusters, were studied. The acceleration of charge recombination in F X -core complexes by PhQ/PQ substitution indicates that backward ET from the iron-sulfur clusters involves quinone in the A 1 -binding site. The kinetic parameters of ET reactions were obtained by global fitting of the P 700 + reduction with the kinetic model. The free energy gap ΔG 0 between F X and F A /F B clusters was estimated as -130 meV. The driving force of ET from A 1 to F X was determined as -50 and -220 meV for PhQ in the A and B cofactor branches, respectively. For PQ in A 1A -site, this reaction was found to be endergonic (ΔG 0  = +75 meV). The interaction of PS I with external acceptors was quantitatively described in terms of Michaelis-Menten kinetics. The second-order rate constants of ET from F A /F B , F X and Cl 2 NQ in the A 1 -site of PS I to external acceptors were estimated. The side production of superoxide radical in the A 1 -site by oxygen reduction via the Mehler reaction might comprise ≥0.3% of the total electron flow in PS I.

  6. The interaction of quinones, herbicides and bicarbonate with their binding environment at the acceptor side of photosystem II in photosynthesis

    NARCIS (Netherlands)

    Vermaas, W.F.J.

    1984-01-01

    In this thesis experiments are described which are directed towards a further characterization of the interaction of the native bound plastoquinone Q B , artificial quinones, herbicides and bicarbonate with their binding environment at the acceptor side of Photosystem II in

  7. On the chlorophill a fluorescence yield in chloroplasts upon excitation with twin turnover flashes (TTF) and high frequency flash trains

    NARCIS (Netherlands)

    Vredenberg, W.J.; Prasil, O.; Durchan, M.

    2007-01-01

    Chlorophyll fluorescence is routinely taken as a quantifiable measure of the redox state of the primary quinone acceptor QA of PSII. The variable fluorescence in thylakoids increases in a single turnover flash (STF) from its low dark level F o towards a maximum F mSTF when QA becomes reduced. We

  8. Redox potential tuning through differential quinone binding in the photosynthetic reaction center of Rhodobacter sphaeroides.

    Science.gov (United States)

    Vermaas, Josh V; Taguchi, Alexander T; Dikanov, Sergei A; Wraight, Colin A; Tajkhorshid, Emad

    2015-03-31

    Ubiquinone forms an integral part of the electron transport chain in cellular respiration and photosynthesis across a vast number of organisms. Prior experimental results have shown that the photosynthetic reaction center (RC) from Rhodobacter sphaeroides is only fully functional with a limited set of methoxy-bearing quinones, suggesting that specific interactions with this substituent are required to drive electron transport and the formation of quinol. The nature of these interactions has yet to be determined. Through parameterization of a CHARMM-compatible quinone force field and subsequent molecular dynamics simulations of the quinone-bound RC, we have investigated and characterized the interactions of the protein with the quinones in the Q(A) and Q(B) sites using both equilibrium simulation and thermodynamic integration. In particular, we identify a specific interaction between the 2-methoxy group of ubiquinone in the Q(B) site and the amide nitrogen of GlyL225 that we implicate in locking the orientation of the 2-methoxy group, thereby tuning the redox potential difference between the quinones occupying the Q(A) and Q(B) sites. Disruption of this interaction leads to weaker binding in a ubiquinone analogue that lacks a 2-methoxy group, a finding supported by reverse electron transfer electron paramagnetic resonance experiments of the Q(A)⁻Q(B)⁻ biradical and competitive binding assays.

  9. The metabolism and toxicity of quinones, quinonimines, quinone methides, and quinone-thioethers.

    Science.gov (United States)

    Monks, Terrence J; Jones, Douglas C

    2002-08-01

    Quinones are ubiquitous in nature and constitute an important class of naturally occurring compounds found in plants, fungi and bacteria. Human exposure to quinones therefore occurs via the diet, but also clinically or via airborne pollutants. For example, the quinones of polycyclic aromatic hydrocarbons are prevalent as environmental contaminants and provide a major source of current human exposure to quinones. The inevitable human exposure to quinones, and the inherent reactivity of quinones, has stimulated substantial research on the chemistry and toxicology of these compounds. From a toxicological perspective, quinones possess two principal chemical properties that confer their reactivity in biological systems. Quinones are oxidants and electrophiles, and the relative contribution of these properties to quinone toxicity is influenced by chemical structure, in particular substituent effects. Modification to the quinone nucleus also influences quinone metabolism. This review will therefore focus on the differences in structure and metabolism of quinones, and how such differences influence quinone toxicology. Specific examples will be discussed to illustrate the diverse manner by which quinones interact with biological systems to initiate and propagate a toxic response.

  10. Conformational heterogeneity of the bacteriopheophytin electron acceptor HA in reaction centers from Rhodopseudomonas viridis revealed by Fourier transform infrared spectroscopy and site-directed mutagenesis.

    Science.gov (United States)

    Breton, J; Bibikova, M; Oesterhelt, D; Nabedryk, E

    1999-08-31

    The light-induced Fourier transform infrared (FTIR) difference spectra corresponding to the photoreduction of either the HA bacteriopheophytin electron acceptor (HA-/HA spectrum) or the QA primary quinone (QA-/QA spectrum) in photosynthetic reaction centers (RCs) of Rhodopseudomonas viridis are reported. These spectra have been compared for wild-type (WT) RCs and for two site-directed mutants in which the proposed interactions between the carbonyls on ring V of HA and the RC protein have been altered. In the mutant EQ(L104), the putative hydrogen bond between the protein and the 9-keto C=O of HA should be affected by changing Glu L104 to a Gln. In the mutant WF(M250), the van der Waals interactions between Trp M250 and the 10a-ester C=O of HA should be modified. The characteristic effects of both mutations on the FTIR spectra support the proposed interactions and allow the IR modes of the 9-keto and 10a-ester C=O of HA and HA- to be assigned. Comparison of the HA-/HA and QA-/QA spectra leads us to conclude that the QA-/QA IR signals in the spectral range above 1700 cm-1 are largely dominated by contributions from the electrostatic response of the 10a-ester C=O mode of HA upon QA photoreduction. A heterogeneity in the conformation of the 10a-ester C=O mode of HA in WT RCs, leading to three distinct populations of HA, appears to be related to differences in the hydrogen-bonding interactions between the carbonyls of ring V of HA and the RC protein. The possibility that this structural heterogeneity is related to the observed multiexponential kinetics of electron transfer and the implications for primary processes are discussed. The effect of 1H/2H exchange on the QA-/QA spectra of the WT and mutant RCs shows that neither Glu L104 nor any other exchangeable carboxylic residue changes appreciably its protonation state upon QA reduction.

  11. Quinone exchange at the A{sub 1} site in photosystem I [PSI

    Energy Technology Data Exchange (ETDEWEB)

    Barkoff, A.; Brunkan, N.; Snyder, S.W.; Ostafin, A.; Werst, M.; Thurnauer, M.C. [Argonne National Lab., IL (United States); Biggins, J. [Brown Univ., Providence, RI (United States)

    1995-12-31

    Quinones play an essential role in light-induced electron transport in photosynthetic reaction centers (RC). Study of quinone binding within the protein matrix of the RC is a focal point of understanding the biological optimization of photosynthesis. In plant and cyanobacterial PSI, phylloquinone (K{sub 1}) is believed to be the secondary electron acceptor, A{sub 1}, similar to Q{sub a} in the purple bacterial RC. Photoinduced electron transfer is initiated by reduction of the electron acceptor (A{sub 0}), a chlorophyll species, by the photoexcited primary donor *P{sub 700}. A{sub 1} acts as a transient redox intermediate between A{sub 0} and the iron-sulfur centers (FeS). We have examined the characteristic PSI electron spin polarized (ESP) electron paramagnetic resonance (EPR) signal as a marker of the interacting radical pairs developed during electron transfer.

  12. Quinone reduction via secondary B-branch electron transfer in mutant bacterial reaction centers.

    Science.gov (United States)

    Laible, Philip D; Kirmaier, Christine; Udawatte, Chandani S M; Hofman, Samuel J; Holten, Dewey; Hanson, Deborah K

    2003-02-18

    Symmetry-related branches of electron-transfer cofactors-initiating with a primary electron donor (P) and terminating in quinone acceptors (Q)-are common features of photosynthetic reaction centers (RC). Experimental observations show activity of only one of them-the A branch-in wild-type bacterial RCs. In a mutant RC, we now demonstrate that electron transfer can occur along the entire, normally inactive B-branch pathway to reduce the terminal acceptor Q(B) on the time scale of nanoseconds. The transmembrane charge-separated state P(+)Q(B)(-) is created in this manner in a Rhodobacter capsulatus RC containing the F(L181)Y-Y(M208)F-L(M212)H-W(M250)V mutations (YFHV). The W(M250)V mutation quantitatively blocks binding of Q(A), thereby eliminating Q(B) reduction via the normal A-branch pathway. Full occupancy of the Q(B) site by the native UQ(10) is ensured (without the necessity of reconstitution by exogenous quinone) by purification of RCs with the mild detergent, Deriphat 160-C. The lifetime of P(+)Q(B)(-) in the YFHV mutant RC is >6 s (at pH 8.0, 298 K). This charge-separated state is not formed upon addition of competitive inhibitors of Q(B) binding (terbutryn or stigmatellin). Furthermore, this lifetime is much longer than the value of approximately 1-1.5 s found when P(+)Q(B)(-) is produced in the wild-type RC by A-side activity alone. Collectively, these results demonstrate that P(+)Q(B)(-) is formed solely by activity of the B-branch carriers in the YFHV RC. In comparison, P(+)Q(B)(-) can form by either the A or B branches in the YFH RC, as indicated by the biexponential lifetimes of approximately 1 and approximately 6-10 s. These findings suggest that P(+)Q(B)(-) states formed via the two branches are distinct and that P(+)Q(B)(-) formed by the B side does not decay via the normal (indirect) pathway that utilizes the A-side cofactors when present. These differences may report on structural and energetic factors that further distinguish the functional

  13. Modification of quinone electrochemistry by the proteins in the biological electron transfer chains: examples from photosynthetic reaction centers

    Science.gov (United States)

    Gunner, M. R.; Madeo, Jennifer; Zhu, Zhenyu

    2009-01-01

    Quinones such as ubiquinone are the lipid soluble electron and proton carriers in the membranes of mitochondria, chloroplasts and oxygenic bacteria. Quinones undergo controlled redox reactions bound to specific sites in integral membrane proteins such as the cytochrome bc1 oxidoreductase. The quinone reactions in bacterial photosynthesis are amongst the best characterized, presenting a model to understand how proteins modulate cofactor chemistry. The free energy of ubiquinone redox reactions in aqueous solution and in the QA and QB sites of the bacterial photosynthetic reaction centers (RCs) are compared. In the primary QA site ubiquinone is reduced only to the anionic semiquinone (Q•−) while in the secondary QB site the product is the doubly reduced, doubly protonated quinol (QH2). The ways in which the protein modifies the relative energy of each reduced and protonated intermediate are described. For example, the protein stabilizes Q•− while destabilizing Q= relative to aqueous solution through electrostatic interactions. In addition, kinetic and thermodynamic mechanisms for stabilizing the intermediate semiquinones are compared. Evidence for the protein sequestering anionic compounds by slowing both on and off rates as well as by binding the anion more tightly is reviewed. PMID:18979192

  14. The unusually strong hydrogen bond between the carbonyl of Q(A) and His M219 in the Rhodobacter sphaeroides reaction center is not essential for efficient electron transfer from Q(A)(-) to Q(B).

    Science.gov (United States)

    Breton, Jacques; Lavergne, Jérôme; Wakeham, Marion C; Nabedryk, Eliane; Jones, Michael R

    2007-06-05

    In native reaction centers (RCs) from photosynthetic purple bacteria the primary quinone (QA) and the secondary quinone (QB) are interconnected via a specific His-Fe-His bridge. In Rhodobacter sphaeroides RCs the C4=O carbonyl of QA forms a very strong hydrogen bond with the protonated Npi of His M219, and the Ntau of this residue is in turn coordinated to the non-heme iron atom. The second carbonyl of QA is engaged in a much weaker hydrogen bond with the backbone N-H of Ala M260. In previous work, a Trp side chain was introduced by site-directed mutagenesis at the M260 position in the RC of Rb. sphaeroides, resulting in a complex that is completely devoid of QA and therefore nonfunctional. A photochemically competent derivative of the AM260W mutant was isolated that contains a Cys side chain at the M260 position (denoted AM260(W-->C)). In the present work, the interactions between the carbonyl groups of QA and the protein in the AM260(W-->C) suppressor mutant have been characterized by light-induced FTIR difference spectroscopy of the photoreduction of QA. The QA-/QA difference spectrum demonstrates that the strong interaction between the C4=O carbonyl of QA and His M219 is lost in the mutant, and the coupled CO and CC modes of the QA- semiquinone are also strongly perturbed. In parallel, a band assigned to the perturbation of the C5-Ntau mode of His M219 upon QA- formation in the native RC is lacking in the spectrum of the mutant. Furthermore, a positive band between 2900 and 2400 cm-1 that is related to protons fluctuating within a network of highly polarizable hydrogen bonds in the native RC is reduced in amplitude in the mutant. On the other hand, the QB-/QB FTIR difference spectrum is essentially the same as for the native RC. The kinetics of electron transfer from QA- to QB were measured by the flash-induced absorption changes at 780 nm. Compared to native RCs the absorption transients are slowed by a factor of about 2 for both the slow phase (in the

  15. Some experiments on the primary electron acceptor in reaction centres from Rhodopseudomanas sphaeroides

    Energy Technology Data Exchange (ETDEWEB)

    Wraight, C A; Cogdell, R J; Clayton, R K

    1975-01-01

    The bacterial reaction center absorbance change at 450 nm (A-450), assigned to an anionic semiquinone, has been suggested as a candidate for the reduced form of the primary electron acceptor in bacterial photosynthesis. In reaction centers of Rhodopseudomonas sphaeroides we have found kinetic discrepancies between the decay of A-450 and the recovery of photochemical competence. In addition, no proton uptake is measurable on the first turnover, although subsequent ones elicit one proton bound per electron. These results are taken to indicate that the acceptor reaction after a long dark period may be different for the first turnover than for subsequent ones. It is suggested that A-450 is still a likely candidate for the acceptor function but that in reaction centers, additional quinone may act as an adventitious primary acceptor when the ''true'' primary acceptor is reduced. Alternatively, the primary acceptor may act in a ''ping-pong'' fashion with respect to subsequent photoelectrons.

  16. Chemical proprieties of the iron-quinone complex in mutated reaction centers of Rb. sphaeroides

    International Nuclear Information System (INIS)

    Hałas, Agnieszka; Derrien, Valerie; Sebban, Pierre; Matlak, Krzysztof; Korecki, Józef; Kruk, Jerzy; Burda, Kvĕtoslava

    2012-01-01

    We investigated type II bacterial photosynthetic reaction centers, which contain a quinone - iron complex (Q A -Fe-Q B ) on their acceptor side. Under physiological conditions it was observed mainly in a reduced high spin state but its low spin ferrous states were also observed. Therefore, it was suggested that it might regulate the dynamical properties of the iron–quinone complex and the protonation and deprotonation events in its neighbourhood. In order to get insight into the molecular mechanism of the NHFe low spin state formation, we preformed Mössbauer studies of a wild type of Rb. sphaeroides and its two mutated forms. Our Mössbauer measurements show that the hydrophobicity of the Q A binding site can be crucial for stabilization of the high spin ferrous state of NHFe.

  17. Post-translational modifications near the quinone binding site of mammalian complex I.

    Science.gov (United States)

    Carroll, Joe; Ding, Shujing; Fearnley, Ian M; Walker, John E

    2013-08-23

    Complex I (NADH:ubiquinone oxidoreductase) in mammalian mitochondria is an L-shaped assembly of 44 protein subunits with one arm buried in the inner membrane of the mitochondrion and the orthogonal arm protruding about 100 Å into the matrix. The protruding arm contains the binding sites for NADH, the primary acceptor of electrons flavin mononucleotide (FMN), and a chain of seven iron-sulfur clusters that carries the electrons one at a time from FMN to a coenzyme Q molecule bound in the vicinity of the junction between the two arms. In the structure of the closely related bacterial enzyme from Thermus thermophilus, the quinone is thought to bind in a tunnel that spans the interface between the two arms, with the quinone head group close to the terminal iron-sulfur cluster, N2. The tail of the bound quinone is thought to extend from the tunnel into the lipid bilayer. In the mammalian enzyme, it is likely that this tunnel involves three of the subunits of the complex, ND1, PSST, and the 49-kDa subunit. An arginine residue in the 49-kDa subunit is symmetrically dimethylated on the ω-N(G) and ω-N(G') nitrogen atoms of the guanidino group and is likely to be close to cluster N2 and to influence its properties. Another arginine residue in the PSST subunit is hydroxylated and probably lies near to the quinone. Both modifications are conserved in mammalian enzymes, and the former is additionally conserved in Pichia pastoris and Paracoccus denitrificans, suggesting that they are functionally significant.

  18. Resistance to the photosystem II herbicide diuron is dominant to sensitivity in the cyanobacterium Synechococcus sp. PCC7942

    OpenAIRE

    Brusslan, Judy; Haselkorn, Robert

    1989-01-01

    The transformable cyanobacterium, Synechococcus sp. PCC7942, was used to study the genetics of resistance to the herbicide diuron. In wild-type cells, diuron binds to one of the core proteins, called D1, of photosystem II reaction centres. This binding prevents the transfer of electrons from QA, the primary quinone acceptor, to QB, which is necessary to create the charge separation that drives ATP synthesis. A single amino acid substitution in the D1 protein reduces diuron binding and confers...

  19. Conformational differences between the methoxy groups of QA and QB site ubisemiquinones in bacterial reaction centers: a key role for methoxy group orientation in modulating ubiquinone redox potential.

    Science.gov (United States)

    Taguchi, Alexander T; O'Malley, Patrick J; Wraight, Colin A; Dikanov, Sergei A

    2013-07-09

    Ubiquinone is an almost universal, membrane-associated redox mediator. Its ability to accept either one or two electrons allows it to function in critical roles in biological electron transport. The redox properties of ubiquinone in vivo are determined by its environment in the binding sites of proteins and by the dihedral angle of each methoxy group relative to the ring plane. This is an attribute unique to ubiquinone among natural quinones and could account for its widespread function with many different redox complexes. In this work, we use the photosynthetic reaction center as a model system for understanding the role of methoxy conformations in determining the redox potential of the ubiquinone/semiquinone couple. Despite the abundance of X-ray crystal structures for the reaction center, quinone site resolution has thus far been too low to provide a reliable measure of the methoxy dihedral angles of the primary and secondary quinones, QA and QB. We performed 2D ESEEM (HYSCORE) on isolated reaction centers with ubiquinones (13)C-labeled at the headgroup methyl and methoxy substituents, and have measured the (13)C isotropic and anisotropic components of the hyperfine tensors. Hyperfine couplings were compared to those derived by DFT calculations as a function of methoxy torsional angle allowing estimation of the methoxy dihedral angles for the semiquinones in the QA and QB sites. Based on this analysis, the orientation of the 2-methoxy groups are distinct in the two sites, with QB more out of plane by 20-25°. This corresponds to an ≈50 meV larger electron affinity for the QB quinone, indicating a substantial contribution to the experimental difference in redox potentials (60-75 mV) of the two quinones. The methods developed here can be readily extended to ubiquinone-binding sites in other protein complexes.

  20. QA programme documentation

    International Nuclear Information System (INIS)

    Scheibelt, L.

    1980-01-01

    The present paper deals with the following topics: The need for a documented Q.A. program; Establishing a Q.A. program; Q.A. activities; Fundamental policies; Q.A. policies; Quality objectives Q.A. manual. (orig./RW)

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

    Science.gov (United States)

    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

  2. Structure activity study on the quinone/quinone methide chemistry of flavonoids

    NARCIS (Netherlands)

    Awad, H.M.; Boersma, M.G.; Boeren, S.; Bladeren, van P.J.; Vervoort, J.; Rietjens, I.M.C.M.

    2001-01-01

    A structure-activity study on the quinone/quinone methide chemistry of a series of 3',4'-dihydroxyflavonoids was performed. Using the glutathione trapping method followed by HPLC, 1H NMR, MALDI-TOF, and LC/MS analysis to identify the glutathionyl adducts, the chemical behavior of the

  3. Electrocoagulation of Quinone Pigments

    Directory of Open Access Journals (Sweden)

    Duang Buddhasukh

    2006-07-01

    Full Text Available Some representative quinones, viz. one naphthoquinone (plumbagin and five anthraquinones (alizarin, purpurin, chrysazin, emodin, and anthrarufin, were subjected to electrocoagulation. It was found that the rate and extent of coagulation of these compounds appears to correlate with the number and relative position of their phenolic substituent groups, and that all of the coagulated quinones could be recovered. Attempts were then made to electrochemically isolate three quinones, namely plumbagin, morindone and erythrolaccin, from natural sources.

  4. Quinone-Catalyzed Selective Oxidation of Organic Molecules

    Science.gov (United States)

    Wendlandt, Alison E.

    2016-01-01

    Lead In Quinones are common stoichiometric reagents in organic chemistry. High potential para-quinones, such as DDQ and chloranil, are widely used and typically promote hydride abstraction. In recent years, many catalytic applications of these methods have been achieved by using transition metals, electrochemistry or O2 to regenerate the oxidized quinone in situ. Complementary studies have led to the development of a different class of quinones that resemble the ortho-quinone cofactors in Copper Amine Oxidases and mediate efficient and selective aerobic and/or electrochemical dehydrogenation of amines. The latter reactions typically proceed via electrophilic transamination and/or addition-elimination reaction mechanisms, rather than hydride abstraction pathways. The collective observations show that the quinone structure has a significant influence on the reaction mechanism and have important implications for the development of new quinone reagents and quinone-catalyzed transformations. PMID:26530485

  5. Enzyme-Initiated Quinone-Chitosan Conjugation Chemistry: Toward A General in Situ Strategy for High-Throughput Photoelectrochemical Enzymatic Bioanalysis.

    Science.gov (United States)

    Wang, Guang-Li; Yuan, Fang; Gu, Tiantian; Dong, Yuming; Wang, Qian; Zhao, Wei-Wei

    2018-02-06

    Herein we report a general and novel strategy for high-throughput photoelectrochemical (PEC) enzymatic bioanalysis on the basis of enzyme-initiated quinone-chitosan conjugation chemistry (QCCC). Specifically, the strategy was illustrated by using a model quinones-generating oxidase of tyrosinase (Tyr) to catalytically produce 1,2-bezoquinone or its derivative, which can easily and selectively be conjugated onto the surface of the chitosan deposited PbS/NiO/FTO photocathode via the QCCC. Upon illumination, the covalently attached quinones could act as electron acceptors of PbS quantum dots (QDs), improving the photocurrent generation and thus allowing the elegant probing of Tyr activity. Enzyme cascades, such as alkaline phosphatase (ALP)/Tyr and β-galactosidase (Gal)/Tyr, were further introduced into the system for the successful probing of the corresponding targets. This work features not only the first use of QCCC in PEC bioanalysis but also the separation of enzymatic reaction from the photoelectrode as well as the direct signal recording in a split-type protocol, which enables quite convenient and high-throughput detection as compared to previous formats. More importantly, by using numerous other oxidoreductases that involve quinones as reactants/products, this protocol could serve as a common basis for the development of a new class of QCCC-based PEC enzymatic bioanalysis and further extended for general enzyme-labeled PEC bioanalysis of versatile targets.

  6. The role of quinone reductase (NQO1) and quinone chemistry in quercetin cytotoxicity

    NARCIS (Netherlands)

    Gliszczynska-Swiglo, A.; Woude, van der H.; Haan, de L.H.J.; Tyrakowska, B.; Aarts, J.M.M.J.G.; Rietjens, I.M.C.M.

    2003-01-01

    The effects of quercetin on viability and proliferation of Chinese Hamster Ovary (CHO) cells and CHO cells overexpressing human quinone reductase (CHO+NQO1) were studied to investigate the involvement of the pro-oxidant quinone chemistry of quercetin. The toxicity of menadione was significantly

  7. Quinone-induced protein handling changes: Implications for major protein handling systems in quinone-mediated toxicity

    International Nuclear Information System (INIS)

    Xiong, Rui; Siegel, David; Ross, David

    2014-01-01

    Para-quinones such as 1,4-Benzoquinone (BQ) and menadione (MD) and ortho-quinones including the oxidation products of catecholamines, are derived from xenobiotics as well as endogenous molecules. The effects of quinones on major protein handling systems in cells; the 20/26S proteasome, the ER stress response, autophagy, chaperone proteins and aggresome formation, have not been investigated in a systematic manner. Both BQ and aminochrome (AC) inhibited proteasomal activity and activated the ER stress response and autophagy in rat dopaminergic N27 cells. AC also induced aggresome formation while MD had little effect on any protein handling systems in N27 cells. The effect of NQO1 on quinone induced protein handling changes and toxicity was examined using N27 cells stably transfected with NQO1 to generate an isogenic NQO1-overexpressing line. NQO1 protected against BQ–induced apoptosis but led to a potentiation of AC- and MD-induced apoptosis. Modulation of quinone-induced apoptosis in N27 and NQO1-overexpressing cells correlated only with changes in the ER stress response and not with changes in other protein handling systems. These data suggested that NQO1 modulated the ER stress response to potentiate toxicity of AC and MD, but protected against BQ toxicity. We further demonstrated that NQO1 mediated reduction to unstable hydroquinones and subsequent redox cycling was important for the activation of the ER stress response and toxicity for both AC and MD. In summary, our data demonstrate that quinone-specific changes in protein handling are evident in N27 cells and the induction of the ER stress response is associated with quinone-mediated toxicity. - Highlights: • Unstable hydroquinones contributed to quinone-induced ER stress and toxicity

  8. Quinone-induced protein handling changes: Implications for major protein handling systems in quinone-mediated toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Rui; Siegel, David; Ross, David, E-mail: david.ross@ucdenver.edu

    2014-10-15

    Para-quinones such as 1,4-Benzoquinone (BQ) and menadione (MD) and ortho-quinones including the oxidation products of catecholamines, are derived from xenobiotics as well as endogenous molecules. The effects of quinones on major protein handling systems in cells; the 20/26S proteasome, the ER stress response, autophagy, chaperone proteins and aggresome formation, have not been investigated in a systematic manner. Both BQ and aminochrome (AC) inhibited proteasomal activity and activated the ER stress response and autophagy in rat dopaminergic N27 cells. AC also induced aggresome formation while MD had little effect on any protein handling systems in N27 cells. The effect of NQO1 on quinone induced protein handling changes and toxicity was examined using N27 cells stably transfected with NQO1 to generate an isogenic NQO1-overexpressing line. NQO1 protected against BQ–induced apoptosis but led to a potentiation of AC- and MD-induced apoptosis. Modulation of quinone-induced apoptosis in N27 and NQO1-overexpressing cells correlated only with changes in the ER stress response and not with changes in other protein handling systems. These data suggested that NQO1 modulated the ER stress response to potentiate toxicity of AC and MD, but protected against BQ toxicity. We further demonstrated that NQO1 mediated reduction to unstable hydroquinones and subsequent redox cycling was important for the activation of the ER stress response and toxicity for both AC and MD. In summary, our data demonstrate that quinone-specific changes in protein handling are evident in N27 cells and the induction of the ER stress response is associated with quinone-mediated toxicity. - Highlights: • Unstable hydroquinones contributed to quinone-induced ER stress and toxicity.

  9. Membrane protein damage and repair: selective loss of a quinone-protein function in chloroplast membranes

    International Nuclear Information System (INIS)

    Kyle, D.J.; Ohad, I.; Arntzen, C.J.

    1984-01-01

    A loss of electron transport capacity in chloroplast membranes was induced by high-light intensities (photoinhibition). The primary site of inhibition was at the reducing side of photosystem II (PSII) with little damage to the oxidizing side or to the reaction center core of PSII. Addition of herbicides (atrazine or diuron) partially protected the membrane from photoinhibition; these compounds displace the bound plastoquinone (designated as Q/sub B/), which functions as the secondary electron acceptor on the reducing side of PSII. Loss of function of the 32-kilodalton Q/sub B/ apoprotein was demonstrated by a loss of binding sites for [ 14 C]atraazine. We suggest that quinone anions, which may interact with molecular oxygen to produce an oxygen radical, selectively damage the apoprotein of the secondary acceptor of PSII, thus rendering it inactive and thereby blocking photosynthetic electron flow under conditions of high photon flux densities. 21 references, 4 figures, 2 tables

  10. A copper-induced quinone degradation pathway provides protection against combined copper/quinone stress in Lactococcus lactis IL1403.

    Science.gov (United States)

    Mancini, Stefano; Abicht, Helge K; Gonskikh, Yulia; Solioz, Marc

    2015-02-01

    Quinones are ubiquitous in the environment. They occur naturally but are also in widespread use in human and industrial activities. Quinones alone are relatively benign to bacteria, but in combination with copper, they become toxic by a mechanism that leads to intracellular thiol depletion. Here, it was shown that the yahCD-yaiAB operon of Lactococcus lactis IL1403 provides resistance to combined copper/quinone stress. The operon is under the control of CopR, which also regulates expression of the copRZA copper resistance operon as well as other L. lactis genes. Expression of the yahCD-yaiAB operon is induced by copper but not by quinones. Two of the proteins encoded by the operon appear to play key roles in alleviating quinone/copper stress: YaiB is a flavoprotein that converts p-benzoquinones to less toxic hydroquinones, using reduced nicotinamide adenine dinucleotide phosphate (NADPH) as reductant; YaiA is a hydroquinone dioxygenase that converts hydroquinone putatively to 4-hydroxymuconic semialdehyde in an oxygen-consuming reaction. Hydroquinone and methylhydroquinone are both substrates of YaiA. Deletion of yaiB causes increased sensitivity of L. lactis to quinones and complete growth arrest under combined quinone and copper stress. Copper induction of the yahCD-yaiAB operon offers protection to copper/quinone toxicity and could provide a growth advantage to L. lactis in some environments. © 2014 John Wiley & Sons Ltd.

  11. Regulation of expression of Na+ -translocating NADH:quinone oxidoreductase genes in Vibrio harveyi and Klebsiella pneumoniae.

    Science.gov (United States)

    Fadeeva, Maria S; Yakovtseva, Evgenia A; Belevich, Galina A; Bertsova, Yulia V; Bogachev, Alexander V

    2007-10-01

    The expression of genes encoding sodium-translocating NADH:quinone oxidoreductase (Na(+)-NQR) was studied in the marine bacterium Vibrio harveyi and in the enterobacterium Klebsiella pneumoniae. It has been shown that such parameters as NaCl concentration, pH value, and presence of an uncoupler in the growth media do not influence significantly the level of nqr expression. However, nqr expression depends on the growth substrates used by these bacteria. Na(+)-NQR is highly repressed in V. harveyi during anaerobic growth, and nqr expression is modulated by electron acceptors and values of their redox potentials. The latter effect was shown to be independent of the ArcAB regulatory system.

  12. EPR studies of the vitamin K 1 semiquinone radical anion. Comparison to the electron acceptor A 1 in green plant photosystem I

    Science.gov (United States)

    Thurnauer, Marion C.; Brown, James W.; Gast, P.; Feezel, Laura L.

    Suggestions that the electron acceptor, A 1, in Photosystem I is a quinone have come from both optical and epr experiments. Vitamin K 1 (phylloquinone) is present in the PSI complex with a stoichiometry of two molecules per reaction center. In order to determine if A 1 can be identified with vitamin K 1, X-band and Q-band epr properties of the vitamin K 1 radical anion in frozen alcohol solutions are examined. The results are compared to the epr properties that have been observed for the reduced A 1 acceptor in vivo. The g-values obtained for the vitamin K 1 radical anion are consistent with identifying A 1 with vitamin K 1.

  13. Quinones in aerobic and anaerobic mitochondria

    NARCIS (Netherlands)

    van der Klei, S.A.

    2009-01-01

    Ubiquinone (UQ), also known as coenzyme Q, is a ubiquitous quinone and is known to have several functions. One of these functions is electron carrier in the mitochondrial electron transport chain of aerobically functioning bacteria and eukaryotes. In contrast to this aerobically functioning quinone,

  14. Waste-management QA training and motivation

    International Nuclear Information System (INIS)

    Henderson, J.T.

    1982-01-01

    Early in the development of a QA Program for the Waste Management and Geotechnical Projects Directorate, thought was given to establishing a QA Training Program commensurate with the needs and appropriate to the motivation of a staff of more than 130 scientists and project leaders. These individuals, i.e., researchers rather than hardware designers, had no prior experience with QA programs, and from their perception generally did not believe that such controls had any merit. Therefore, historically proven approaches to QA training had to be quickly modified or totally discarded. For instance, due to the mobility and diversity of backgrounds of personnel at SNL, the QA training program had to accommodate many different levels of QA maturity at any given time. Furthermore, since the application of QA to R and D was continuing to profit from project-specific lessons learned, these improvements in the QA program had to be easily and quickly imparted in the general staff's evolving awareness of QA. A somewhat novel approach to QA training has been developed that draws heavily upon SNL's existing In-Hours Technical Education Courses (INTEC) studio capabilities. This training attempts to accommodate individual staff needs and to ensure the required QA skills and awareness for the diverse types of programs addressed

  15. Protein covalent modification by biologically active quinones

    Directory of Open Access Journals (Sweden)

    MIROSLAV J. GASIC

    2004-11-01

    Full Text Available The avarone/avarol quinone/hydroquinone couple shows considerable antitumor activity. In this work, covalent modification of b-lactoglobulin by avarone and its derivatives as well as by the synthetic steroidal quinone 2,5(10-estradiene-1,4,17-trione and its derivatives were studied. The techniques for studying chemical modification of b-lactoglobulin by quinones were: UV/Vis spectrophotometry, SDS PAGE and isoelectrofocusing. SDS PAGE results suggest that polymerization of the protein occurs. It could be seen that the protein of 18 kD gives the bands of 20 kD, 36 kD, 40 kD, 45 kD, 64 kD and 128 kD depending on modification agent. The shift of the pI of the protein (5.4 upon modification toward lower values (from pI 5.0 to 5.3 indicated that lysine amino groups are the principal site of the reaction of b-lactoglobulin with the quinones.

  16. Applying QA to nuclear-development programs

    International Nuclear Information System (INIS)

    Caplinger, W.H.

    1981-12-01

    The application of quality assurance (QA) principles to developmental programs is usually accomplished by tailoring or selecting appropriate requirements from large QA systems. Developmental work at Westinghouse Hanford Company (WHC) covers the complete range from basic research to in-core reactor tests. Desired requirements are selected from the 18 criteria in ANSI/ASME NQA Standard 1 by the cognizant program engineer in conjunction with the quality engineer. These referenced criteria assure that QA for the program is planned, implemented, and maintained. In addition, the WHC QA Manual provides four categories or levels of QA that are assigned to programs or components within the program. These categories are based on safety, reliability, and consequences of failure to provide a cost effective program

  17. Supercritical Fluid Extraction of Quinones from Compost for Microbial Community Analysis

    Directory of Open Access Journals (Sweden)

    Ni Luh Gede Ratna Juliasih

    2015-01-01

    Full Text Available Supercritical fluid extraction (SFE was used to extract quinones from compost to monitor the microbial community dynamics during composting. The 0.3 g of dried compost was extracted using 3 mL min−1 of carbon dioxide (90% and methanol (10% at 45°C and 25 MPa for a 30 min extraction time. The extracted quinones were analysed using ultra performance liquid chromatography (UPLC with 0.3 mL min−1 of methanol mobile phase for a 50 min chromatographic run time. A comparable detected amount of quinones was obtained using the developed method and an organic solvent extraction method, being 36.06 μmol kg−1 and 34.54 μmol kg−1, respectively. Significantly low value of dissimilarity index (D between the two methods (0.05 indicated that the quinone profile obtained by both methods was considered identical. The developed method was then applied to determine the maturity of the compost by monitoring the change of quinone during composting. The UQ-9 and MK-7 were predominant quinones in the initial stage of composting. The diversity of quinone became more complex during the cooling and maturation stages. This study showed that SFE had successfully extracted quinones from a complex matrix with simplification and rapidity of the analysis that is beneficial for routine analysis.

  18. Profiling quinones in ambient air samples collected from the Athabasca region (Canada).

    Science.gov (United States)

    Wnorowski, Andrzej; Charland, Jean-Pierre

    2017-12-01

    This paper presents new findings on polycyclic aromatic hydrocarbon oxidation products-quinones that were collected in ambient air samples in the proximity of oil sands exploration. Quinones were characterized for their diurnal concentration variability, phase partitioning, and molecular size distribution. Gas-phase (GP) and particle-phase (PM) ambient air samples were collected separately in the summer; a lower quinone content was observed in the PM samples from continuous 24-h sampling than from combined 12-h sampling (day and night). The daytime/nocturnal samples demonstrated that nighttime conditions led to lower concentrations and some quinones not being detected. The highest quinone levels were associated with wind directions originating from oil sands exploration sites. The statistical correlation with primary pollutants directly emitted from oil sands industrial activities indicated that the bulk of the detected quinones did not originate directly from primary emission sources and that quinone formation paralleled a reduction in primary source NO x levels. This suggests a secondary chemical transformation of primary pollutants as the origin of the determined quinones. Measurements of 19 quinones included five that have not previously been reported in ambient air or in Standard Reference Material 1649a/1649b and seven that have not been previously measured in ambient air in the underivatized form. This is the first paper to report on quinone characterization in secondary organic aerosols originating from oil sands activities, to distinguish chrysenequinone and anthraquinone positional isomers in ambient air, and to report the requirement of daylight conditions for benzo[a]pyrenequinone and naphthacenequinone to be present in ambient air. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  19. Reduction of quinones and phenoxy radicals by extracellular glucose dehydrogenase from Glomerella cingulata suggests a role in plant pathogenicity.

    Science.gov (United States)

    Sygmund, Christoph; Klausberger, Miriam; Felice, Alfons K; Ludwig, Roland

    2011-11-01

    The plant-pathogenic fungus Glomerella cingulata (anamorph Colletotrichum gloeosporoides) secretes high levels of an FAD-dependent glucose dehydrogenase (GDH) when grown on tomato juice-supplemented media. To elucidate its molecular and catalytic properties, GDH was produced in submerged culture. The highest volumetric activity was obtained in shaking flasks after 6 days of cultivation (3400 U l⁻¹, 4.2 % of total extracellular protein). GDH is a monomeric protein with an isoelectric point of 5.6. The molecular masses of the glycoforms ranged from 95 to 135 kDa, but after deglycosylation, a single 68 kDa band was obtained. The absorption spectrum is typical for an FAD-containing enzyme with maxima at 370 and 458 nm and the cofactor is non-covalently bound. The preferred substrates are glucose and xylose. Suitable electron acceptors are quinones, phenoxy radicals, 2,6-dichloroindophenol, ferricyanide and ferrocenium hexafluorophosphate. In contrast, oxygen turnover is very low. The GDH-encoding gene was cloned and phylogenetic analysis of the translated protein reveals its affiliation to the GMC family of oxidoreductases. The proposed function of this quinone and phenoxy radical reducing enzyme is to neutralize the action of plant laccase, phenoloxidase or peroxidase activities, which are increased in infected plants to evade fungal attack.

  20. Removal of bisphenol derivatives through quinone oxidation by polyphenol oxidase and subsequent quinone adsorption on chitosan in the heterogeneous system.

    Science.gov (United States)

    Kimura, Yuji; Takahashi, Ayumi; Kashiwada, Ayumi; Yamada, Kazunori

    2015-01-01

    In this study, the combined use of a biopolymer chitosan and an oxidoreductase polyphenol oxidase (PPO) was systematically investigated for the removal of bisphenol derivatives from aqueous medium. The process parameters, such as the pH value, temperature, and PPO concentration, were estimated to conduct the enzymatic quinone oxidation of bisphenol derivatives by as little enzyme as possible. Bisphenol derivatives effectively underwent PPO-catalysed quinone oxidation without H2O2 unlike other oxidoreductases, such as peroxidase and tyrosinase, and the optimum conditions were determined to be pH 7.0 and 40°C for bisphenol B, bisphenol E, bisphenol O, and bisphenol Z; pH 7.0 and 30°C for bisphenol C and bisphenol F; and pH 8.0 and 40°C for bisphenol T. They were completely removed through adsorption of enzymatically generated quinone derivatives on chitosan beads or chitosan powders. Quinone adsorption on chitosan beads or chitosan powders in the heterogeneous system was found to be a more effective procedure than generation of aggregates in the homogeneous system with chitosan solution. The removal time was shortened by increasing the amount of chitosan beads or decreasing the size of the chitosan powders.

  1. A comparative study and analysis of QA requirements for the establishment of a nuclear R and D QA system

    International Nuclear Information System (INIS)

    Kim, Kwan Hyun

    2000-06-01

    This technical report provides recommendations on how to fulfill the requirements of the code in relation to QA activities for nuclear R and D field. This guide applies to the quality assurance (QA) programmes of the responsible organization, i.e. the organization having overall responsibility for the nuclear power plant, as well as to any other separate QA programmes in each stage of a nuclear R and D project. This guide covers QA work on items, services and processes impacting nuclear safety during siting, design, construction, commissioning, operation and decommissioning of nuclear power plants. The impact on safety may occur during the performance of the QA work, or owing to the application of the results of the QA. This guide may, with appropriate modification, also be usefully applied at nuclear installations other than nuclear R and D field

  2. Bioinspired organocatalytic aerobic C-H oxidation of amines with an ortho-quinone catalyst.

    Science.gov (United States)

    Qin, Yan; Zhang, Long; Lv, Jian; Luo, Sanzhong; Cheng, Jin-Pei

    2015-03-20

    A simple bioinspired ortho-quinone catalyst for the aerobic oxidative dehydrogenation of amines to imines is reported. Without any metal cocatalysts, the identified optimal ortho-quinone catalyst enables the oxidations of α-branched primary amines and cyclic secondary amines. Mechanistic studies have disclosed the origins of different performances of ortho-quinone vs para-quinone in biomimetic amine oxidations.

  3. Computational design of molecules for an all-quinone redox flow battery.

    Science.gov (United States)

    Er, Süleyman; Suh, Changwon; Marshak, Michael P; Aspuru-Guzik, Alán

    2015-02-01

    Inspired by the electron transfer properties of quinones in biological systems, we recently showed that quinones are also very promising electroactive materials for stationary energy storage applications. Due to the practically infinite chemical space of organic molecules, the discovery of additional quinones or other redox-active organic molecules for energy storage applications is an open field of inquiry. Here, we introduce a high-throughput computational screening approach that we applied to an accelerated study of a total of 1710 quinone (Q) and hydroquinone (QH 2 ) ( i.e. , two-electron two-proton) redox couples. We identified the promising candidates for both the negative and positive sides of organic-based aqueous flow batteries, thus enabling an all-quinone battery. To further aid the development of additional interesting electroactive small molecules we also provide emerging quantitative structure-property relationships.

  4. Electrochemical Reduction of Quinones in Different Media: A Review

    Directory of Open Access Journals (Sweden)

    Partha Sarathi Guin

    2011-01-01

    Full Text Available The electron transfer reactions involving quinones, hydroquinones, and catechols are very important in many areas of chemistry, especially in biological systems. The therapeutic efficiency as well as toxicity of anthracycline anticancer drugs, a class of anthraquinones, is governed by their electrochemical properties. Other quinones serve as important functional moiety in various biological systems like electron-proton carriers in the respiratory chain and their involvement in photosynthetic electron flow systems. The present paper summarizes literatures on the reduction of quinones in different solvents under various conditions using different electrochemical methods. The influence of different reaction conditions including pH of the media, nature of supporting electrolytes, nature of other additives, intramolecular or intermolecular hydrogen bonding, ion pair formation, polarity of the solvents, stabilization of the semiquinone and quinone dianion, catalytic property, and adsorption at the electrode surface, are discussed and relationships between reaction conditions and products formed have been presented.

  5. pH-Dependent Regulation of the Relaxation Rate of the Radical Anion of the Secondary Quinone Electron Acceptor QB in Photosystem II As Revealed by Fourier Transform Infrared Spectroscopy.

    Science.gov (United States)

    Nozawa, Yosuke; Noguchi, Takumi

    2018-05-15

    Photosystem II (PSII) is a protein complex that performs water oxidation using light energy during photosynthesis. In PSII, electrons abstracted from water are eventually transferred to the secondary quinone electron acceptor, Q B , and upon double reduction, Q B is converted to quinol by binding two protons. Thus, excess electron transfer in PSII increases the pH of the stroma. In this study, to investigate the pH-dependent regulation of the electron flow in PSII, we have estimated the relaxation rate of the Q B - radical anion in the pH region between 5 and 8 by direct monitoring of its population using light-induced Fourier transform infrared difference spectroscopy. The decay of Q B - by charge recombination with the S 2 state of the water oxidation center in PSII membranes was shown to be accelerated at higher pH, whereas that of Q A - examined in the presence of a herbicide was virtually unaffected at pH ≤7.5 and slightly slowed at pH 8. These observations were consistent with the previous studies that included rather indirect monitoring of the Q B - and Q A - decays using fluorescence detection. The accelerated relaxation of Q B - was explained by the shift of a redox equilibrium between Q A - and Q B - to the Q A - side due to the decrease in the redox potential of Q B at higher pH, which is induced by deprotonation of a single amino acid residue near Q B . It is proposed that this pH-dependent Q B - relaxation is one of the mechanisms of electron flow regulation in PSII for its photoprotection.

  6. Transient Kinetic Analysis of Hydrogen Sulfide Oxidation Catalyzed by Human Sulfide Quinone Oxidoreductase*

    Science.gov (United States)

    Mishanina, Tatiana V.; Yadav, Pramod K.; Ballou, David P.; Banerjee, Ruma

    2015-01-01

    The first step in the mitochondrial sulfide oxidation pathway is catalyzed by sulfide quinone oxidoreductase (SQR), which belongs to the family of flavoprotein disulfide oxidoreductases. During the catalytic cycle, the flavin cofactor is intermittently reduced by sulfide and oxidized by ubiquinone, linking H2S oxidation to the electron transfer chain and to energy metabolism. Human SQR can use multiple thiophilic acceptors, including sulfide, sulfite, and glutathione, to form as products, hydrodisulfide, thiosulfate, and glutathione persulfide, respectively. In this study, we have used transient kinetics to examine the mechanism of the flavin reductive half-reaction and have determined the redox potential of the bound flavin to be −123 ± 7 mV. We observe formation of an unusually intense charge-transfer (CT) complex when the enzyme is exposed to sulfide and unexpectedly, when it is exposed to sulfite. In the canonical reaction, sulfide serves as the sulfur donor and sulfite serves as the acceptor, forming thiosulfate. We show that thiosulfate is also formed when sulfide is added to the sulfite-induced CT intermediate, representing a new mechanism for thiosulfate formation. The CT complex is formed at a kinetically competent rate by reaction with sulfide but not with sulfite. Our study indicates that sulfide addition to the active site disulfide is preferred under normal turnover conditions. However, under pathological conditions when sulfite concentrations are high, sulfite could compete with sulfide for addition to the active site disulfide, leading to attenuation of SQR activity and to an alternate route for thiosulfate formation. PMID:26318450

  7. Transient Kinetic Analysis of Hydrogen Sulfide Oxidation Catalyzed by Human Sulfide Quinone Oxidoreductase.

    Science.gov (United States)

    Mishanina, Tatiana V; Yadav, Pramod K; Ballou, David P; Banerjee, Ruma

    2015-10-09

    The first step in the mitochondrial sulfide oxidation pathway is catalyzed by sulfide quinone oxidoreductase (SQR), which belongs to the family of flavoprotein disulfide oxidoreductases. During the catalytic cycle, the flavin cofactor is intermittently reduced by sulfide and oxidized by ubiquinone, linking H2S oxidation to the electron transfer chain and to energy metabolism. Human SQR can use multiple thiophilic acceptors, including sulfide, sulfite, and glutathione, to form as products, hydrodisulfide, thiosulfate, and glutathione persulfide, respectively. In this study, we have used transient kinetics to examine the mechanism of the flavin reductive half-reaction and have determined the redox potential of the bound flavin to be -123 ± 7 mV. We observe formation of an unusually intense charge-transfer (CT) complex when the enzyme is exposed to sulfide and unexpectedly, when it is exposed to sulfite. In the canonical reaction, sulfide serves as the sulfur donor and sulfite serves as the acceptor, forming thiosulfate. We show that thiosulfate is also formed when sulfide is added to the sulfite-induced CT intermediate, representing a new mechanism for thiosulfate formation. The CT complex is formed at a kinetically competent rate by reaction with sulfide but not with sulfite. Our study indicates that sulfide addition to the active site disulfide is preferred under normal turnover conditions. However, under pathological conditions when sulfite concentrations are high, sulfite could compete with sulfide for addition to the active site disulfide, leading to attenuation of SQR activity and to an alternate route for thiosulfate formation. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  8. On-column reduction of catecholamine quinones in stainless steel columns during liquid chromatography.

    Science.gov (United States)

    Xu, R; Huang, X; Kramer, K J; Hawley, M D

    1995-10-10

    The chromatographic behavior of quinones derived from the oxidation of dopamine and N-acetyldopamine has been studied using liquid chromatography (LC) with both a diode array detector and an electrochemical detector that has parallel dual working electrodes. When stainless steel columns are used, an anodic peak for the oxidation of the catecholamine is observed at the same retention time as a cathodic peak for the reduction of the catecholamine quinone. In addition, the anodic peak exhibits a tail that extends to a second anodic peak for the catecholamine. The latter peak occurs at the normal retention time of the catecholamine. The origin of this phenomenon has been studied and metallic iron in the stainless steel components of the LC system has been found to reduce the quinones to their corresponding catecholamines. The simultaneous appearance of a cathodic peak for the reduction of catecholamine quinone and an anodic peak for the oxidation of the corresponding catecholamine occurs when metallic iron in the exit frit reduces some of the quinones as the latter exits the column. This phenomenon is designated as the "concurrent anodic-cathodic response." It is also observed for quinones of of 3,4-dihydroxybenzoic acid and probably occurs with o- or p-quinones of other dihydroxyphenyl compounds. The use of nonferrous components in LC systems is recommended to eliminate possible on-column reduction of quinones.

  9. Electron Transfer between Electrically Conductive Minerals and Quinones

    Directory of Open Access Journals (Sweden)

    Olga Taran

    2017-07-01

    Full Text Available Long-distance electron transfer in marine environments couples physically separated redox half-reactions, impacting biogeochemical cycles of iron, sulfur and carbon. Bacterial bio-electrochemical systems that facilitate electron transfer via conductive filaments or across man-made electrodes are well-known, but the impact of abiotic currents across naturally occurring conductive and semiconductive minerals is poorly understood. In this paper I use cyclic voltammetry to explore electron transfer between electrodes made of common iron minerals (magnetite, hematite, pyrite, pyrrhotite, mackinawite, and greigite, and hydroquinones—a class of organic molecules found in carbon-rich sediments. Of all tested minerals, only pyrite and magnetite showed an increase in electric current in the presence of organic molecules, with pyrite showing excellent electrocatalytic performance. Pyrite electrodes performed better than commercially available glassy carbon electrodes and showed higher peak currents, lower overpotential values and a smaller separation between oxidation and reduction peaks for each tested quinone. Hydroquinone oxidation on pyrite surfaces was reversible, diffusion controlled, and stable over a large number of potential cycles. Given the ubiquity of both pyrite and quinones, abiotic electron transfer between minerals and organic molecules is likely widespread in Nature and may contribute to several different phenomena, including anaerobic respiration of a wide variety of microorganisms in temporally anoxic zones or in the proximity of hydrothermal vent chimneys, as well as quinone cycling and the propagation of anoxic zones in organic rich waters. Finally, interactions between pyrite and quinones make use of electrochemical gradients that have been suggested as an important source of energy for the origins of life on Earth. Ubiquinones and iron sulfide clusters are common redox cofactors found in electron transport chains across all domains

  10. Electron Transfer Between Electrically Conductive Minerals and Quinones

    Science.gov (United States)

    Taran, Olga

    2017-07-01

    Long-distance electron transfer in marine environments couples physically separated redox half-reactions, impacting biogeochemical cycles of iron, sulfur and carbon. Bacterial bio-electrochemical systems that facilitate electron transfer via conductive filaments or across man-made electrodes are well known, but the impact of abiotic currents across naturally occurring conductive and semiconducitve minerals is poorly understood. In this paper I use cyclic voltammetry to explore electron transfer between electrodes made of common iron minerals (magnetite, hematite, pyrite, pyrrhotite, mackinawite and greigite), and hydroquinones - a class of organic molecules found in carbon-rich sediments. Of all tested minerals, only pyrite and magnetite showed an increase in electric current in the presence of organic molecules, with pyrite showing excellent electrocatalytic performance. Pyrite electrodes performed better than commercially available glassy carbon electrodes and showed higher peak currents, lower overpotential values and a smaller separation between oxidation and reduction peaks for each tested quinone. Hydroquinone oxidation on pyrite surfaces was reversible, diffusion controlled, and stable over a large number of potential cycles. Given the ubiquity of both pyrite and quinones, abiotic electron transfer between minerals and organic molecules is likely widespread in Nature and may contribute to several different phenomena, including anaerobic respiration of a wide variety of microorganisms in temporally anoxic zones or in the proximity of hydrothermal vent chimneys, as well as quinone cycling and the propagation of anoxic zones in organic rich waters. Finally, interactions between pyrite and quinones make use of electrochemical gradients that have been suggested as an important source of energy for the origins of life on Earth. Ubiquinones and iron sulfide clusters are common redox cofactors found in electron transport chains across all domains of life and

  11. Identification of quinone imine containing glutathione conjugates of diclofenac in rat bile.

    Science.gov (United States)

    Waldon, Daniel J; Teffera, Yohannes; Colletti, Adria E; Liu, Jingzhou; Zurcher, Danielle; Copeland, Katrina W; Zhao, Zhiyang

    2010-12-20

    High-resolution accurate MS with an LTQ-Orbitrap was used to identify quinone imine metabolites derived from the 5-hydroxy (5-OH) and 4 prime-hydroxy (4'-OH) glutathione conjugates of diclofenac in rat bile. The initial quinone imine metabolites formed by oxidation of diclofenac have been postulated to be reactive intermediates potentially involved in diclofenac-mediated hepatotoxicity; while these metabolites could be formed using in vitro systems, they have never been detected in vivo. This report describes the identification of secondary quinone imine metabolites derived from 5-OH and 4'-OH diclofenac glutathione conjugates in rat bile. To verify the proposed structures, the diclofenac quinone imine GSH conjugate standards were prepared synthetically and enzymatically. The novel metabolite peaks displayed the identical retention times, accurate mass MS/MS spectra, and the fragmentation patterns as the corresponding authentic standards. The formation of these secondary quinone metabolites occurs only under conditions where bile salt homeostasis was experimentally altered. Standard practice in biliary excretion experiments using bile duct-cannulated rats includes infusion of taurocholic acid and/or other bile acids to replace those lost due to continuous collection of bile; for this experiment, the rats received no replacement bile acid infusion. High-resolution accurate mass spectrometry data and comparison with chemically and enzymatically prepared quinone imines of diclofenac glutathione conjugates support the identification of these metabolites. A mechanism for the formation of these reactive quinone imine containing glutathione conjugates of diclofenac is proposed.

  12. Respiratory quinones in Archaea: phylogenetic distribution and application as biomarkers in the marine environment.

    Science.gov (United States)

    Elling, Felix J; Becker, Kevin W; Könneke, Martin; Schröder, Jan M; Kellermann, Matthias Y; Thomm, Michael; Hinrichs, Kai-Uwe

    2016-02-01

    The distribution of respiratory quinone electron carriers among cultivated organisms provides clues on both the taxonomy of their producers and the redox processes these are mediating. Our study of the quinone inventories of 25 archaeal species belonging to the phyla Eury-, Cren- and Thaumarchaeota facilitates their use as chemotaxonomic markers for ecologically important archaeal clades. Saturated and monounsaturated menaquinones with six isoprenoid units forming the alkyl chain may serve as chemotaxonomic markers for Thaumarchaeota. Other diagnostic biomarkers are thiophene-bearing quinones for Sulfolobales and methanophenazines as functional quinone analogues of the Methanosarcinales. The ubiquity of saturated menaquinones in the Archaea in comparison to Bacteria suggests that these compounds may represent an ancestral and diagnostic feature of the Archaea. Overlap between quinone compositions of distinct thermophilic and halophilic archaea and bacteria may indicate lateral gene transfer. The biomarker potential of thaumarchaeal quinones was exemplarily demonstrated on a water column profile of the Black Sea. Both, thaumarchaeal quinones and membrane lipids showed similar distributions with maxima at the chemocline. Quinone distributions indicate that Thaumarchaeota dominate respiratory activity at a narrow interval in the chemocline, while they contribute only 9% to the microbial biomass at this depth, as determined by membrane lipid analysis. © 2015 Society for Applied Microbiology and John Wiley & Sons Ltd.

  13. Minimum requirements on a QA program in radiation oncology

    International Nuclear Information System (INIS)

    Almond, P.R.

    1996-01-01

    In April, 1994, the American Association of Physicists in Medicine published a ''Comprehensive QA for radiation oncology:'' a report of the AAPM Radiation Therapy Committee. This is a comprehensive QA program which is likely to become the standard for such programs in the United States. The program stresses the interdisciplinary nature of QA in radiation oncology involving the radiation oncologists, the radiotherapy technologies (radiographers), dosimetrists, and accelerator engineers, as well as the medical physicists. This paper describes a comprehensive quality assurance program with the main emphasis on the quality assurance in radiation therapy using a linear accelerator. The paper deals with QA for a linear accelerator and simulator and QA for treatment planning computers. Next the treatment planning process and QA for individual patients is described. The main features of this report, which should apply to QA programs in any country, emphasizes the responsibilities of the medical physicist. (author). 7 refs, 9 tabs

  14. Minimum requirements on a QA program in radiation oncology

    Energy Technology Data Exchange (ETDEWEB)

    Almond, P R [Louisville Univ., Louisville, KY (United States). J.G. Brown Cancer Center

    1996-08-01

    In April, 1994, the American Association of Physicists in Medicine published a ``Comprehensive QA for radiation oncology:`` a report of the AAPM Radiation Therapy Committee. This is a comprehensive QA program which is likely to become the standard for such programs in the United States. The program stresses the interdisciplinary nature of QA in radiation oncology involving the radiation oncologists, the radiotherapy technologies (radiographers), dosimetrists, and accelerator engineers, as well as the medical physicists. This paper describes a comprehensive quality assurance program with the main emphasis on the quality assurance in radiation therapy using a linear accelerator. The paper deals with QA for a linear accelerator and simulator and QA for treatment planning computers. Next the treatment planning process and QA for individual patients is described. The main features of this report, which should apply to QA programs in any country, emphasizes the responsibilities of the medical physicist. (author). 7 refs, 9 tabs.

  15. Statistical process control analysis for patient-specific IMRT and VMAT QA.

    Science.gov (United States)

    Sanghangthum, Taweap; Suriyapee, Sivalee; Srisatit, Somyot; Pawlicki, Todd

    2013-05-01

    This work applied statistical process control to establish the control limits of the % gamma pass of patient-specific intensity modulated radiotherapy (IMRT) and volumetric modulated arc therapy (VMAT) quality assurance (QA), and to evaluate the efficiency of the QA process by using the process capability index (Cpml). A total of 278 IMRT QA plans in nasopharyngeal carcinoma were measured with MapCHECK, while 159 VMAT QA plans were undertaken with ArcCHECK. Six megavolts with nine fields were used for the IMRT plan and 2.5 arcs were used to generate the VMAT plans. The gamma (3%/3 mm) criteria were used to evaluate the QA plans. The % gamma passes were plotted on a control chart. The first 50 data points were employed to calculate the control limits. The Cpml was calculated to evaluate the capability of the IMRT/VMAT QA process. The results showed higher systematic errors in IMRT QA than VMAT QA due to the more complicated setup used in IMRT QA. The variation of random errors was also larger in IMRT QA than VMAT QA because the VMAT plan has more continuity of dose distribution. The average % gamma pass was 93.7% ± 3.7% for IMRT and 96.7% ± 2.2% for VMAT. The Cpml value of IMRT QA was 1.60 and VMAT QA was 1.99, which implied that the VMAT QA process was more accurate than the IMRT QA process. Our lower control limit for % gamma pass of IMRT is 85.0%, while the limit for VMAT is 90%. Both the IMRT and VMAT QA processes are good quality because Cpml values are higher than 1.0.

  16. QA manpower requirement for nuclear power plants

    International Nuclear Information System (INIS)

    Link, M.

    1980-01-01

    To ensure the quality of the plant, QA activities are to be performed by the owner, the main contractor, the subcontractors and the Licensing Authority. The responsibilities of the QA-personnel of these organizations comprise as a minimum the control of the quality assurance systems and the proof of the quality requirements. Numbers of the required QA-personnel, designated for different tasks and recommended educational levels and professional qualifications will be given. (orig./RW)

  17. Production of quinones by in vitro cultures of Dionaea and Streptocarpus species

    OpenAIRE

    Nestor, Cora

    2006-01-01

    Quinones are a class of oxygen-containing secondary metabolites found chiefly in higher plants, fungi, bacteria and restricted in the animal kingdom to arthropods and echinoderms (Thompson 1971). In the plant, quinones, especially naphthoquinones, have been shown to function in allelopathy (juglone; Binder et al 1989), plant-insect interactions and plant-plant interactions (plumbagin; Kubo et al 1986, 1998, Spencer et al 1986, Ganapaty et al 2004). These quinones also have significant in vitr...

  18. Quinones from Heliotropium ovalifolium.

    Science.gov (United States)

    Guntern, A; Ioset, J R; Queiroz, E F; Foggin, C M; Hostettmann, K

    2001-10-01

    Two new benzoquinones, heliotropinones A and B, have been isolated from the aerial parts of Heliotropium ovalifolium. Their structures were elucidated by spectrometric methods including high resolution electrospray ionization (ESI-HR), EI mass spectrometry, 1H, 13C and 2D NMR experiments. The two quinones demonstrated antifungal activities against Cladosporium cucumerinum and Candida albicans as well as antibacterial activity against Bacillus subtilis.

  19. Catalytic asymmetric diels-alder reaction of quinone imine ketals: a site-divergent approach.

    Science.gov (United States)

    Hashimoto, Takuya; Nakatsu, Hiroki; Maruoka, Keiji

    2015-04-07

    The catalytic asymmetric Diels-Alder reaction of quinone imine ketals with diene carbamates catalyzed by axially chiral dicarboxylic acids is reported herein. A variety of primary and secondary alkyl-substituted quinone derivatives which have not been applied in previous asymmetric quinone Diels-Alder reactions could be employed using this method. More importantly, we succeeded in developing a strategy to divert the reaction site in unsymmetrical 3-alkyl quinone imine ketals from the inherently favored unsubstituted C=C bond to the disfavored alkyl-substituted C=C bond. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Chemical modification of b-lactoglobulin by quinones

    Directory of Open Access Journals (Sweden)

    DUSAN SLADIC

    2003-05-01

    Full Text Available The avarone/avarol quinone/hydroquinone couple, as well as their derivatives show considerable antitumor activity. In this work, covalent modifications of b-lactoglobulin, isolated from cow milk, by avarone, its model compound 2-tert-butyl-1,4-benzoquinone, and several of their alkylthio derivatives were studied. The techniques applied for assaying the modifications were: UV/VIS spectrophotometry, SDS PAGE and isoelectrofocusing. The results of the SDS PAGE suggest that polymerisation of the protein occurs. The shift of the pI of the protein upon modification toward lower values indicates that lysine amino groups are the principal site of the reaction of b-lactoglobulin with the quinones.

  1. The regioselectivity of glutathione adduct formation with flavonoid quinone methides is pH-dependent

    NARCIS (Netherlands)

    Awad, H.M.; Boersma, M.G.; Boeren, S.; Vervoort, J.; Bladeren, van P.J.; Rietjens, I.M.C.M.

    2002-01-01

    In the present study, the formation of glutathionyl adducts from a series of 3',4'-dihydroxy flavonoid o-quinone/p-quinone methides was investigated with special emphasis on the regioselectivity of the glutathione addition as a function of pH. The flavonoid o-quinones were generated using

  2. High-capacity aqueous zinc batteries using sustainable quinone electrodes

    Science.gov (United States)

    Zhao, Qing; Huang, Weiwei; Luo, Zhiqiang; Liu, Luojia; Lu, Yong; Li, Yixin; Li, Lin; Hu, Jinyan; Ma, Hua; Chen, Jun

    2018-01-01

    Quinones, which are ubiquitous in nature, can act as sustainable and green electrode materials but face dissolution in organic electrolytes, resulting in fast fading of capacity and short cycle life. We report that quinone electrodes, especially calix[4]quinone (C4Q) in rechargeable metal zinc batteries coupled with a cation-selective membrane using an aqueous electrolyte, exhibit a high capacity of 335 mA h g−1 with an energy efficiency of 93% at 20 mA g−1 and a long life of 1000 cycles with a capacity retention of 87% at 500 mA g−1. The pouch zinc batteries with a respective depth of discharge of 89% (C4Q) and 49% (zinc anode) can deliver an energy density of 220 Wh kg−1 by mass of both a C4Q cathode and a theoretical Zn anode. We also develop an electrostatic potential computing method to demonstrate that carbonyl groups are active centers of electrochemistry. Moreover, the structural evolution and dissolution behavior of active materials during discharge and charge processes are investigated by operando spectral techniques such as IR, Raman, and ultraviolet-visible spectroscopies. Our results show that batteries using quinone cathodes and metal anodes in aqueous electrolyte are reliable approaches for mass energy storage. PMID:29511734

  3. Application of QA geoscience investigations

    International Nuclear Information System (INIS)

    Henderson, J.T.

    1980-01-01

    This paper discusses the evolution of a classical hardware QA program (as currently embodied in DOE/ALO Manual Chapter 08XA; NRC 10CFR Part 50, Appendix B; and other similar documents) into the present geoscience quality assurance programs that address eventual NRC licensing, if required. In the context of this paper, QA will be restricted to the tasks associated with nuclear repositories, i.e. site identification, selection, characterization, verification, and utilization

  4. Follow-up utterances in QA dialogue

    NARCIS (Netherlands)

    van Schooten, B.W.; op den Akker, Hendrikus J.A.

    2006-01-01

    The processing of user follow-up utterances by a QA system is a topic which is still in its infant stages, but enjoys growing interest in the QA community. In this paper, we discuss the broader issues related to handling follow-up utterances in a real-life "information kiosk" setting. With help of a

  5. Interaction of quinones with three pyrimidine bases: A laser flash photolysis study

    Energy Technology Data Exchange (ETDEWEB)

    Bose, Adity [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India); Basu, Samita, E-mail: samita.basu@saha.ac.i [Chemical Sciences Division, Saha Institute of Nuclear Physics, 1/AF Bidhannagar, Kolkata 700064 (India)

    2009-11-15

    The interaction between three different pyrimidine bases, uracil (U), cytosine (C) and thymine (T) and two quinones, 2-methyl-1,4-naphthoquinone or menadione (MQ) and 9,10-anthraquinone (AQ) have been studied using laser flash photolysis technique in organic homogeneous medium. The three pyrimidines have revealed a difference in their extent of reactivity towards the quinones, which has been attributed to their structural difference. Our works have revealed that the difference in structural dimension of the quinones is also responsible for affecting the reactivity of these pyrimidines in homogeneous medium.

  6. Interaction of quinones with three pyrimidine bases: A laser flash photolysis study

    International Nuclear Information System (INIS)

    Bose, Adity; Basu, Samita

    2009-01-01

    The interaction between three different pyrimidine bases, uracil (U), cytosine (C) and thymine (T) and two quinones, 2-methyl-1,4-naphthoquinone or menadione (MQ) and 9,10-anthraquinone (AQ) have been studied using laser flash photolysis technique in organic homogeneous medium. The three pyrimidines have revealed a difference in their extent of reactivity towards the quinones, which has been attributed to their structural difference. Our works have revealed that the difference in structural dimension of the quinones is also responsible for affecting the reactivity of these pyrimidines in homogeneous medium.

  7. QA at Fermilab

    Energy Technology Data Exchange (ETDEWEB)

    Bodnarczuk, M.

    1988-01-01

    This paper opens with a brief overview of the purpose of Fermilab and historical synopsis of the development and current status of quality assurance (QA) at the Laboratory. The paper subsequently addresses some of the more important aspects of interpreting the national standard ANSI/ASME NQA-1 in pure research environments like Fermilab. Highlights of this discussion include, (1) what is hermeneutics and why are hermeneutical considerations relevant for QA, (2) a critical analysis of NQA-1 focussing on teleological aspects of the standard, (3) a description of the hermeneutical approach to NQA-1 used at Fermilab which attempts to capture the true intents of the document without violating the deeply ingrained traditions of quality standards and peer review that have been foundational to the overall success of the paradigms of high-energy physics.

  8. Antitrypanosomal isoflavan quinones from Abrus precatorius

    CSIR Research Space (South Africa)

    Hata, Y

    2014-03-01

    Full Text Available Fitoterapia Vol. 93, pp 81-87 Antitrypanosomal isoflavan quinones from Abrus precatorius Yoshie Hata a,d, Samad Nejad Ebrahimi a,e, Maria De Mieri a, Stefanie Zimmermann a, Tsholofelo Mokoka c, Dashnie Naidoo c, Gerda Fouche c, Vinesh Maharaj c...

  9. SU-F-T-275: A Correlation Study On 3D Fluence-Based QA and 2D Dose Measurement-Based QA

    International Nuclear Information System (INIS)

    Liu, S; Mazur, T; Li, H; Green, O; Sun, B; Mutic, S; Yang, D

    2016-01-01

    Purpose: The aim of this paper was to demonstrate the feasibility and creditability of computing and verifying 3D fluencies to assure IMRT and VMAT treatment deliveries, by correlating the passing rates of the 3D fluence-based QA (P(ά)) to the passing rates of 2D dose measurementbased QA (P(Dm)). Methods: 3D volumetric primary fluencies are calculated by forward-projecting the beam apertures and modulated by beam MU values at all gantry angles. We first introduce simulated machine parameter errors (MU, MLC positions, jaw, gantry and collimator) to the plan. Using passing rates of voxel intensity differences (P(Ir)) and 3D gamma analysis (P(γ)), calculated 3D fluencies, calculated 3D delivered dose, and measured 2D planar dose in phantom from the original plan are then compared with those from corresponding plans with errors, respectively. The correlations of these three groups of resultant passing rates, i.e. 3D fluence-based QA (P(ά,Ir) and P(ά,γ)), calculated 3D dose (P(Dc,Ir) and P(Dc,γ)), and 2D dose measurement-based QA (P(Dm,Ir) and P(Dm,γ)), will be investigated. Results: 20 treatment plans with 5 different types of errors were tested. Spearman’s correlations were found between P(ά,Ir) and P(Dc,Ir), and also between P(ά,γ) and P(Dc,γ), with averaged p-value 0.037, 0.065, and averaged correlation coefficient ρ-value 0.942, 0.871 respectively. Using Matrixx QA for IMRT plans, Spearman’s correlations were also obtained between P(ά,Ir) and P(Dm,Ir) and also between P(ά,γ) and P(Dm,γ), with p-value being 0.048, 0.071 and ρ-value being 0.897, 0.779 respectively. Conclusion: The demonstrated correlations improve the creditability of using 3D fluence-based QA for assuring treatment deliveries for IMRT/VMAT plans. Together with advantages of high detection sensitivity and better visualization of machine parameter errors, this study further demonstrates the accuracy and feasibility of 3D fluence based-QA in pre-treatment QA and daily QA. Research

  10. Patient QA systems for rotational radiation therapy

    DEFF Research Database (Denmark)

    Fredh, Anna; Scherman, J.B.; Munck af Rosenschöld, Per Martin

    2013-01-01

    The purpose of the present study was to investigate the ability of commercial patient quality assurance (QA) systems to detect linear accelerator-related errors.......The purpose of the present study was to investigate the ability of commercial patient quality assurance (QA) systems to detect linear accelerator-related errors....

  11. Associative Memory Acceptors.

    Science.gov (United States)

    Card, Roger

    The properties of an associative memory are examined in this paper from the viewpoint of automata theory. A device called an associative memory acceptor is studied under real-time operation. The family "L" of languages accepted by real-time associative memory acceptors is shown to properly contain the family of languages accepted by one-tape,…

  12. Analysis of QA audit checklist for equipment suppliers

    International Nuclear Information System (INIS)

    Tian Xuehang

    2012-01-01

    Eleven aspects during the equipment manufacturing by the suppliers, including the guidelines and objectives of quality assurance, management department review, document and record control, staffing and training, design control, procurement control, control of items, process control, inspection and testing control, non-conformance control, and internal and external QA audit, are analyzed in this article. The detailed QA audit checklist on these above mentioned aspects are described and the problems found in real QA audit are listed in this article. (authors)

  13. Applications of QA to RandD support of HLW programs

    International Nuclear Information System (INIS)

    Ryder, D.E.

    1988-05-01

    The application of a formal QA program to any discipline or organization can be difficult to achieve and to do so with a research and development organization has special challenges that are somewhat unique. This paper describes how a QA program based upon a national consensus standard (developed for application to the design, construction and operation of nuclear facilities) has been successfully applied to some of the research and development activities in support of the High Level Waste Programs. This description includes a discussion on the importance of being creative when interpreting the QA standard, a brief overview of the QA program that was developed and the results achieved during implementation of the QA program. 4 refs., 4 figs

  14. Institutional Patient-specific IMRT QA Does Not Predict Unacceptable Plan Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Kry, Stephen F., E-mail: sfkry@mdanderson.org [Imaging and Radiation Oncology Core at Houston, Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Molineu, Andrea [Imaging and Radiation Oncology Core at Houston, Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Kerns, James R.; Faught, Austin M.; Huang, Jessie Y.; Pulliam, Kiley B.; Tonigan, Jackie [Imaging and Radiation Oncology Core at Houston, Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Health Science Center Houston, Graduate School of Biomedical Sciences, Houston, Texas (United States); Alvarez, Paola [Imaging and Radiation Oncology Core at Houston, Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Stingo, Francesco [The University of Texas Health Science Center Houston, Graduate School of Biomedical Sciences, Houston, Texas (United States); Department of Biostatistics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); Followill, David S. [Imaging and Radiation Oncology Core at Houston, Department of Radiation Physics, The University of Texas MD Anderson Cancer Center, Houston, Texas (United States); The University of Texas Health Science Center Houston, Graduate School of Biomedical Sciences, Houston, Texas (United States)

    2014-12-01

    Purpose: To determine whether in-house patient-specific intensity modulated radiation therapy quality assurance (IMRT QA) results predict Imaging and Radiation Oncology Core (IROC)-Houston phantom results. Methods and Materials: IROC Houston's IMRT head and neck phantoms have been irradiated by numerous institutions as part of clinical trial credentialing. We retrospectively compared these phantom results with those of in-house IMRT QA (following the institution's clinical process) for 855 irradiations performed between 2003 and 2013. The sensitivity and specificity of IMRT QA to detect unacceptable or acceptable plans were determined relative to the IROC Houston phantom results. Additional analyses evaluated specific IMRT QA dosimeters and analysis methods. Results: IMRT QA universally showed poor sensitivity relative to the head and neck phantom, that is, poor ability to predict a failing IROC Houston phantom result. Depending on how the IMRT QA results were interpreted, overall sensitivity ranged from 2% to 18%. For different IMRT QA methods, sensitivity ranged from 3% to 54%. Although the observed sensitivity was particularly poor at clinical thresholds (eg 3% dose difference or 90% of pixels passing gamma), receiver operator characteristic analysis indicated that no threshold showed good sensitivity and specificity for the devices evaluated. Conclusions: IMRT QA is not a reasonable replacement for a credentialing phantom. Moreover, the particularly poor agreement between IMRT QA and the IROC Houston phantoms highlights surprising inconsistency in the QA process.

  15. Institutional Patient-specific IMRT QA Does Not Predict Unacceptable Plan Delivery

    International Nuclear Information System (INIS)

    Kry, Stephen F.; Molineu, Andrea; Kerns, James R.; Faught, Austin M.; Huang, Jessie Y.; Pulliam, Kiley B.; Tonigan, Jackie; Alvarez, Paola; Stingo, Francesco; Followill, David S.

    2014-01-01

    Purpose: To determine whether in-house patient-specific intensity modulated radiation therapy quality assurance (IMRT QA) results predict Imaging and Radiation Oncology Core (IROC)-Houston phantom results. Methods and Materials: IROC Houston's IMRT head and neck phantoms have been irradiated by numerous institutions as part of clinical trial credentialing. We retrospectively compared these phantom results with those of in-house IMRT QA (following the institution's clinical process) for 855 irradiations performed between 2003 and 2013. The sensitivity and specificity of IMRT QA to detect unacceptable or acceptable plans were determined relative to the IROC Houston phantom results. Additional analyses evaluated specific IMRT QA dosimeters and analysis methods. Results: IMRT QA universally showed poor sensitivity relative to the head and neck phantom, that is, poor ability to predict a failing IROC Houston phantom result. Depending on how the IMRT QA results were interpreted, overall sensitivity ranged from 2% to 18%. For different IMRT QA methods, sensitivity ranged from 3% to 54%. Although the observed sensitivity was particularly poor at clinical thresholds (eg 3% dose difference or 90% of pixels passing gamma), receiver operator characteristic analysis indicated that no threshold showed good sensitivity and specificity for the devices evaluated. Conclusions: IMRT QA is not a reasonable replacement for a credentialing phantom. Moreover, the particularly poor agreement between IMRT QA and the IROC Houston phantoms highlights surprising inconsistency in the QA process

  16. Construction QA/QC systems: comparative analysis

    International Nuclear Information System (INIS)

    Willenbrock, J.H.; Shepard, S.

    1980-01-01

    An analysis which compares the quality assurance/quality control (QA/QC) systems adopted in the highway, nuclear power plant, and U.S. Navy construction areas with the traditional quality control approach used in building construction is presented. Full participation and support by the owner as well as the contractor and AE firm are required if a QA/QC system is to succeed. Process quality control, acceptance testing and quality assurance responsibilities must be clearly defined in the contract documents. The owner must audit these responsibilities. A contractor quality control plan, indicating the tasks which will be performed and the fact that QA/QC personnel are independent of project time/cost pressures should be submitted for approval. The architect must develop realistic specifications which consider the natural variability of material. Acceptance criteria based on the random sampling technique should be used. 27 refs

  17. MO-A-16A-01: QA Procedures and Metrics: In Search of QA Usability

    International Nuclear Information System (INIS)

    Sathiaseelan, V; Thomadsen, B

    2014-01-01

    Radiation therapy has undergone considerable changes in the past two decades with a surge of new technology and treatment delivery methods. The complexity of radiation therapy treatments has increased and there has been increased awareness and publicity about the associated risks. In response, there has been proliferation of guidelines for medical physicists to adopt to ensure that treatments are delivered safely. Task Group recommendations are copious, and clinical physicists' hours are longer, stretched to various degrees between site planning and management, IT support, physics QA, and treatment planning responsibilities.Radiation oncology has many quality control practices in place to ensure the delivery of high-quality, safe treatments. Incident reporting systems have been developed to collect statistics about near miss events at many radiation oncology centers. However, tools are lacking to assess the impact of these various control measures. A recent effort to address this shortcoming is the work of Ford et al (2012) who recently published a methodology enumerating quality control quantification for measuring the effectiveness of safety barriers. Over 4000 near-miss incidents reported from 2 academic radiation oncology clinics were analyzed using quality control quantification, and a profile of the most effective quality control measures (metrics) was identified.There is a critical need to identify a QA metric to help the busy clinical physicists to focus their limited time and resources most effectively in order to minimize or eliminate errors in the radiation treatment delivery processes. In this symposium the usefulness of workflows and QA metrics to assure safe and high quality patient care will be explored.Two presentations will be given:Quality Metrics and Risk Management with High Risk Radiation Oncology ProceduresStrategies and metrics for quality management in the TG-100 Era Learning Objectives: Provide an overview and the need for QA usability

  18. MO-A-16A-01: QA Procedures and Metrics: In Search of QA Usability

    Energy Technology Data Exchange (ETDEWEB)

    Sathiaseelan, V [Northwestern Memorial Hospital, Chicago, IL (United States); Thomadsen, B [University of Wisconsin, Madison, WI (United States)

    2014-06-15

    Radiation therapy has undergone considerable changes in the past two decades with a surge of new technology and treatment delivery methods. The complexity of radiation therapy treatments has increased and there has been increased awareness and publicity about the associated risks. In response, there has been proliferation of guidelines for medical physicists to adopt to ensure that treatments are delivered safely. Task Group recommendations are copious, and clinical physicists' hours are longer, stretched to various degrees between site planning and management, IT support, physics QA, and treatment planning responsibilities.Radiation oncology has many quality control practices in place to ensure the delivery of high-quality, safe treatments. Incident reporting systems have been developed to collect statistics about near miss events at many radiation oncology centers. However, tools are lacking to assess the impact of these various control measures. A recent effort to address this shortcoming is the work of Ford et al (2012) who recently published a methodology enumerating quality control quantification for measuring the effectiveness of safety barriers. Over 4000 near-miss incidents reported from 2 academic radiation oncology clinics were analyzed using quality control quantification, and a profile of the most effective quality control measures (metrics) was identified.There is a critical need to identify a QA metric to help the busy clinical physicists to focus their limited time and resources most effectively in order to minimize or eliminate errors in the radiation treatment delivery processes. In this symposium the usefulness of workflows and QA metrics to assure safe and high quality patient care will be explored.Two presentations will be given:Quality Metrics and Risk Management with High Risk Radiation Oncology ProceduresStrategies and metrics for quality management in the TG-100 Era Learning Objectives: Provide an overview and the need for QA usability

  19. Spectrofluorimetric determination of gemifloxacin mesylate and linezolid in pharmaceutical formulations: Application of quinone-based fluorophores and enhanced native fluorescence

    Directory of Open Access Journals (Sweden)

    Moussa Bahia Abbas

    2014-03-01

    Full Text Available Quinone-based fluorophores and enhanced native fluorescence techniques were applied for a fast quantitative analysis of gemifloxacin mesylate (GEM and linezolid (LIN in pharmaceutical formulations. For this purpose, three sensitive, accurate and precise spectrofluorimetric methods were developed. GEM, as an n-electron donor, reacts with 7,7,8,8-tetracyanoquinodimethane (method A and 2,5-dichloro-3,6-dihydroxy-p-benzoquinone (method B as п-electron acceptors, forming charge transfer complexes that exhibit high fluorescence intensity at 441 and 390 nm upon excitation at 260 and 339 nm, respectively. Method C depends on measurement of enhanced native fluorescence of LIN in phosphate buffer (pH 5 at 380 nm upon excitation at 260 nm. Experimental factors affecting fluorescence intensity were optimized. Linearity was obtained over concentration ranges 50-500, 10-60 and 20-400 ng mL-1 for methods A, B and C, respectively. The developed methods were validated and successfully applied for determination of the cited drugs in tablets.

  20. Quinones: reactions with hemoglobin, effects within erythrocytes and potential for antimalarial development

    International Nuclear Information System (INIS)

    Denny, B.J.

    1986-01-01

    The focus of this research was to characterize the interactions of some simple quinone like compounds with purified hemoglobin and to study the effects of these compounds within erythrocytes. It is proposed that these sorts of agents can have an antimalarial effect. The simplest compounds chosen for study were benzoquinone, methylquinone (toluquinone) and hydroquinone. When 14 C-quinone was reacted with purified hemoglobin (Hb) there was rapid binding of the first two moles of substrate per Hb molecule. An unusual property of the modified Hb's is that in the presence of a redox sensitive agent such as cytochrome c they are capable of generating superoxide anions. Within erythrocytes, quinone and toluquinone which differ only by a single methyl group have completely different effects. Toluquinone causes the cells to hemolyse and the effect was enhanced when the erythrocyte superoxide dismutase was inhibited; the effect was diminished when scavengers of activated oxygen such as histidine, mannitol and vital E were present. Benzoquinone on the other hand did not cause the cells to hemolyse and instead appeared to protect the cells from certain hemolytic stresses. Growth of malaria parasites in erythrocytes has been shown to be inhibited by activated forms of oxygen, also some quinone like agents in the past have been shown to inhibit the parasite's metabolism. An initial experiment with erythrocytes infected with malaria parasites showed that quinone and toluquinone could both inhibit the growth rate of parasites

  1. Role of QA in total quality management environment

    International Nuclear Information System (INIS)

    McCarthy, J.B.; Ayres, R.A.

    1992-01-01

    A successful company in today's highly competitive business environment must emphasize quality in all activities at all times. For most companies, this requires a major cultural change to establish appropriate operating attitudes and priorities. A total quality environment is required where quality becomes a way of life, and this process must be carefully managed. It will not be accomplished in a few short months with a simple management pronouncement. Instead, it evolves over a period of years through continuous incremental improvement. This evolution towards total quality requires a dramatic change in the quality assurance (QA) function of most companies. Traditionally, quality was automatically equated to QA and its attendant procedures and personnel. Now, quality is becoming a global concept, and QA can play a significant role in the process. The QA profession must, however, recognize and accept a new role as consultant, coach, and partner in today's total quality game. The days of the hard-line enforcer of procedural requirements are gone

  2. Bioinspired aerobic oxidation of secondary amines and nitrogen heterocycles with a bifunctional quinone catalyst.

    Science.gov (United States)

    Wendlandt, Alison E; Stahl, Shannon S

    2014-01-08

    Copper amine oxidases are a family of enzymes with quinone cofactors that oxidize primary amines to aldehydes. The native mechanism proceeds via an iminoquinone intermediate that promotes high selectivity for reactions with primary amines, thereby constraining the scope of potential biomimetic synthetic applications. Here we report a novel bioinspired quinone catalyst system consisting of 1,10-phenanthroline-5,6-dione/ZnI2 that bypasses these constraints via an abiological pathway involving a hemiaminal intermediate. Efficient aerobic dehydrogenation of non-native secondary amine substrates, including pharmaceutically relevant nitrogen heterocycles, is demonstrated. The ZnI2 cocatalyst activates the quinone toward amine oxidation and provides a source of iodide, which plays an important redox-mediator role to promote aerobic catalytic turnover. These findings provide a valuable foundation for broader development of aerobic oxidation reactions employing quinone-based catalysts.

  3. On the effect of nuclear bridge modes on donor-acceptor electronic coupling in donor-bridge-acceptor molecules

    International Nuclear Information System (INIS)

    Davis, Daly; Toroker, Maytal Caspary; Speiser, Shammai; Peskin, Uri

    2009-01-01

    We report a theoretical study of intra-molecular electronic coupling in a symmetric DBA (donor-bridge-acceptor) complex, in which a donor electronic site is coupled to an acceptor site by way of intervening orbitals of a molecular bridge unit. In the off-resonant (deep tunneling) regime of electronic transport, the lowest unoccupied molecular orbitals (MO's) of the DBA system are split into distinguishable donor/acceptor and bridge orbitals. The effect of geometrical changes at the bridge on the donor/acceptor electronic energy manifold is studied for local stretching and bending modes. It is demonstrated that the energy splitting in the manifold of donor/acceptor unoccupied MOs changes in response to such changes, as assumed in simple McConnell-type models. Limitations of the simple models are revealed where the electronic charging of the bridge orbitals correlates with increasing donor/acceptor orbital energy splitting only for stretching but not for bending bridge modes.

  4. The role of deep acceptor centers in the oxidation of acceptor-doped wide-band-gap perovskites ABO{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Putilov, L.P., E-mail: lev.putilov@gmail.com; Tsidilkovski, V.I.

    2017-03-15

    The impact of deep acceptor centers on defect thermodynamics and oxidation of wide-band-gap acceptor-doped perovskites without mixed-valence cations is studied. These deep centers are formed by the acceptor-bound small hole polarons whose stabilization energy can be high enough (significantly higher than the hole-acceptor Coulomb interaction energy). It is shown that the oxidation enthalpy ΔH{sub ox} of oxide is determined by the energy ε{sub A} of acceptor-bound states along with the formation energy E{sub V} of oxygen vacancies. The oxidation reaction is demonstrated to be either endothermic or exothermic, and the regions of ε{sub A} and E{sub V} values corresponding to the positive or negative ΔH{sub ox} are determined. The contribution of acceptor-bound holes to the defect thermodynamics strongly depends on the acceptor states depth ε{sub A}: it becomes negligible at ε{sub A} less than a certain value (at which the acceptor levels are still deep). With increasing ε{sub A}, the concentration of acceptor-bound small hole polarons can reach the values comparable to the dopant content. The results are illustrated with the acceptor-doped BaZrO{sub 3} as an example. It is shown that the experimental data on the bulk hole conductivity of barium zirconate can be described both in the band transport model and in the model of hopping small polarons localized on oxygen ions away from the acceptor centers. Depending on the ε{sub A} magnitude, the oxidation reaction can be either endothermic or exothermic for both mobility mechanisms.

  5. Enhanced bio-decolorization of azo dyes by co-immobilized quinone-reducing consortium and anthraquinone

    DEFF Research Database (Denmark)

    Su, YY; Zhang, Yifeng; Wang, J

    2009-01-01

    In the present study, the accelerating effect of co-immobilized anthraquinone and quinone-reducing consortium was investigated in the bio-decolorization process. The anthraquinone and quinone-reducing consortium were co-immobilized by entrapment in calcium alginate. The co-immobilized beads...

  6. X-ray structural studies of quinone reductase 2 nanomolar range inhibitors

    Energy Technology Data Exchange (ETDEWEB)

    Pegan, Scott D.; Sturdy, Megan; Ferry, Gilles; Delagrange, Philippe; Boutin, Jean A.; Mesecar, Andrew D. (IdRS); (Purdue); (Colorado); (UIC)

    2011-09-06

    Quinone reductase 2 (QR2) is one of two members comprising the mammalian quinone reductase family of enzymes responsible for performing FAD mediated reductions of quinone substrates. In contrast to quinone reductase 1 (QR1) which uses NAD(P)H as its co-substrate, QR2 utilizes a rare group of hydride donors, N-methyl or N-ribosyl nicotinamide. Several studies have linked QR2 to the generation of quinone free radicals, several neuronal degenerative diseases, and cancer. QR2 has been also identified as the third melatonin receptor (MT3) through in cellulo and in vitro inhibition of QR2 by traditional MT3 ligands, and through recent X-ray structures of human QR2 (hQR2) in complex with melatonin and 2-iodomelatonin. Several MT3 specific ligands have been developed that exhibit both potent in cellulo inhibition of hQR2 nanomolar, affinity for MT3. The potency of these ligands suggest their use as molecular probes for hQR2. However, no definitive correlation between traditionally obtained MT3 ligand affinity and hQR2 inhibition exists limiting our understanding of how these ligands are accommodated in the hQR2 active site. To obtain a clearer relationship between the structures of developed MT3 ligands and their inhibitory properties, in cellulo and in vitro IC{sub 50} values were determined for a representative set of MT3 ligands (MCA-NAT, 2-I-MCANAT, prazosin, S26695, S32797, and S29434). Furthermore, X-ray structures for each of these ligands in complex with hQR2 were determined allowing for a structural evaluation of the binding modes of these ligands in relation to the potency of MT3 ligands.

  7. Acceptors in ZnO

    Energy Technology Data Exchange (ETDEWEB)

    McCluskey, Matthew D., E-mail: mattmcc@wsu.edu; Corolewski, Caleb D.; Lv, Jinpeng; Tarun, Marianne C.; Teklemichael, Samuel T. [Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164-2814 (United States); Walter, Eric D. [Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Norton, M. Grant; Harrison, Kale W. [School of Mechanical and Materials Engineering, Washington State University, Pullman, Washington 99164-2920 (United States); Ha, Su [Voiland School of Chemical Engineering and Bioengineering, Washington State University, Pullman, Washington 99164-6515 (United States)

    2015-03-21

    Zinc oxide (ZnO) has potential for a range of applications in the area of optoelectronics. The quest for p-type ZnO has focused much attention on acceptors. In this paper, Cu, N, and Li acceptor impurities are discussed. Experimental evidence indicates these point defects have acceptor levels 3.2, 1.4, and 0.8 eV above the valence-band maximum, respectively. The levels are deep because the ZnO valence band is quite low compared to conventional, non-oxide semiconductors. Using MoO{sub 2} contacts, the electrical resistivity of ZnO:Li was measured and showed behavior consistent with bulk hole conduction for temperatures above 400 K. A photoluminescence peak in ZnO nanocrystals is attributed to an acceptor, which may involve a Zn vacancy. High field (W-band) electron paramagnetic resonance measurements on the nanocrystals revealed an axial center with g{sub ⊥} = 2.0015 and g{sub //} = 2.0056, along with an isotropic center at g = 2.0035.

  8. NRC overview: Repository QA

    International Nuclear Information System (INIS)

    Kennedy, J.E.

    1988-01-01

    The US Department of Energy (DOE) is on the threshold of an extensive program for characterizing Yucca Mountain in Nevada to determine if it is a suitable site for the permanent disposal of high-level nuclear waste. Earlier this year, the DOE published the Consultation Draft Site Characterization Plan for the Nevada site, which describes in some detail the studies that need to be performed to determine if the site is acceptable. In the near future, the final site characterization plan (SCP) is expected to be issued and large-scale site characterization activities to begin. The data and analyses that will result from the execution of that plan are expected to be the primary basis for the license application to the US Nuclear Regulatory Commission (NRC). Because of the importance of these data and analyses in the assessment of the suitability of the site and in the demonstration of that suitability in the NRC licensing process, the NRC requires in 10CFR60 that site characterization be performed under a quality assurance (QA) program. The QA program is designed to provide confidence that data are valid, retrievable, and reproducible. The documentation produced by the program will form an important part of the record on which the suitability of the site is judged in licensing. In addition, because the NRC staff can review only a selected portion of the data collected, the staff will need to rely on the system of controls in the DOE QA program

  9. Oxygen control of nif gene expression in Klebsiella pneumoniae depends on NifL reduction at the cytoplasmic membrane by electrons derived from the reduced quinone pool.

    Science.gov (United States)

    Grabbe, Roman; Schmitz, Ruth A

    2003-04-01

    In Klebsiella pneumoniae, the flavoprotein, NifL regulates NifA mediated transcriptional activation of the N2-fixation (nif) genes in response to molecular O2 and ammonium. We investigated the influence of membrane-bound oxidoreductases on nif-regulation by biochemical analysis of purified NifL and by monitoring NifA-mediated expression of nifH'-'lacZ reporter fusions in different mutant backgrounds. NifL-bound FAD-cofactor was reduced by NADH only in the presence of a redox-mediator or inside-out vesicles derived from anaerobically grown K. pneumoniae cells, indicating that in vivo NifL is reduced by electrons derived from membrane-bound oxidoreductases of the anaerobic respiratory chain. This mechanism is further supported by three lines of evidence: First, K. pneumoniae strains carrying null mutations of fdnG or nuoCD showed significantly reduced nif-induction under derepressing conditions, indicating that NifL inhibition of NifA was not relieved in the absence of formate dehydrogenase-N or NADH:ubiquinone oxidoreductase. The same effect was observed in a heterologous Escherichia coli system carrying a ndh null allele (coding for NADH dehydrogenaseII). Second, studying nif-induction in K. pneumoniae revealed that during anaerobic growth in glycerol, under nitrogen-limitation, the presence of the terminal electron acceptor nitrate resulted in a significant decrease of nif-induction. The final line of evidence is that reduced quinone derivatives, dimethylnaphthoquinol and menadiol, are able to transfer electrons to the FAD-moiety of purified NifL. On the basis of these data, we postulate that under anaerobic and nitrogen-limited conditions, NifL inhibition of NifA activity is relieved by reduction of the FAD-cofactor by electrons derived from the reduced quinone pool, generated by anaerobic respiration, that favours membrane association of NifL. We further hypothesize that the quinol/quinone ratio is important for providing the signal to NifL.

  10. Moving from gamma passing rates to patient DVH-based QA metrics in pretreatment dose QA

    Energy Technology Data Exchange (ETDEWEB)

    Zhen, Heming; Nelms, Benjamin E.; Tome, Wolfgang A. [Department of Medical Physics, University of Wisconsin, Madison, Wisconsin 53705 (United States); Department of Human Oncology, University of Wisconsin, Madison, Wisconsin 53792 and Canis Lupus LLC, Merrimac, Wisconsin 53561 (United States); Department of Medical Physics, University of Wisconsin, Madison, Wisconsin 53705 and Department of Human Oncology, University of Wisconsin, Madison, Wisconsin 53792 (United States)

    2011-10-15

    Purpose: The purpose of this work is to explore the usefulness of the gamma passing rate metric for per-patient, pretreatment dose QA and to validate a novel patient-dose/DVH-based method and its accuracy and correlation. Specifically, correlations between: (1) gamma passing rates for three 3D dosimeter detector geometries vs clinically relevant patient DVH-based metrics; (2) Gamma passing rates of whole patient dose grids vs DVH-based metrics, (3) gamma passing rates filtered by region of interest (ROI) vs DVH-based metrics, and (4) the capability of a novel software algorithm that estimates corrected patient Dose-DVH based on conventional phan-tom QA data are analyzed. Methods: Ninety six unique ''imperfect'' step-and-shoot IMRT plans were generated by applying four different types of errors on 24 clinical Head/Neck patients. The 3D patient doses as well as the dose to a cylindrical QA phantom were then recalculated using an error-free beam model to serve as a simulated measurement for comparison. Resulting deviations to the planned vs simulated measured DVH-based metrics were generated, as were gamma passing rates for a variety of difference/distance criteria covering: dose-in-phantom comparisons and dose-in-patient comparisons, with the in-patient results calculated both over the whole grid and per-ROI volume. Finally, patient dose and DVH were predicted using the conventional per-beam planar data as input into a commercial ''planned dose perturbation'' (PDP) algorithm, and the results of these predicted DVH-based metrics were compared to the known values. Results: A range of weak to moderate correlations were found between clinically relevant patient DVH metrics (CTV-D95, parotid D{sub mean}, spinal cord D1cc, and larynx D{sub mean}) and both 3D detector and 3D patient gamma passing rate (3%/3 mm, 2%/2 mm) for dose-in-phantom along with dose-in-patient for both whole patient volume and filtered per-ROI. There was

  11. Investigations of low qa discharges in the SINP tokamak

    Indian Academy of Sciences (India)

    Low edge safety factor discharges including very low qa (1 qa ... From fluctuation analysis of the external magnetic probe data it has been found that MHD ... To investigate the internal details of these discharges, an internal magnetic probe ...

  12. KINERJA AKADEMIK PASCA SERTIFIKASI AUN-QA PADA PROGRAM STUDI DI INSTITUT PERTANIAN BOGOR

    Directory of Open Access Journals (Sweden)

    Adelyna Adelyna

    2016-05-01

    Full Text Available The aims of the research are to evaluate the academic performance progress of the six study programs of IPB after the certification of AUN-QA. The research was a case study in six study programs that had been certified by AUN-QA until December 2014. This research was conducted with the objectives of defining the relevant indicators of BSC IPB and AUN-QA criteria, analyzing the criteria values of AUN-QA after the AUN-QA certification, analyzing the academic performance based on KPI BSC after the AUN-QA certification, and analyzing the problems in improving academic performance as the basis for the formulation of strategies for improving academic quality. The method used in this research was the balanced scorecard approach (BSC. The results showed that the certification of AUN-QA contains 15 relevant criteria and supports the achievement of BSC IPB. Key performance indicators (KPI BSC IPB supported by the AUN-QA criteria consist of 21 of the 33 indicators of BSC IPB, and 14 of them are relegated to the BSC department indicators. The AUN-QA criteria values on the study program have increased with the highest criterion value in student quality and the lowest one in support staff quality. The weak criteria required to be improved include support staff quality, student assessment, stakeholder feedback, and program specification.Keywords: AUN-QA certification, academic performance, balanced scorecard

  13. QA experience at the University of Wisconsin accredited dosimetry calibration laboratory

    Energy Technology Data Exchange (ETDEWEB)

    DeWard, L.A.; Micka, J.A. [Univ. of Wisconsin, Madison, WI (United States)

    1993-12-31

    The University of Wisconsin Accredited Dosimetry Calibration Laboratory (UW ADCL) employs procedure manuals as part of its Quality Assurance (QA) program. One of these manuals covers the QA procedures and results for all of the UW ADCL measurement equipment. The QA procedures are divided into two main areas: QA for laboratory equipment and QA for external chambers sent for calibration. All internal laboratory equipment is checked and recalibrated on an annual basis, after establishing its consistency on a 6-month basis. QA for external instruments involves checking past calibration history as well as comparing to a range of calibration values for specific instrument models. Generally, the authors find that a chamber will have a variation of less than 0.5 % from previous Co-60 calibration factors, and falls within two standard deviations of previous calibrations. If x-ray calibrations are also performed, the energy response of the chamber is plotted and compared to previous instruments of the same model. These procedures give the authors confidence in the transfer of calibration values from National Institute of Standards and Technology (NIST).

  14. QA experience at the University of Wisconsin accredited dosimetry calibration laboratory

    International Nuclear Information System (INIS)

    DeWard, L.A.; Micka, J.A.

    1993-01-01

    The University of Wisconsin Accredited Dosimetry Calibration Laboratory (UW ADCL) employs procedure manuals as part of its Quality Assurance (QA) program. One of these manuals covers the QA procedures and results for all of the UW ADCL measurement equipment. The QA procedures are divided into two main areas: QA for laboratory equipment and QA for external chambers sent for calibration. All internal laboratory equipment is checked and recalibrated on an annual basis, after establishing its consistency on a 6-month basis. QA for external instruments involves checking past calibration history as well as comparing to a range of calibration values for specific instrument models. Generally, the authors find that a chamber will have a variation of less than 0.5 % from previous Co-60 calibration factors, and falls within two standard deviations of previous calibrations. If x-ray calibrations are also performed, the energy response of the chamber is plotted and compared to previous instruments of the same model. These procedures give the authors confidence in the transfer of calibration values from National Institute of Standards and Technology (NIST)

  15. SU-E-T-11: A Cloud Based CT and LINAC QA Data Management System

    International Nuclear Information System (INIS)

    Wiersma, R; Grelewicz, Z; Belcher, A; Liu, X

    2015-01-01

    Purpose: The current status quo of QA data management consists of a mixture of paper-based forms and spreadsheets for recording the results of daily, monthly, and yearly QA tests for both CT scanners and LINACs. Unfortunately, such systems suffer from a host of problems as, (1) records can be easily lost or destroyed, (2) data is difficult to access — one must physically hunt down records, (3) poor or no means of historical data analysis, and (4) no remote monitoring of machine performance off-site. To address these issues, a cloud based QA data management system was developed and implemented. Methods: A responsive tablet interface that optimizes clinic workflow with an easy-to-navigate interface accessible from any web browser was implemented in HTML/javascript/CSS to allow user mobility when entering QA data. Automated image QA was performed using a phantom QA kit developed in Python that is applicable to any phantom and is currently being used with the Gammex ACR, Las Vegas, Leeds, and Catphan phantoms for performing automated CT, MV, kV, and CBCT QAs, respectively. A Python based resource management system was used to distribute and manage intensive CPU tasks such as QA phantom image analysis or LaTeX-to-PDF QA report generation to independent process threads or different servers such that website performance is not affected. Results: To date the cloud QA system has performed approximately 185 QA procedures. Approximately 200 QA parameters are being actively tracked by the system on a monthly basis. Electronic access to historical QA parameter information was successful in proactively identifying a Linac CBCT scanner’s performance degradation. Conclusion: A fully comprehensive cloud based QA data management system was successfully implemented for the first time. Potential machine performance issues were proactively identified that would have been otherwise missed by a paper or spreadsheet based QA system

  16. SU-E-T-11: A Cloud Based CT and LINAC QA Data Management System

    Energy Technology Data Exchange (ETDEWEB)

    Wiersma, R; Grelewicz, Z; Belcher, A; Liu, X [The University of Chicago, Chicago, IL (United States)

    2015-06-15

    Purpose: The current status quo of QA data management consists of a mixture of paper-based forms and spreadsheets for recording the results of daily, monthly, and yearly QA tests for both CT scanners and LINACs. Unfortunately, such systems suffer from a host of problems as, (1) records can be easily lost or destroyed, (2) data is difficult to access — one must physically hunt down records, (3) poor or no means of historical data analysis, and (4) no remote monitoring of machine performance off-site. To address these issues, a cloud based QA data management system was developed and implemented. Methods: A responsive tablet interface that optimizes clinic workflow with an easy-to-navigate interface accessible from any web browser was implemented in HTML/javascript/CSS to allow user mobility when entering QA data. Automated image QA was performed using a phantom QA kit developed in Python that is applicable to any phantom and is currently being used with the Gammex ACR, Las Vegas, Leeds, and Catphan phantoms for performing automated CT, MV, kV, and CBCT QAs, respectively. A Python based resource management system was used to distribute and manage intensive CPU tasks such as QA phantom image analysis or LaTeX-to-PDF QA report generation to independent process threads or different servers such that website performance is not affected. Results: To date the cloud QA system has performed approximately 185 QA procedures. Approximately 200 QA parameters are being actively tracked by the system on a monthly basis. Electronic access to historical QA parameter information was successful in proactively identifying a Linac CBCT scanner’s performance degradation. Conclusion: A fully comprehensive cloud based QA data management system was successfully implemented for the first time. Potential machine performance issues were proactively identified that would have been otherwise missed by a paper or spreadsheet based QA system.

  17. Utility view on QA/QC of WWER-440 fuel design and manufacture

    International Nuclear Information System (INIS)

    Vesely, P.

    1999-01-01

    In this lecture the legislation implements in the Czech Republic, QA/QC system at CEZ, demonstration and development program (purchaser point of view), audit of QA/QC system for fuel design and manufacturing as well as QA/QC records are discussed

  18. Near infrared organic light-emitting diodes based on acceptor-donor-acceptor (ADA) using novel conjugated isatin Schiff bases

    International Nuclear Information System (INIS)

    Taghi Sharbati, Mohammad; Soltani Rad, Mohammad Navid; Behrouz, Somayeh; Gharavi, Alireza; Emami, Farzin

    2011-01-01

    Fabrications of a single layer organic light emitting diodes (OLEDs) based on two conjugated acceptor-donor-acceptor (ADA) isatin Schiff bases are described. The electroluminescent spectra of these materials range from 630 to 700 nm and their band gaps were measured between 1.97 and 1.77 eV. The measured maximum external quantum efficiencies (EQE) for fabricated OLEDs are 0.0515% and 0.054% for two acceptor-donor-acceptor chromophores. The Commission International De L'Eclairage (CIE) (1931) coordinates of these two compounds were attained and found to be (0.4077, 0.4128) and (0.4411, 0.4126) for two used acceptor-donor-acceptor chromophores. The measured I-V curves demonstrated the apparent diode behavior of two ADA chromophores. The turn-on voltages in these OLEDs are directly dependent on the thickness. These results have demonstrated that ADA isatin Schiff bases could be considered as promising electroluminescence-emitting materials for fabrication of OLEDs.

  19. WE-AB-201-00: Treatment Planning System Commissioning and QA

    International Nuclear Information System (INIS)

    2015-01-01

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  20. WE-AB-201-00: Treatment Planning System Commissioning and QA

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2015-06-15

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  1. Accounting for human factor in QC and QA inspections

    International Nuclear Information System (INIS)

    Goodman, J.

    1986-01-01

    Two types of human error during QC/QA inspection have been identified. The method of accounting for the effects of human error in QC/QA inspections was developed. The result of evaluation of the proportion of discrepant items in the population is affected significantly by human factor

  2. Preliminary X-ray crystallographic analysis of sulfide:quinone oxidoreductase from Acidithiobacillus ferrooxidans

    International Nuclear Information System (INIS)

    Zhang, Yanfei; Cherney, Maia M.; Solomonson, Matthew; Liu, Jianshe; James, Michael N. G.; Weiner, Joel H.

    2009-01-01

    The sulfide:quinone oxidoreductase from A. ferrooxidans ATCC 23270 was overexpressed in E. coli and purified. Crystallization and preliminarily X-ray crystallographic analysis were performed for the recombinant enzyme. The gene product of open reading frame AFE-1293 from Acidithiobacillus ferrooxidans ATCC 23270 is annotated as encoding a sulfide:quinone oxidoreductase, an enzyme that catalyses electron transfer from sulfide to quinone. Following overexpression in Escherichia coli, the enzyme was purified and crystallized using the hanging-drop vapour-diffusion method. The native crystals belonged to the tetragonal space group P4 2 2 1 2, with unit-cell parameters a = b = 131.7, c = 208.8 Å, and diffracted to 2.3 Å resolution. Preliminary crystallographic analysis indicated the presence of a dimer in the asymmetric unit, with an extreme value of the Matthews coefficient (V M ) of 4.53 Å 3 Da −1 and a solvent content of 72.9%

  3. SU-F-T-287: A Preliminary Study On Patient Specific VMAT Verification Using a Phosphor-Screen Based Geometric QA System (Raven QA)

    International Nuclear Information System (INIS)

    Lee, M; Yi, B; Wong, J; Ding, K

    2016-01-01

    Purpose: The RavenQA system (LAP Laser, Germany) is a QA device with a phosphor screen detector for performing the QA tasks of TG-142. This study tested if it is feasible to use the system for the patient specific QA of the Volumetric Modulated Arc Therapy (VMAT). Methods: Water equivalent material (5cm) is attached to the front of the detector plate of the RavenQA for dosimetry purpose. Then the plate is attached to the gantry to synchronize the movement between the detector and the gantry. Since the detector moves together with gantry, The ’Reset gantry to 0’ function of the Eclipse planning system (Varian, CA) is used to simulate the measurement situation when calculating dose of the detector plate. The same gantry setup is used when delivering the treatment beam for feasibility test purposes. Cumulative dose is acquired for each arc. The optical scatter component of each captured image from the CCD camera is corrected by deconvolving the 2D spatial invariant optical scatter kernel (OSK). We assume that the OSK is a 2D isotropic point spread function with inverse-squared decrease as a function of radius from the center. Results: Three cases of VMAT plans including head & neck, whole pelvis and abdomen-pelvis are tested. Setup time for measurements was less than 5 minutes. Passing rates of absolute gamma were 99.3, 98.2, 95.9 respectively for 3%/3mm criteria and 96.2, 97.1, 86.4 for 2%/2mm criteria. The abdomen-pelvis field has long treatment fields, 37cm, which are longer than the detector plate (25cm). This plan showed relatively lower passing rate than other plans. Conclusion: An algorithm for IMRT/VMAT verification using the RavenQA has been developed and tested. The model of spatially invariant OSK works well for deconvolution purpose. It is proved that the RavenQA can be used for the patient specific verification of VMAT. This work is funded in part by a Maryland Industrial Partnership Program grant to University of Maryland and to JPLC who owns the

  4. Physics acceptance and QA procedures for IMRT

    International Nuclear Information System (INIS)

    LoSasso, T.; Ling, C.

    2001-01-01

    Full text: Intensity modulated radiation therapy (IMRT) may improve tumor control without compromising normal tissues by facilitating higher, more conformal tumor doses relative to 3D CRT. Intensity modulation (IM) is now possible with inverse planning and radiation delivery using dynamic multileaf collimation. Compared to 3D CRT, certain components in the IMRT process are more obscure to the user. Thus, special quality assurance procedures are required. Hardware and software are still relatively new to many users, and the potential for error is unknown. The relationship between monitor unit (MU) setting and radiation dose for IM beams is much more complex than for non-IM fields. The leaf sequence computer files, which control the MLC position as a function of MU, are large and do not lend themselves to simple manual verification. The 'verification' port film for each IM treatment field, usually obtained with the MLC set at the extreme leaf positions for that field to outline the entire irradiated area, does not verify the intensity modulation pattern. Finally, in IMRT using DMLC (the so-called sliding window technique), a small error in the window (or gap) width will lead to a significant dose error. In earlier papers, we provided an evaluation of the mechanical and dosimetric aspects in the use of a MLC in the dynamic mode. Mechanical tolerances are significantly tighter for DMLC than for static MLC treatments. Transmission through the leaves and through rounded leaf ends and head scatter were shown to be significant to the accuracy of radiation dose delivery using DMLC. With these considerations, we concluded that the present DMLC hardware and software are effective for routine clinical implementation, provided that a carefully designed routine QA procedure is followed to assure the normality of operation. In our earlier studies, an evaluation of the long-term stability of DMLC operation had not yet been performed. This paper describes the current status of our

  5. WE-B-BRD-03: MR QA/QC for MRgRT

    Energy Technology Data Exchange (ETDEWEB)

    Layman, R. [Ohio State Univ (United States)

    2015-06-15

    The use of MRI in radiation therapy is rapidly increasing. Applications vary from the MRI simulator, to the MRI fused with CT, and to the integrated MRI+RT system. Compared with the standard MRI QA, a broader scope of QA features has to be defined in order to maximize the benefits of using MRI in radiation therapy. These QA features include geometric fidelity, image registration, motion management, cross-system alignment, and hardware interference. Advanced MRI techniques require a specific type of QA, as they are being widely used in radiation therapy planning, dose calculations, post-implant dosimetry, and prognoses. A vigorous and adaptive QA program is crucial to defining the responsibility of the entire radiation therapy group and detecting deviations from the performance of high-quality treatment. As a drastic departure from CT simulation, MRI simulation requires changes in the work flow of treatment planning and image guidance. MRI guided radiotherapy platforms are being developed and commercialized to take the advantage of the advance in knowledge, technology and clinical experience. This symposium will from an educational perspective discuss the scope and specific issues related to MRI guided radiotherapy. Learning Objectives: Understand the difference between a standard and a radiotherapy-specific MRI QA program. Understand the effects of MRI artifacts (geometric distortion and motion) on radiotherapy. Understand advanced MRI techniques (ultrashort echo, fast MRI including dynamic MRI and 4DMRI, diffusion, perfusion, and MRS) and related QA. Understand the methods to prepare MRI for treatment planning (electron density assignment, multimodality image registration, segmentation and motion management). Current status of MRI guided treatment platforms. Dr. Jihong Wang has a research grant with Elekta-MRL project. Dr. Ke Sheng receives research grants from Varian Medical systems.

  6. Concept of a QA-programme for the recipient country, goals and measures

    International Nuclear Information System (INIS)

    Thomas, F.W.

    1986-04-01

    Ordering, design and erection of a NPP is a complex business even in a country with experience. Therefore a QA-Programme can be helpful to do the work in a planned and organized manner. In the case of a recipient country the use of administrative QA-measures seems to be a necessary support, especially for the ordering company. It is not the intention of the QA-Programme to say what to do, and so it cannot solve ''political'' questions of the business, but the QA-Programme can say how the work has to be done to bring it to a good end. This lecture points out the most important and interesting questions in the phase of establishing a QA-Programme. Examples of solutions are given. (author). 13 figs

  7. Current Status of QA For Nuclear Power Plants in Japan

    International Nuclear Information System (INIS)

    Nagoshi, Hitohiko

    1986-01-01

    It is the current status of QA and our QA experiences with nuclear power plants against the background of the Japanese social and business environment. Accordingly, in 1972, 'The Guidance for Quality Assurance in Construction of Nuclear Power Plants' based on U. S. 10CEF50 Appendix B, was published by the Japan Electric Association. 'Jug-4101 The Guide for Quality Assurance of Nuclear Power Plants' has been prepared by referring to the IAEA QA code. The Guide has been accepted by the Japanese nuclear industry and applied to the QA programs of every organization concerned therewith. The Japanese approach to higher quality will naturally be different from that of other countries because of Japan's cultural, social, and economic conditions. Even higher quality is being aimed at through the LWR Improvement and Standardization Program and coordinated quality assurance efforts

  8. The GSPC: Newest Franchise in al-Qa'ida's Global Jihad

    National Research Council Canada - National Science Library

    Boudali, Lianne K

    2007-01-01

    ... of support in Europe. The alignment of the GSPC with al Qa ida represents a significant change in the group's strategy, however, its decision to join al Qa ida's global jihad should be understood as an act of desperation...

  9. Conjugated donor-acceptor-acceptor (D-A-A) molecule for organic nonvolatile resistor memory.

    Science.gov (United States)

    Dong, Lei; Li, Guangwu; Yu, An-Dih; Bo, Zhishan; Liu, Cheng-Liang; Chen, Wen-Chang

    2014-12-01

    A new donor-acceptor-acceptor (D-A-A) type of conjugated molecule, N-(4-(N',N'-diphenyl)phenylamine)-4-(4'-(2,2-dicyanovinyl)phenyl) naphthalene-1,8-dicarboxylic monoimide (TPA-NI-DCN), consisting of triphenylamine (TPA) donors and naphthalimide (NI)/dicyanovinylene (DCN) acceptors was synthesized and characterized. In conjunction with previously reported D-A based materials, the additional DCN moiety attached as end group in the D-A-A configuration can result in a stable charge transfer (CT) and charge-separated state to maintain the ON state current. The vacuum-deposited TPA-NI-DCN device fabricated as an active memory layer was demonstrated to exhibit write-once-read-many (WORM) switching characteristics of organic nonvolatile memory due to the strong polarity of the TPA-NI-DCN moiety. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Non-fullerene electron acceptors for organic photovoltaic devices

    Energy Technology Data Exchange (ETDEWEB)

    Jenekhe, Samson A.; Li, Haiyan; Earmme, Taeshik; Ren, Guoqiang

    2017-11-07

    Non-fullerene electron acceptors for highly efficient organic photovoltaic devices are described. The non-fullerene electron acceptors have an extended, rigid, .pi.-conjugated electron-deficient framework that can facilitate exciton and charge derealization. The non-fullerene electron acceptors can physically mix with a donor polymer and facilitate improved electron transport. The non-fullerene electron acceptors can be incorporated into organic electronic devices, such as photovoltaic cells.

  11. Poster - Thur Eve - 29: Detecting changes in IMRT QA using statistical process control.

    Science.gov (United States)

    Drever, L; Salomons, G

    2012-07-01

    Statistical process control (SPC) methods were used to analyze 239 measurement based individual IMRT QA events. The selected IMRT QA events were all head and neck (H&N) cases with 70Gy in 35 fractions, and all prostate cases with 76Gy in 38 fractions planned between March 2009 and 2012. The results were used to determine if the tolerance limits currently being used for IMRT QA were able to indicate if the process was under control. The SPC calculations were repeated for IMRT QA of the same type of cases that were planned after the treatment planning system was upgraded from Eclipse version 8.1.18 to version 10.0.39. The initial tolerance limits were found to be acceptable for two of the three metrics tested prior to the upgrade. After the upgrade to the treatment planning system the SPC analysis found that the a priori limits were no longer capable of indicating control for 2 of the 3 metrics analyzed. The changes in the IMRT QA results were clearly identified using SPC, indicating that it is a useful tool for finding changes in the IMRT QA process. Routine application of SPC to IMRT QA results would help to distinguish unintentional trends and changes from the random variation in the IMRT QA results for individual plans. © 2012 American Association of Physicists in Medicine.

  12. Graded approach for establishment of QA requirements for Type B packaging of radioactive material

    International Nuclear Information System (INIS)

    Fabian, R.R.; Woodruff, K.C.

    1988-01-01

    A study that was conducted by the Nuclear Regulatory Commission for the U.S. Congress to assess the effectiveness of quality assurance (QA) activities has demonstrated a need to modify and improve the application of QA requirements for the nuclear industry. As a result, the packaging community, along with the nuclear industry as a whole, has taken action to increase the efficacy of the QA function. The results of the study indicate that a graded approach for establishing QA requirements is the preferred method. The essence of the graded approach is the establishment of applicable QA requirements to an extent consistent with the importance to safety of an item, component, system, or activity. This paper describes the process that is used to develop the graded approach for QA requirements pertaining to Type B packaging

  13. Improvement of QA/QC activities in the construction of nuclear power plant

    International Nuclear Information System (INIS)

    Jinji Tomita; Shigetaka Tomaru

    1987-01-01

    Construction of commercial nuclear power plants in Japan started at around 1965. In this presentation are described quality assurance (QA) activities of a plant supplier who is a manufacturer of the key components as well. The QA activities until now are divided into several periods of the construction history in Japan. First term is 1960's when the QA activities are featured as the study and implementation through the construction of imported plants. Since then technologies and procedures of our own have been established and improved for the construction of high reliability plants. Our present QA activities are based on the active reflection of those lessons learned of past experiences. (author)

  14. Quinone-Enriched Gold Nanoparticles in Bioelectrochemistry and Charge Storage

    DEFF Research Database (Denmark)

    Wagner, Michal; Qvortrup, Katrine; Tanner, David Ackland

    for merging gold nanoparticles with resultant anthraquinones include one-pot microwave assisted synthesis or after-mixing of separately prepared gold nanoparticles with selected compounds. The quinone-enriched gold nanoparticles can be transferred onto different electrode surfaces, thus enabling facile...

  15. QA in the design and fabrication of the TMI-2 rail cask

    International Nuclear Information System (INIS)

    Hayes, G.R.

    1988-01-01

    EGandG Idaho, Inc., acting on behalf of the US Department of Energy, is responsible for transporting core debris from Three Mile Island-Unit 2 to the Idaho National Engineering Laboratory. Transportation of the debris is being accomplished using an NRC licensed container, called the NuPac 125-B. This paper describes the NuPac 125-B Rail Cask and the quality assurance (QA) requirements for that system. Also discussed are the QA roles of the various organizations involved in designing, building, inspecting and testing the NuPac 125-B. The paper presents QA/QC systems implemented during the design, procurement, and fabrication of the cask to assure compliance with all applicable technical codes, standards and regulations. It also goes beyond the requirements aspect and describes unique QA/QC measures employed to assure that the cask was built with minimum QA problems. Finally, the lessons learned from the NuPac 125-B project is discussed. 4 refs., 4 figs

  16. Identification of Carotenoids and Isoprenoid Quinones from Asaia lannensis and Asaia bogorensis

    Directory of Open Access Journals (Sweden)

    Hubert Antolak

    2017-09-01

    Full Text Available The aim of the study was to identify and quantitatively assess of carotenoids and isoprenoid quinones biosynthesized by six different strains of acetic acid bacteria, belonging to genus Asaia, that are common beverage-spoiling bacteria in Europe. Bacterial cultures were conducted in a laboratory liquid culture minimal medium with 2% sucrose. Carotenoids and isoprenoid quinones were investigated using UHPLC-DAD-ESI-MS analysis. In general, tested strains of Asaia spp. were able to produce 10 carotenoids and 3 isoprenoid quinones: menaquinone-7, menaquinone-8, and ubiquinone-10. The main identified carotenoids in Asaia lannensis strains were phytofluene, neurosporene, α-carotene, while for Asaia bogorensis, neurosporene, canthaxanthin, and zeaxanthin were noted. What is more, tested Asaia spp. were able to produce myxoxanthophyll, which has so far been identified primarily in cyanobacteria. The results show that A. lannensis are characterized by statistically higher concentrations of produced carotenoids, as well as a greater variety of these compounds. We have noted that carotenoids were not only accumulated by bacterial cells, but also some strains of A. lannensis produced extracellular carotenoids.

  17. THE IMPORTANCE OF A SUCCESSFUL QUALITY ASSURANCE (QA) PROGRAM FROM A RESEARCH MANAGER'S PERSPECTIVE

    Science.gov (United States)

    The paper discusses the Air Pollution Prevention and Control Division's Quality Assurance (QA) program and the approaches used to meet QA requirements in the Division. The presentation is a technical manager's perspective of the Division's requirements for and approach to QA in i...

  18. Computational design of molecules for an all-quinone redox flow battery† †Electronic supplementary information (ESI) available: The list of computationally predicted candidate quinone molecules with interesting redox properties. See DOI: 10.1039/c4sc03030c Click here for additional data file.

    Science.gov (United States)

    Er, Süleyman; Suh, Changwon; Marshak, Michael P.

    2015-01-01

    Inspired by the electron transfer properties of quinones in biological systems, we recently showed that quinones are also very promising electroactive materials for stationary energy storage applications. Due to the practically infinite chemical space of organic molecules, the discovery of additional quinones or other redox-active organic molecules for energy storage applications is an open field of inquiry. Here, we introduce a high-throughput computational screening approach that we applied to an accelerated study of a total of 1710 quinone (Q) and hydroquinone (QH2) (i.e., two-electron two-proton) redox couples. We identified the promising candidates for both the negative and positive sides of organic-based aqueous flow batteries, thus enabling an all-quinone battery. To further aid the development of additional interesting electroactive small molecules we also provide emerging quantitative structure-property relationships. PMID:29560173

  19. Toxicity to sea urchin egg development of the quinone fraction obtained from Auxemma oncocalyx

    Directory of Open Access Journals (Sweden)

    Costa-Lotufo L.V.

    2002-01-01

    Full Text Available Auxemma oncocalyx Taub. belongs to the Boraginaceae family and is native to the Brazilian northeast where it is known as "pau-branco". We investigated the ability of the water soluble fraction isolated from the heartwood of A. oncocalyx to inhibit sea urchin egg development. This fraction contains about 80% oncocalyxone A (quinone fraction, a compound known to possess strong cytotoxic and antitumor activities. In fact, the quinone fraction inhibited cleavage in a dose-dependent manner [IC50 of 18.4 (12.4-27.2 µg/ml, N = 6], and destroyed the embryos in the blastula stage [IC50 of 16.2 (13.7-19.2 µg/ml, N = 6]. We suggest that this activity is due to the presence of oncocalyxone A. In fact, these quinones present in A. oncocalyx extract have strong toxicity related to their antimitotic activity.

  20. Photo-bleaching of polymer discoloration caused by quinone methides

    Czech Academy of Sciences Publication Activity Database

    Pospíšil, Jan; Nešpůrek, Stanislav; Zweifel, H.; Kuthan, J.

    2002-01-01

    Roč. 78, č. 2 (2002), s. 251-255 ISSN 0141-3910 R&D Projects: GA AV ČR IAA1050901 Institutional research plan: CEZ:AV0Z4050913 Keywords : quinone methide * photo- bleaching * polymer discoloration Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.145, year: 2002

  1. WE-PIS-Exhibit Hall-01: Tools for TG-142 Linac Imaging QA II

    Energy Technology Data Exchange (ETDEWEB)

    Childress, N [Mobius Medical Management, LLC,, Houston, TX (United States); Murray, B [ZapIT Medical, Dublin, OH (Ireland)

    2014-06-15

    Partners in Solutions is an exciting new program in which AAPM partners with our vendors to present practical “hands-on” information about the equipment and software systems that we use in our clinics. The therapy topic this year is solutions for TG-142 recommendations for linear accelerator imaging QA. Note that the sessions are being held in a special purpose room built on the Exhibit Hall Floor, to encourage further interaction with the vendors. Using DoseLab to Perform TG-142 Imaging QA The goals of this session will be to present a clinical overview of acquiring images for TG-142 Imaging QA, as well as analyzing and evaluating results using DoseLab software. DoseLab supports planar imaging QA analysis using almost any QA phantom provided by numerous vendors. General advantages and disadvantages of selecting each of these phantoms will be briefly summarized. Best practices for selecting image acquisition parameters will be presented. A demonstration of using DoseLab software to perform a series of TG-142 tests will be performed. We will disuss why DoseLab uses its own set of imaging QA formulas, and why imaging QA measurement values of the same nominal properties will vary between TG- 142 software packages. Because TG-142 does not specify baseline and tolerance values for imaging QA, the presentation will recommend performing the manufacturer's acceptance test procedure to validate the equipment is functioning correctly. Afterwards, results can be obtained using the clinic's selected set of phantoms, image acquisition parameters, and TG-142 software to set proper baseline values. This presentation will highlight the reasons why comparing imaging QA results can be trickier than comparing linear accelerator treatment results and what physicists should keep in mind when comparing imaging QA results for different machines. Physicists are often unsure of the next step when there is an issue discovered during Imaging QA. Therefore, a few common examples

  2. WE-PIS-Exhibit Hall-01: Tools for TG-142 Linac Imaging QA II

    International Nuclear Information System (INIS)

    Childress, N; Murray, B

    2014-01-01

    Partners in Solutions is an exciting new program in which AAPM partners with our vendors to present practical “hands-on” information about the equipment and software systems that we use in our clinics. The therapy topic this year is solutions for TG-142 recommendations for linear accelerator imaging QA. Note that the sessions are being held in a special purpose room built on the Exhibit Hall Floor, to encourage further interaction with the vendors. Using DoseLab to Perform TG-142 Imaging QA The goals of this session will be to present a clinical overview of acquiring images for TG-142 Imaging QA, as well as analyzing and evaluating results using DoseLab software. DoseLab supports planar imaging QA analysis using almost any QA phantom provided by numerous vendors. General advantages and disadvantages of selecting each of these phantoms will be briefly summarized. Best practices for selecting image acquisition parameters will be presented. A demonstration of using DoseLab software to perform a series of TG-142 tests will be performed. We will disuss why DoseLab uses its own set of imaging QA formulas, and why imaging QA measurement values of the same nominal properties will vary between TG- 142 software packages. Because TG-142 does not specify baseline and tolerance values for imaging QA, the presentation will recommend performing the manufacturer's acceptance test procedure to validate the equipment is functioning correctly. Afterwards, results can be obtained using the clinic's selected set of phantoms, image acquisition parameters, and TG-142 software to set proper baseline values. This presentation will highlight the reasons why comparing imaging QA results can be trickier than comparing linear accelerator treatment results and what physicists should keep in mind when comparing imaging QA results for different machines. Physicists are often unsure of the next step when there is an issue discovered during Imaging QA. Therefore, a few common examples

  3. Alkyl Radicals as Hydrogen Bond Acceptors: Computational Evidence

    DEFF Research Database (Denmark)

    Hammerum, Steen

    2009-01-01

    Spectroscopic, energetic and structural information obtained by DFT and G3-type computational studies demonstrates that charged proton donors can form moderately strong hydrogen bonds to simple alkyl radicals. The presence of these bonds stabilizes the adducts and modifies their structure......, and gives rise to pronounced shifts of IR stretching frequencies and to increased absorption intensities. The hydrogen bond acceptor properties of alkyl radicals equal those of many conventional acceptors, e.g., the bond length changes and IR red-shifts suggest that tert-butyl radicals are slightly better...... acceptors than formaldehyde molecules, while propyl radicals are as good as H2O. The hydrogen bond strength appears to depend on the proton affinity of the proton donor and on the ionization energy of the acceptor alkyl radical, not on the donor-acceptor proton affinity difference, reflecting...

  4. WE-G-BRA-02: SafetyNet: Automating Radiotherapy QA with An Event Driven Framework

    International Nuclear Information System (INIS)

    Hadley, S; Kessler, M; Litzenberg, D; Lee, C; Irrer, J; Chen, X; Acosta, E; Weyburne, G; Lam, K; Younge, K; Matuszak, M; Keranen, W; Covington, E; Moran, J

    2015-01-01

    Purpose: Quality assurance is an essential task in radiotherapy that often requires many manual tasks. We investigate the use of an event driven framework in conjunction with software agents to automate QA and eliminate wait times. Methods: An in house developed subscription-publication service, EventNet, was added to the Aria OIS to be a message broker for critical events occurring in the OIS and software agents. Software agents operate without user intervention and perform critical QA steps. The results of the QA are documented and the resulting event is generated and passed back to EventNet. Users can subscribe to those events and receive messages based on custom filters designed to send passing or failing results to physicists or dosimetrists. Agents were developed to expedite the following QA tasks: Plan Revision, Plan 2nd Check, SRS Winston-Lutz isocenter, Treatment History Audit, Treatment Machine Configuration. Results: Plan approval in the Aria OIS was used as the event trigger for plan revision QA and Plan 2nd check agents. The agents pulled the plan data, executed the prescribed QA, stored the results and updated EventNet for publication. The Winston Lutz agent reduced QA time from 20 minutes to 4 minutes and provided a more accurate quantitative estimate of radiation isocenter. The Treatment Machine Configuration agent automatically reports any changes to the Treatment machine or HDR unit configuration. The agents are reliable, act immediately, and execute each task identically every time. Conclusion: An event driven framework has inverted the data chase in our radiotherapy QA process. Rather than have dosimetrists and physicists push data to QA software and pull results back into the OIS, the software agents perform these steps immediately upon receiving the sentinel events from EventNet. Mr Keranen is an employee of Varian Medical Systems. Dr. Moran’s institution receives research support for her effort for a linear accelerator QA project from

  5. WE-G-BRA-02: SafetyNet: Automating Radiotherapy QA with An Event Driven Framework

    Energy Technology Data Exchange (ETDEWEB)

    Hadley, S; Kessler, M [The University of Michigan, Ann Arbor, MI (United States); Litzenberg, D [Univ Michigan, Ann Arbor, MI (United States); Lee, C; Irrer, J; Chen, X; Acosta, E; Weyburne, G; Lam, K; Younge, K; Matuszak, M [University of Michigan, Ann Arbor, MI (United States); Keranen, W [Varian Medical Systems, Palo Alto, CA (United States); Covington, E [University of Michigan Hospital and Health System, Ann Arbor, MI (United States); Moran, J [Univ Michigan Medical Center, Ann Arbor, MI (United States)

    2015-06-15

    Purpose: Quality assurance is an essential task in radiotherapy that often requires many manual tasks. We investigate the use of an event driven framework in conjunction with software agents to automate QA and eliminate wait times. Methods: An in house developed subscription-publication service, EventNet, was added to the Aria OIS to be a message broker for critical events occurring in the OIS and software agents. Software agents operate without user intervention and perform critical QA steps. The results of the QA are documented and the resulting event is generated and passed back to EventNet. Users can subscribe to those events and receive messages based on custom filters designed to send passing or failing results to physicists or dosimetrists. Agents were developed to expedite the following QA tasks: Plan Revision, Plan 2nd Check, SRS Winston-Lutz isocenter, Treatment History Audit, Treatment Machine Configuration. Results: Plan approval in the Aria OIS was used as the event trigger for plan revision QA and Plan 2nd check agents. The agents pulled the plan data, executed the prescribed QA, stored the results and updated EventNet for publication. The Winston Lutz agent reduced QA time from 20 minutes to 4 minutes and provided a more accurate quantitative estimate of radiation isocenter. The Treatment Machine Configuration agent automatically reports any changes to the Treatment machine or HDR unit configuration. The agents are reliable, act immediately, and execute each task identically every time. Conclusion: An event driven framework has inverted the data chase in our radiotherapy QA process. Rather than have dosimetrists and physicists push data to QA software and pull results back into the OIS, the software agents perform these steps immediately upon receiving the sentinel events from EventNet. Mr Keranen is an employee of Varian Medical Systems. Dr. Moran’s institution receives research support for her effort for a linear accelerator QA project from

  6. IMRT QA using machine learning: A multi-institutional validation.

    Science.gov (United States)

    Valdes, Gilmer; Chan, Maria F; Lim, Seng Boh; Scheuermann, Ryan; Deasy, Joseph O; Solberg, Timothy D

    2017-09-01

    To validate a machine learning approach to Virtual intensity-modulated radiation therapy (IMRT) quality assurance (QA) for accurately predicting gamma passing rates using different measurement approaches at different institutions. A Virtual IMRT QA framework was previously developed using a machine learning algorithm based on 498 IMRT plans, in which QA measurements were performed using diode-array detectors and a 3%local/3 mm with 10% threshold at Institution 1. An independent set of 139 IMRT measurements from a different institution, Institution 2, with QA data based on portal dosimetry using the same gamma index, was used to test the mathematical framework. Only pixels with ≥10% of the maximum calibrated units (CU) or dose were included in the comparison. Plans were characterized by 90 different complexity metrics. A weighted poison regression with Lasso regularization was trained to predict passing rates using the complexity metrics as input. The methodology predicted passing rates within 3% accuracy for all composite plans measured using diode-array detectors at Institution 1, and within 3.5% for 120 of 139 plans using portal dosimetry measurements performed on a per-beam basis at Institution 2. The remaining measurements (19) had large areas of low CU, where portal dosimetry has a larger disagreement with the calculated dose and as such, the failure was expected. These beams need further modeling in the treatment planning system to correct the under-response in low-dose regions. Important features selected by Lasso to predict gamma passing rates were as follows: complete irradiated area outline (CIAO), jaw position, fraction of MLC leafs with gaps smaller than 20 or 5 mm, fraction of area receiving less than 50% of the total CU, fraction of the area receiving dose from penumbra, weighted average irregularity factor, and duty cycle. We have demonstrated that Virtual IMRT QA can predict passing rates using different measurement techniques and across multiple

  7. Technical Note: Response time evolution of XR-QA2 GafChromic™ film models.

    Science.gov (United States)

    Aldelaijan, Saad; Tomic, Nada; Papaconstadopoulos, Pavlos; Schneider, James; Seuntjens, Jan; Shih, Shelley; Lewis, David; Devic, Slobodan

    2018-01-01

    To evaluate the response of the newest XR-QA2 GafChromic™ film model in terms of postexposure signal growth and energy response in comparison with the older XR-QA (Version 2) model. Pieces of film were irradiated to air kerma in air values up to 12 cGy with several beam qualities (5.3-8.25 mm Al) commonly used for CT scanning. Film response was scored in terms of net reflectance from scanned film images at various points in time postirradiation ranging from 1 to 7 days and 5 months postexposure. To reconstruct the measurement signal changes with postirradiation delay, we irradiated one film piece and then scanned it at different point times starting from 2" min and up to 3 days postexposure. For all beam qualities and dose range investigated, it appears that the XR-QA2 film signal completely saturated after 15 h. Compared to 15 h postirradiation scanning time, the observed variation in net reflectance were 3%, 2%, and 1% for film scanned 2" min, 20 min, and 3 h after exposure, respectively, which is well within the measurement uncertainty of the XR-QA2 based reference radiochromic film dosimetry system. A comparison between the XR-QA (Version 2) and the XR-QA2 film response after several months (relative to their responses after 24 h) show differences in up to 8% and 1% for each film model respectively. The replacement of cesium bromide in the older XR-QA (Version 2) film model with bismuth oxide in the newer XR-QA2 film, while keeping the same single sensitive layer structure, lead to a significantly more stable postexposure response. © 2017 American Association of Physicists in Medicine.

  8. Multimodal follow-up questions to multimodal answers in a QA system

    NARCIS (Netherlands)

    van Schooten, B.W.; op den Akker, Hendrikus J.A.

    2007-01-01

    We are developing a dialogue manager (DM) for a multimodal interactive Question Answering (QA) system. Our QA system presents answers using text and pictures, and the user may pose follow-up questions using text or speech, while indicating screen elements with the mouse. We developed a corpus of

  9. Per-beam, planar IMRT QA passing rates do not predict clinically relevant patient dose errors

    International Nuclear Information System (INIS)

    Nelms, Benjamin E.; Zhen Heming; Tome, Wolfgang A.

    2011-01-01

    Purpose: The purpose of this work is to determine the statistical correlation between per-beam, planar IMRT QA passing rates and several clinically relevant, anatomy-based dose errors for per-patient IMRT QA. The intent is to assess the predictive power of a common conventional IMRT QA performance metric, the Gamma passing rate per beam. Methods: Ninety-six unique data sets were created by inducing four types of dose errors in 24 clinical head and neck IMRT plans, each planned with 6 MV Varian 120-leaf MLC linear accelerators using a commercial treatment planning system and step-and-shoot delivery. The error-free beams/plans were used as ''simulated measurements'' (for generating the IMRT QA dose planes and the anatomy dose metrics) to compare to the corresponding data calculated by the error-induced plans. The degree of the induced errors was tuned to mimic IMRT QA passing rates that are commonly achieved using conventional methods. Results: Analysis of clinical metrics (parotid mean doses, spinal cord max and D1cc, CTV D95, and larynx mean) vs IMRT QA Gamma analysis (3%/3 mm, 2/2, 1/1) showed that in all cases, there were only weak to moderate correlations (range of Pearson's r-values: -0.295 to 0.653). Moreover, the moderate correlations actually had positive Pearson's r-values (i.e., clinically relevant metric differences increased with increasing IMRT QA passing rate), indicating that some of the largest anatomy-based dose differences occurred in the cases of high IMRT QA passing rates, which may be called ''false negatives.'' The results also show numerous instances of false positives or cases where low IMRT QA passing rates do not imply large errors in anatomy dose metrics. In none of the cases was there correlation consistent with high predictive power of planar IMRT passing rates, i.e., in none of the cases did high IMRT QA Gamma passing rates predict low errors in anatomy dose metrics or vice versa. Conclusions: There is a lack of correlation between

  10. Application of QA to R ampersand D support of HLW programs

    International Nuclear Information System (INIS)

    Ryder, D.E.

    1988-01-01

    Quality has always been of primary importance in the research and development (R ampersand D) environment. An organization's ability to attract funds for new or continued research is largely dependent on the quality of past performance. However, with the possible exceptions of peer reviews for fund allocation and the referee process prior to publication, past quality assurance (QA) activities were primarily informal good practices. This resulted in standards of acceptable practice that varied from organization to organization. The increasing complexity of R ampersand D projects and the increasing need for project results to be upheld outside the scientific community (i.e., lawsuits and licensing hearings) are encouraging R ampersand D organizations and their clients to adopt more formalized methods for the scientific process and to increase control over support organizations (i.e., suppliers and subcontractors). This has become especially true for R ampersand D organizations involved in the high-level (HLW) projects for a number of years. The PNL began to implement QA program requirements within a few HLW repository preliminary studies in 1978. In 1985, PNL developed a comprehensive QA program for R ampersand D activities in support of two of the proposed repository projects. This QA program was developed by the PNL QA department with a significant amount of support assistance and guidance from PNL upper management, the Basalt Waste Isolation Project (BWIP), and the Salt Repository Program Office (SPRO). The QA program has been revised to add a three-level feature and is currently being implemented on projects sponsored by the Office of Geologic Repositories (DOE/OGR), Repository Technology Program (DOE-CH), Nevada Nuclear Waste Storage Investigation (NNWSI) Project, and other HLW projects

  11. TU-C-BRE-01: KEYNOTE PRESENTATION - Emerging Frontiers in IMRT QA

    Energy Technology Data Exchange (ETDEWEB)

    Siebers, J [University of Virginia Health System, Charlottesville, VA (United States)

    2014-06-15

    As IMRT treatment processes advance and mature, so must the quality assurance processes being used to validate their delivery. In some respects, treatment delivery advancements (e.g. VMAT) have out-paced QA advancements. The purpose of this session is to describe new processes that are being implemented to bring IMRT QA up-to-date with the treatment delivery advances. It would explore emerging IMRT QA paradigms, including requirements-based IMRT QA which necessitates definition of delivery errors (e.g. patient dose error, leaf positioning error) and development of processes to ensure reliable error detection. Engineeringbased QA approaches, including use of IMRT treatment delivery process trees, fault tree analysis and failure modes effects analysis would be described. Approaches to detect errors such as (1) during treatment delivery validation using exit fluence detectors (e.g. EPIDs); (2) analysis of treatment delivery via use of machine parameter log files; (3) dose recalculation using (3a) treatment planning system; (3b) record-and-verify; or (3c) entrance and exit fluence measurement parameters would be explained. The relative advantages and disadvantages of each method would be discussed. Schemes for error classification and root cause analysis would be described – steps which are essential for future error prevention. For each QA method, testing procedures and results would be presented indicating the types of errors that can be detected, those that cannot be detected, and the reliability of the error detection method (for example determined via ROC analysis). For speakers, we are seeking to engage non-commercially biased experts. Those listed below are a sub-sample of possible qualified individuals.

  12. TU-C-BRE-01: KEYNOTE PRESENTATION - Emerging Frontiers in IMRT QA

    International Nuclear Information System (INIS)

    Siebers, J

    2014-01-01

    As IMRT treatment processes advance and mature, so must the quality assurance processes being used to validate their delivery. In some respects, treatment delivery advancements (e.g. VMAT) have out-paced QA advancements. The purpose of this session is to describe new processes that are being implemented to bring IMRT QA up-to-date with the treatment delivery advances. It would explore emerging IMRT QA paradigms, including requirements-based IMRT QA which necessitates definition of delivery errors (e.g. patient dose error, leaf positioning error) and development of processes to ensure reliable error detection. Engineeringbased QA approaches, including use of IMRT treatment delivery process trees, fault tree analysis and failure modes effects analysis would be described. Approaches to detect errors such as (1) during treatment delivery validation using exit fluence detectors (e.g. EPIDs); (2) analysis of treatment delivery via use of machine parameter log files; (3) dose recalculation using (3a) treatment planning system; (3b) record-and-verify; or (3c) entrance and exit fluence measurement parameters would be explained. The relative advantages and disadvantages of each method would be discussed. Schemes for error classification and root cause analysis would be described – steps which are essential for future error prevention. For each QA method, testing procedures and results would be presented indicating the types of errors that can be detected, those that cannot be detected, and the reliability of the error detection method (for example determined via ROC analysis). For speakers, we are seeking to engage non-commercially biased experts. Those listed below are a sub-sample of possible qualified individuals

  13. Tolerance design of patient-specific range QA using the DMAIC framework in proton therapy.

    Science.gov (United States)

    Rah, Jeong-Eun; Shin, Dongho; Manger, Ryan P; Kim, Tae Hyun; Oh, Do Hoon; Kim, Dae Yong; Kim, Gwe-Ya

    2018-02-01

    To implement the DMAIC (Define-Measure-Analyze-Improve-Control) can be used for customizing the patient-specific QA by designing site-specific range tolerances. The DMAIC framework (process flow diagram, cause and effect, Pareto chart, control chart, and capability analysis) were utilized to determine the steps that need focus for improving the patient-specific QA. The patient-specific range QA plans were selected according to seven treatment site groups, a total of 1437 cases. The process capability index, C pm was used to guide the tolerance design of patient site-specific range. For prostate field, our results suggested that the patient range measurements were capable at the current tolerance level of ±1 mm in clinical proton plans. For other site-specific ranges, we analyzed that the tolerance tends to be overdesigned to insufficient process capability calculated by the patient-specific QA data. The customized tolerances were calculated for treatment sites. Control charts were constructed to simulate the patient QA time before and after the new tolerances were implemented. It is found that the total simulation QA time was decreased on average of approximately 20% after establishing new site-specific range tolerances. We simulated the financial impact of this project. The QA failure for whole process in proton therapy would lead up to approximately 30% increase in total cost. DMAIC framework can be used to provide an effective QA by setting customized tolerances. When tolerance design is customized, the quality is reasonably balanced with time and cost demands. © 2017 American Association of Physicists in Medicine.

  14. Impact and payback of a QA/QC program for steam-water chemistry

    International Nuclear Information System (INIS)

    Lerman, S.I.; Wilson, D.

    1992-01-01

    QA/QC programs for analytical laboratories and in-line instrumentation are essential if we are to have any faith in the data they produce. When the analytes are at trace levels, as they frequently are in a steam-water cycle, the importance of QA/QC increases by an order of magnitude. The cost and resources of such a program, although worth it, are frequently underestimated. QA/QC is much more than running a standard several times a week. This paper will discuss some of the essential elements of such a program, compare them to the cost, and point out the impact of not having such a program. RP-2712-3 showed how essential QA/QC is to understand the limitations of instruments doing trace analysis of water. What it did not do, nor was it intended to, is discuss how good reliability can be in your own plant. QA programs that include training of personnel, written procedures, and comprehensive maintenance and inventory programs ensure optimum performance of chemical monitors. QC samples run regularly allow plant personnel to respond to poor performance in a timely manner, appropriate to plant demands. Proper data management establishes precision information necessary to determine how good our measurements are. Generally, the plant has the advantage of a central laboratory to perform corroborative analysis, and a comprehensive QA/QC program will integrate the plant monitoring operations with the central lab. Where trace analysis is concerned, attention to detail becomes paramount. Instrument performance may be below expected levels, and instruments are probably being run at the bottom end of their optimum range. Without QA/QC the plant manager can have no confidence in analytical results. Poor steam-water chemistry can go unnoticed, causing system deterioration. We can't afford to wait for another RP-2712-3 to tell us how good our data is

  15. Process control analysis of IMRT QA: implications for clinical trials

    International Nuclear Information System (INIS)

    Pawlicki, Todd; Rice, Roger K; Yoo, Sua; Court, Laurence E; McMillan, Sharon K; Russell, J Donald; Pacyniak, John M; Woo, Milton K; Basran, Parminder S; Boyer, Arthur L; Bonilla, Claribel

    2008-01-01

    The purpose of this study is two-fold: first is to investigate the process of IMRT QA using control charts and second is to compare control chart limits to limits calculated using the standard deviation (σ). Head and neck and prostate IMRT QA cases from seven institutions in both academic and community settings are considered. The percent difference between the point dose measurement in phantom and the corresponding result from the treatment planning system (TPS) is used for analysis. The average of the percent difference calculations defines the accuracy of the process and is called the process target. This represents the degree to which the process meets the clinical goal of 0% difference between the measurements and TPS. IMRT QA process ability defines the ability of the process to meet clinical specifications (e.g. 5% difference between the measurement and TPS). The process ability is defined in two ways: (1) the half-width of the control chart limits, and (2) the half-width of ±3σ limits. Process performance is characterized as being in one of four possible states that describes the stability of the process and its ability to meet clinical specifications. For the head and neck cases, the average process target across institutions was 0.3% (range: -1.5% to 2.9%). The average process ability using control chart limits was 7.2% (range: 5.3% to 9.8%) compared to 6.7% (range: 5.3% to 8.2%) using standard deviation limits. For the prostate cases, the average process target across the institutions was 0.2% (range: -1.8% to 1.4%). The average process ability using control chart limits was 4.4% (range: 1.3% to 9.4%) compared to 5.3% (range: 2.3% to 9.8%) using standard deviation limits. Using the standard deviation to characterize IMRT QA process performance resulted in processes being preferentially placed in one of the four states. This is in contrast to using control charts for process characterization where the IMRT QA processes were spread over three of the

  16. Barbiturate End-Capped Non-Fullerene Acceptors for Organic Solar Cells: Tuning Acceptor Energetics to Suppress Geminate Recombination Losses

    KAUST Repository

    Tan, Ching-Hong

    2018-01-10

    We report the synthesis of two barbiturate end-capped non-fullerene acceptors and demonstrate their efficient function in high voltage output organic solar cells. The acceptor with the lower LUMO level is shown to exhibit suppressed geminate recombination losses, resulting in enhanced photocurrent generation and higher overall device efficiency.

  17. Barbiturate End-Capped Non-Fullerene Acceptors for Organic Solar Cells: Tuning Acceptor Energetics to Suppress Geminate Recombination Losses

    KAUST Repository

    Tan, Ching-Hong; Gorman, Jeffrey; Wadsworth, Andrew; Holliday, Sarah; Subramaniyan, Selvam; Jenekhe, Samson A.; Baran, Derya; McCulloch, Iain; Durrant, James

    2018-01-01

    We report the synthesis of two barbiturate end-capped non-fullerene acceptors and demonstrate their efficient function in high voltage output organic solar cells. The acceptor with the lower LUMO level is shown to exhibit suppressed geminate recombination losses, resulting in enhanced photocurrent generation and higher overall device efficiency.

  18. Soluble and stable zethrenebis(dicarboximide) and its quinone

    KAUST Repository

    Sun, Zhe

    2010-10-15

    Soluble and stable zethrenebis(dicarboximide) (1) was synthesized by an in situ Stille cross coupling/transannular cyclization reaction. 1 showed largely improved photostability and solubility compared with the very unstable zethrene and it also exhibited far-red absorption and emission with high photoluminescence quantum yield. Bromination of 1 with NBS/DMF gave its quinone form 2 via an unusual pathway. © 2010 American Chemical Society.

  19. Lymphocytes Negatively Regulate NK Cell Activity via Qa-1b following Viral Infection

    Directory of Open Access Journals (Sweden)

    Haifeng C. Xu

    2017-11-01

    Full Text Available NK cells can reduce anti-viral T cell immunity during chronic viral infections, including infection with the lymphocytic choriomeningitis virus (LCMV. However, regulating factors that maintain the equilibrium between productive T cell and NK cell immunity are poorly understood. Here, we show that a large viral load resulted in inhibition of NK cell activation, which correlated with increased expression of Qa-1b, a ligand for inhibitory NK cell receptors. Qa-1b was predominantly upregulated on B cells following LCMV infection, and this upregulation was dependent on type I interferons. Absence of Qa-1b resulted in increased NK cell-mediated regulation of anti-viral T cells following viral infection. Consequently, anti-viral T cell immunity was reduced in Qa-1b- and NKG2A-deficient mice, resulting in increased viral replication and immunopathology. NK cell depletion restored anti-viral immunity and virus control in the absence of Qa-1b. Taken together, our findings indicate that lymphocytes limit NK cell activity during viral infection in order to promote anti-viral T cell immunity.

  20. Per-beam, planar IMRT QA passing rates do not predict clinically relevant patient dose errors

    Energy Technology Data Exchange (ETDEWEB)

    Nelms, Benjamin E.; Zhen Heming; Tome, Wolfgang A. [Canis Lupus LLC and Department of Human Oncology, University of Wisconsin, Merrimac, Wisconsin 53561 (United States); Department of Medical Physics, University of Wisconsin, Madison, Wisconsin 53705 (United States); Departments of Human Oncology, Medical Physics, and Biomedical Engineering, University of Wisconsin, Madison, Wisconsin 53792 (United States)

    2011-02-15

    Purpose: The purpose of this work is to determine the statistical correlation between per-beam, planar IMRT QA passing rates and several clinically relevant, anatomy-based dose errors for per-patient IMRT QA. The intent is to assess the predictive power of a common conventional IMRT QA performance metric, the Gamma passing rate per beam. Methods: Ninety-six unique data sets were created by inducing four types of dose errors in 24 clinical head and neck IMRT plans, each planned with 6 MV Varian 120-leaf MLC linear accelerators using a commercial treatment planning system and step-and-shoot delivery. The error-free beams/plans were used as ''simulated measurements'' (for generating the IMRT QA dose planes and the anatomy dose metrics) to compare to the corresponding data calculated by the error-induced plans. The degree of the induced errors was tuned to mimic IMRT QA passing rates that are commonly achieved using conventional methods. Results: Analysis of clinical metrics (parotid mean doses, spinal cord max and D1cc, CTV D95, and larynx mean) vs IMRT QA Gamma analysis (3%/3 mm, 2/2, 1/1) showed that in all cases, there were only weak to moderate correlations (range of Pearson's r-values: -0.295 to 0.653). Moreover, the moderate correlations actually had positive Pearson's r-values (i.e., clinically relevant metric differences increased with increasing IMRT QA passing rate), indicating that some of the largest anatomy-based dose differences occurred in the cases of high IMRT QA passing rates, which may be called ''false negatives.'' The results also show numerous instances of false positives or cases where low IMRT QA passing rates do not imply large errors in anatomy dose metrics. In none of the cases was there correlation consistent with high predictive power of planar IMRT passing rates, i.e., in none of the cases did high IMRT QA Gamma passing rates predict low errors in anatomy dose metrics or vice versa

  1. WE-AB-201-03: TPS Commissioning and QA: Incorporating the Entire Planning Process

    International Nuclear Information System (INIS)

    Mutic, S.

    2015-01-01

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  2. WE-AB-201-01: Treatment Planning System Commissioning and QA: Challenges and Opportunities

    International Nuclear Information System (INIS)

    Salomons, G.

    2015-01-01

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  3. WE-AB-201-01: Treatment Planning System Commissioning and QA: Challenges and Opportunities

    Energy Technology Data Exchange (ETDEWEB)

    Salomons, G. [Cancer Center of Southeastern Ontario (Canada)

    2015-06-15

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  4. WE-AB-201-03: TPS Commissioning and QA: Incorporating the Entire Planning Process

    Energy Technology Data Exchange (ETDEWEB)

    Mutic, S. [Washington University School of Medicine (United States)

    2015-06-15

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  5. SU-E-T-468: Implementation of the TG-142 QA Process for Seven Linacs with Enhanced Beam Conformance

    Energy Technology Data Exchange (ETDEWEB)

    Woollard, J; Ayan, A; DiCostanzo, D; Grzetic, S; Hessler, J; Gupta, N [OH State University, Columbus, OH (United States)

    2015-06-15

    Purpose: To develop a TG-142 compliant QA process for 7 Varian TrueBeam linear accelerators (linacs) with enhanced beam conformance and dosimetrically matched beam models. To ensure consistent performance of all 7 linacs, the QA process should include a common set of baseline values for use in routine QA on all linacs. Methods: The TG 142 report provides recommended tests, tolerances and frequencies for quality assurance of medical accelerators. Based on the guidance provided in the report, measurement tests were developed to evaluate each of the applicable parameters listed for daily, monthly and annual QA. These tests were then performed on each of our 7 new linacs as they came on line at our institution. Results: The tolerance values specified in TG-142 for each QA test are either absolute tolerances (i.e. ±2mm) or require a comparison to a baseline value. The results of our QA tests were first used to ensure that all 7 linacs were operating within the suggested tolerance values provided in TG −142 for those tests with absolute tolerances and that the performance of the linacs was adequately matched. The QA test results were then used to develop a set of common baseline values for those QA tests that require comparison to a baseline value at routine monthly and annual QA. The procedures and baseline values were incorporated into a spreadsheets for use in monthly and annual QA. Conclusion: We have developed a set of procedures for daily, monthly and annual QA of our linacs that are consistent with the TG-142 report. A common set of baseline values was developed for routine QA tests. The use of this common set of baseline values for comparison at monthly and annual QA will ensure consistent performance of all 7 linacs.

  6. SU-E-T-468: Implementation of the TG-142 QA Process for Seven Linacs with Enhanced Beam Conformance

    International Nuclear Information System (INIS)

    Woollard, J; Ayan, A; DiCostanzo, D; Grzetic, S; Hessler, J; Gupta, N

    2015-01-01

    Purpose: To develop a TG-142 compliant QA process for 7 Varian TrueBeam linear accelerators (linacs) with enhanced beam conformance and dosimetrically matched beam models. To ensure consistent performance of all 7 linacs, the QA process should include a common set of baseline values for use in routine QA on all linacs. Methods: The TG 142 report provides recommended tests, tolerances and frequencies for quality assurance of medical accelerators. Based on the guidance provided in the report, measurement tests were developed to evaluate each of the applicable parameters listed for daily, monthly and annual QA. These tests were then performed on each of our 7 new linacs as they came on line at our institution. Results: The tolerance values specified in TG-142 for each QA test are either absolute tolerances (i.e. ±2mm) or require a comparison to a baseline value. The results of our QA tests were first used to ensure that all 7 linacs were operating within the suggested tolerance values provided in TG −142 for those tests with absolute tolerances and that the performance of the linacs was adequately matched. The QA test results were then used to develop a set of common baseline values for those QA tests that require comparison to a baseline value at routine monthly and annual QA. The procedures and baseline values were incorporated into a spreadsheets for use in monthly and annual QA. Conclusion: We have developed a set of procedures for daily, monthly and annual QA of our linacs that are consistent with the TG-142 report. A common set of baseline values was developed for routine QA tests. The use of this common set of baseline values for comparison at monthly and annual QA will ensure consistent performance of all 7 linacs

  7. Studies on the mechanism of quinone action on hormonal regulation of metabolism in the rat liver

    International Nuclear Information System (INIS)

    Cheng, E.Y.

    1989-01-01

    The mechanism of quinone actions in liver cell metabolism had been investigated using menadione as a model compound. Previous reports suggested that quinones and free radicals could produce perturbations in cellular calcium homeostasis. Since calcium plays an important role in the regulation of cellular metabolic processes, then regulation of cytosolic calcium concentrations, and thus of cellular metabolism, by calcium-mobilizing hormones such as phenylephrine and vasopressin could possibly be modified by quinones such as menadione. Methods used to approach this hypothesis included the assay for activation of glycogen phosphorylase, an indirect index of calcium mobilization; the determination of calcium mobilization with 45 Ca efflux exchange and with fluorescent calcium indicator fura-2; and the measurement of phosphatidylinositides, an important link in the membrane-associated receptor-mediated signal transduction mechanism

  8. SU-F-T-226: QA Management for a Large Institution with Multiple Campuses for FMEA

    Energy Technology Data Exchange (ETDEWEB)

    Tang, G; Chan, M; Lovelock, D; Lim, S; Febo, R; DeLauter, J; Both, S; Li, X; Ma, R; Saleh, Z; Song, Y; Tang, X; Xiong, W; Hunt, M; LoSasso, T [Memorial Sloan Kettering Cancer Center, New York, NY (United States)

    2016-06-15

    Purpose: To redesign our radiation therapy QA program with the goal to improve quality, efficiency, and consistency among a growing number of campuses at a large institution. Methods: A QA committee was established with at least one physicist representing each of our six campuses (22 linacs). Weekly meetings were scheduled to advise on and update current procedures, to review end-to-end and other test results, and to prepare composite reports for internal and external audits. QA procedures for treatment and imaging equipment were derived from TG Reports 142 and 66, practice guidelines, and feedback from ACR evaluations. The committee focused on reaching a consensus on a single QA program among all campuses using the same type of equipment and reference data. Since the recommendations for tolerances referenced to baseline data were subject to interpretation in some instances, the committee reviewed the characteristics of all machines and quantified any variations before choosing between treatment planning system (i.e. treatment planning system commissioning data that is representative for all machines) or machine-specific values (i.e. commissioning data of the individual machines) as baseline data. Results: The configured QA program will be followed strictly by all campuses. Inventory of available equipment has been compiled, and additional equipment acquisitions for the QA program are made as needed. Dosimetric characteristics are evaluated for all machines using the same methods to ensure consistency of beam data where possible. In most cases, baseline data refer to treatment planning system commissioning data but machine-specific values are used as reference where it is deemed appropriate. Conclusion: With a uniform QA scheme, variations in QA procedures are kept to a minimum. With a centralized database, data collection and analysis are simplified. This program will facilitate uniformity in patient treatments and analysis of large amounts of QA data campus

  9. MO-FG-202-09: Virtual IMRT QA Using Machine Learning: A Multi-Institutional Validation

    International Nuclear Information System (INIS)

    Valdes, G; Scheuermann, R; Solberg, T; Chan, M; Deasy, J

    2016-01-01

    Purpose: To validate a machine learning approach to Virtual IMRT QA for accurately predicting gamma passing rates using different QA devices at different institutions. Methods: A Virtual IMRT QA was constructed using a machine learning algorithm based on 416 IMRT plans, in which QA measurements were performed using diode-array detectors and a 3%local/3mm with 10% threshold. An independent set of 139 IMRT measurements from a different institution, with QA data based on portal dosimetry using the same gamma index and 10% threshold, was used to further test the algorithm. Plans were characterized by 90 different complexity metrics. A weighted poison regression with Lasso regularization was trained to predict passing rates using the complexity metrics as input. Results: In addition to predicting passing rates with 3% accuracy for all composite plans using diode-array detectors, passing rates for portal dosimetry on per-beam basis were predicted with an error <3.5% for 120 IMRT measurements. The remaining measurements (19) had large areas of low CU, where portal dosimetry has larger disagreement with the calculated dose and, as such, large errors were expected. These beams need to be further modeled to correct the under-response in low dose regions. Important features selected by Lasso to predict gamma passing rates were: complete irradiated area outline (CIAO) area, jaw position, fraction of MLC leafs with gaps smaller than 20 mm or 5mm, fraction of area receiving less than 50% of the total CU, fraction of the area receiving dose from penumbra, weighted Average Irregularity Factor, duty cycle among others. Conclusion: We have demonstrated that the Virtual IMRT QA can predict passing rates using different QA devices and across multiple institutions. Prediction of QA passing rates could have profound implications on the current IMRT process.

  10. MO-FG-202-09: Virtual IMRT QA Using Machine Learning: A Multi-Institutional Validation

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, G; Scheuermann, R; Solberg, T [University of Pennsylvania, Philadelphia, PA (United States); Chan, M; Deasy, J [Memorial Sloan-Kettering Cancer Center, New York, NY (United States)

    2016-06-15

    Purpose: To validate a machine learning approach to Virtual IMRT QA for accurately predicting gamma passing rates using different QA devices at different institutions. Methods: A Virtual IMRT QA was constructed using a machine learning algorithm based on 416 IMRT plans, in which QA measurements were performed using diode-array detectors and a 3%local/3mm with 10% threshold. An independent set of 139 IMRT measurements from a different institution, with QA data based on portal dosimetry using the same gamma index and 10% threshold, was used to further test the algorithm. Plans were characterized by 90 different complexity metrics. A weighted poison regression with Lasso regularization was trained to predict passing rates using the complexity metrics as input. Results: In addition to predicting passing rates with 3% accuracy for all composite plans using diode-array detectors, passing rates for portal dosimetry on per-beam basis were predicted with an error <3.5% for 120 IMRT measurements. The remaining measurements (19) had large areas of low CU, where portal dosimetry has larger disagreement with the calculated dose and, as such, large errors were expected. These beams need to be further modeled to correct the under-response in low dose regions. Important features selected by Lasso to predict gamma passing rates were: complete irradiated area outline (CIAO) area, jaw position, fraction of MLC leafs with gaps smaller than 20 mm or 5mm, fraction of area receiving less than 50% of the total CU, fraction of the area receiving dose from penumbra, weighted Average Irregularity Factor, duty cycle among others. Conclusion: We have demonstrated that the Virtual IMRT QA can predict passing rates using different QA devices and across multiple institutions. Prediction of QA passing rates could have profound implications on the current IMRT process.

  11. Development of Polymer Acceptors for Organic Photovoltaic Cells

    Directory of Open Access Journals (Sweden)

    Yujeong Kim

    2014-02-01

    Full Text Available This review provides a current status report of the various n-type polymer acceptors for use as active materials in organic photovoltaic cells (OPVs. The polymer acceptors are divided into four categories. The first section of this review focuses on rylene diimide-based polymers, including perylene diimide, naphthalene diimide, and dithienocoronene diimide-based polymers. The high electron mobility and good stability of rylene diimides make them suitable for use as polymer acceptors in OPVs. The second section deals with fluorene and benzothiadiazole-based polymers such as poly(9,9’-dioctylfluorene-co-benzothiadiazole, and the ensuing section focuses on the cyano-substituted polymer acceptors. Cyano-poly(phenylenevinylene and poly(3-cyano-4-hexylthiophene have been used as acceptors in OPVs and exhibit high electron affinity arising from the electron-withdrawing cyano groups in the vinylene group of poly(phenylenevinylene or the thiophene ring of polythiophene. Lastly, a number of other electron-deficient groups such as thiazole, diketopyrrolopyrrole, and oxadiazole have also been introduced onto polymer backbones to induce n-type characteristics in the polymer. Since the first report on all-polymer solar cells in 1995, the best power conversion efficiency obtained with these devices to date has been 3.45%. The overall trend in the development of n-type polymer acceptors is presented in this review.

  12. QA CLASSIFICATION ANALYSIS OF GROUND SUPPORT SYSTEMS

    International Nuclear Information System (INIS)

    D. W. Gwyn

    1996-01-01

    The purpose and objective of this analysis is to determine if the permanent function Ground Support Systems (CI: BABEEOOOO) are quality-affecting items and if so, to establish the appropriate Quality Assurance (QA) classification

  13. Response of Lemna minor L. to short-term cobalt exposure: The effect on photosynthetic electron transport chain and induction of oxidative damage.

    Science.gov (United States)

    Begović, Lidija; Mlinarić, Selma; Antunović Dunić, Jasenka; Katanić, Zorana; Lončarić, Zdenko; Lepeduš, Hrvoje; Cesar, Vera

    2016-06-01

    The effect of two concentrations of cobalt (Co(2+)) on photosynthetic activity and antioxidative response in Lemna minor L. were assessed 24, 48 and 72h after the start of the exposure. Higher concentration of cobalt (1mM) induced growth inhibition while lower concentration (0.01mM) increased photosynthetic pigments content. Analysis of chlorophyll a fluorescence transients revealed high sensitivity of photosystem II primary photochemistry to excess of Co(2+) especially at the higher concentration where decreased electron transport beyond primary quinone acceptor QA(-) and impaired function of oxygen evolving complex (OEC) was observed. Due to impairment of OEC, oxygen production was decreased at higher Co(2+) concentration. Activity of superoxide dismutase was mainly inhibited while lipid peroxidation increased, at both concentrations, indicating that cobalt-induced oxidative damage after short exposure and moreover, susceptibility of the membranes in the cell to cobalt toxicity. Results obtained in this study suggest possible application of used parameters as tools in assessment of early damage caused by metals. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. The inhibition mechanisms of quinones and phenols present in wood for the vinyl polymerization

    International Nuclear Information System (INIS)

    Nobashi, Kenzo; Yokota, Tokuo

    1977-01-01

    The inhibitory effects and mechanisms of the quinones and phenols present in wood for the vinyl polymerization initiated with γ-rays and other initiation systems were investigated. The results obtained are summarized as follows; (1) Although phenolic compounds like isotaxiresinol inhibit the γ-ray initiated polymerization of methyl methacrylate (MMA) under the presence of air, they have no inhibitory effects in vacuo. On the other hand, o-benzoquinone and mansonones show strong inhibitory or retarding effects in vacuo. These facts indicate that oxygen may be important for the phenols to inhibit the vinyl polymerization. (2) It is shown qualitatively that there is a relationship between the strength of inhibitory action of quinones and their normal redox potentials. (3) PMMA produced under the presence of o-benzoquinone is found to include the fraction having extremely large chain length based on gel permeation chromatogram. (4) Based on the reaction products of orthoquinones and azobisisobutyronitrile, which was assumed as a model of polymer radicals, the inhibition reaction with polymer chain radical is concluded to take place upon the oxygen atoms of the quinones. (auth.)

  15. An antibacterial ortho-quinone diterpenoid and its derivatives from Caryopteris mongolica.

    Science.gov (United States)

    Saruul, Erdenebileg; Murata, Toshihiro; Selenge, Erdenechimeg; Sasaki, Kenroh; Yoshizaki, Fumihiko; Batkhuu, Javzan

    2015-06-15

    To identify antibacterial components in traditional Mongolian medicinal plant Caryopteris mongolica, an ortho-quinone abietane caryopteron A (1) and three its derivatives caryopteron B-D (2-4) were isolated from the roots of the plant together with three known abietanes demethylcryptojaponol (5), 6α-hydroxydemethyl cryptojaponol (6), and 14-deoxycoleon U (7). The chemical structures of these abietane derivatives were elucidated on the basis of spectroscopic data. Compounds 1-4 had C-13 methylcyclopropane substructures, and 2-4 had a hexanedioic anhydride ring C instead of ortho-quinone in 1. The stereochemistry of these compound was assumed from NOE spectra and ECD Cotton effects. Compounds 1 and 5-7 showed antibacterial activities against the Gram-positive bacteria Staphylococcus aureus, Staphylococcus epidermidis, Enterococcus faecalis, and Micrococcus luteus, being 1 the more potent. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Phosphorus acceptor doped ZnO nanowires prepared by pulsed-laser deposition

    International Nuclear Information System (INIS)

    Cao, B Q; Lorenz, M; Rahm, A; Wenckstern, H von; Czekalla, C; Lenzner, J; Benndorf, G; Grundmann, M

    2007-01-01

    Phosphorus-doped ZnO (ZnO:P) nanowires were successfully prepared by a novel high-pressure pulsed-laser deposition process using phosphorus pentoxide as the dopant source. Detailed cathodoluminescence studies of single ZnO:P nanowires revealed characteristic phosphorus acceptor-related peaks: neutral acceptor-bound exciton emission (A 0 , X, 3.356 eV), free-to-neutral-acceptor emission (e, A 0 , 3.314 eV), and donor-to-acceptor pair emission (DAP, ∼3.24 and ∼3.04 eV). This means that stable acceptor levels with a binding energy of about 122 meV have been induced in the nanowires by phosphorus doping. Moreover, the induced acceptors are distributed homogeneously along the doped nanowires

  17. A study of acceptors and non-acceptors of family planning methods among three tribal communities.

    Science.gov (United States)

    Mutharayappa, R

    1995-03-01

    Primary data were collected from 399 currently married women of the Marati, Malekudiya, and Koraga tribes in the Dakshina Kannada district of Karnataka State in this study of the implementation of family planning programs in tribal areas. The Marati, Malekudiya, and Koraga tribes are three different endogamous tribal populations living in similar ecological conditions. Higher levels of literacy and a high rate of acceptance of family planning methods, however, have been observed among these tribes compared to the rest of the tribal population in the state. 46.4% of currently married women aged 15-49 years in the tribes were acceptors of family planning methods, having a mean 3.7 children. The majority of acceptors opted for tubectomy and vasectomy. The adoption of spacing methods is less common among tribal people. Most acceptors received their operations through government health facilities. They were motivated mainly by female health workers and received both cash and other incentives to accept family planning. The main reason for non-acceptance of family planning among non-acceptors was the desire to conceive and bear more children. The data indicate that most of the tribal households are nuclear families with household size more or less similar to that of the general population. They have a higher literacy rate than the rest of the tribal population in the state, with literacy levels between males and females and between the three tribes being quite different; the school enrollment ratio is relatively higher for both boys and girls.

  18. SU-F-T-285: Evaluation of a Patient DVH-Based IMRT QA System

    Energy Technology Data Exchange (ETDEWEB)

    Zhen, H; Redler, G; Chu, J; Turian, J [Rush University Medical Center, Chicago, IL (United States)

    2016-06-15

    Purpose: To evaluate the clinical performance of a patient DVH-based QA system for prostate VMAT QA. Methods: Mobius3D(M3D) is a QA software with an independent beam model and dose engine. The MobiusFX(MFX) add-on predicts patient dose using treatment machine log files. We commissioned the Mobius beam model in two steps. First, the stock beam model was customized using machine commissioning data, then verified against the TPS with 12 simple phantom plans and 7 clinical 3D plans. Secondly, the Dosimetric Leaf Gap(DLG) in the Mobius model was fine-tuned for VMAT treatment based on ion chamber measurements for 6 clinical VMAT plans. Upon successful commissioning, we retrospectively performed IMRT QA for 12 VMAT plans with the Mobius system as well as the ArcCHECK-3DVH system. Selected patient DVH values (PTV D95, D50; Bladder D2cc, Dmean; Rectum D2cc) were compared between TPS, M3D, MFX, and 3DVH. Results: During the first commissioning step, TPS and M3D calculated target Dmean for 3D plans agree within 0.7%±0.7%, with 3D gamma passing rates of 98%±2%. In the second commissioning step, the Mobius DLG was adjusted by 1.2mm from the stock value, reducing the average difference between MFX calculation and ion chamber measurement from 3.2% to 0.1%. In retrospective prostate VMAT QA, 5 of 60 MFX calculated DVH values have a deviation greater than 5% compared to TPS. One large deviation at high dose level was identified as a potential QA failure. This echoes the 3DVH QA result, which identified 2 instances of large DVH deviation on the same structure. For all DVH’s evaluated, M3D and MFX show high level of agreement (0.1%±0.2%), indicating that the observed deviation is likely from beam modelling differences rather than delivery errors. Conclusion: Mobius system provides a viable solution for DVH based VMAT QA, with the capability of separating TPS and delivery errors.

  19. SU-F-T-285: Evaluation of a Patient DVH-Based IMRT QA System

    International Nuclear Information System (INIS)

    Zhen, H; Redler, G; Chu, J; Turian, J

    2016-01-01

    Purpose: To evaluate the clinical performance of a patient DVH-based QA system for prostate VMAT QA. Methods: Mobius3D(M3D) is a QA software with an independent beam model and dose engine. The MobiusFX(MFX) add-on predicts patient dose using treatment machine log files. We commissioned the Mobius beam model in two steps. First, the stock beam model was customized using machine commissioning data, then verified against the TPS with 12 simple phantom plans and 7 clinical 3D plans. Secondly, the Dosimetric Leaf Gap(DLG) in the Mobius model was fine-tuned for VMAT treatment based on ion chamber measurements for 6 clinical VMAT plans. Upon successful commissioning, we retrospectively performed IMRT QA for 12 VMAT plans with the Mobius system as well as the ArcCHECK-3DVH system. Selected patient DVH values (PTV D95, D50; Bladder D2cc, Dmean; Rectum D2cc) were compared between TPS, M3D, MFX, and 3DVH. Results: During the first commissioning step, TPS and M3D calculated target Dmean for 3D plans agree within 0.7%±0.7%, with 3D gamma passing rates of 98%±2%. In the second commissioning step, the Mobius DLG was adjusted by 1.2mm from the stock value, reducing the average difference between MFX calculation and ion chamber measurement from 3.2% to 0.1%. In retrospective prostate VMAT QA, 5 of 60 MFX calculated DVH values have a deviation greater than 5% compared to TPS. One large deviation at high dose level was identified as a potential QA failure. This echoes the 3DVH QA result, which identified 2 instances of large DVH deviation on the same structure. For all DVH’s evaluated, M3D and MFX show high level of agreement (0.1%±0.2%), indicating that the observed deviation is likely from beam modelling differences rather than delivery errors. Conclusion: Mobius system provides a viable solution for DVH based VMAT QA, with the capability of separating TPS and delivery errors.

  20. Technical report on comparative analysis of ASME QA requirements and ISO series

    International Nuclear Information System (INIS)

    Kim, Kwan Hyun

    2000-06-01

    This technical report provides the differences on the QA requirement ASME and ISO in nuclear fields. This report applies to the quality assurance(QA) programmes of the design of two requirement. The organization having overall responsibility for the nuclear design, preservation, fabrication shall be described in this report in each stage of design project

  1. UV-Vis spectrophotometry of quinone flow battery electrolyte for in situ monitoring and improved electrochemical modeling of potential and quinhydrone formation.

    Science.gov (United States)

    Tong, Liuchuan; Chen, Qing; Wong, Andrew A; Gómez-Bombarelli, Rafael; Aspuru-Guzik, Alán; Gordon, Roy G; Aziz, Michael J

    2017-12-06

    Quinone-based aqueous flow batteries provide a potential opportunity for large-scale, low-cost energy storage due to their composition from earth abundant elements, high aqueous solubility, reversible redox kinetics and their chemical tunability such as reduction potential. In an operating flow battery utilizing 9,10-anthraquinone-2,7-disulfonic acid, the aggregation of an oxidized quinone and a reduced hydroquinone to form a quinhydrone dimer causes significant variations from ideal solution behavior and of optical absorption from the Beer-Lambert law. We utilize in situ UV-Vis spectrophotometry to establish (a), quinone, hydroquinone and quinhydrone molar attenuation profiles and (b), an equilibrium constant for formation of the quinhydrone dimer (K QHQ ) ∼ 80 M -1 . We use the molar optical attenuation profiles to identify the total molecular concentration and state of charge at arbitrary mixtures of quinone and hydroquinone. We report density functional theory calculations to support the quinhydrone UV-Vis measurements and to provide insight into the dimerization conformations. We instrument a quinone-bromine flow battery with a Pd-H reference electrode in order to demonstrate how complexation in both the negative (quinone) and positive (bromine) electrolytes directly impacts measured half-cell and full-cell voltages. This work shows how accounting for electrolyte complexation improves the accuracy of electrochemical modeling of flow battery electrolytes.

  2. Tolerance limits and methodologies for IMRT measurement-based verification QA: Recommendations of AAPM Task Group No. 218.

    Science.gov (United States)

    Miften, Moyed; Olch, Arthur; Mihailidis, Dimitris; Moran, Jean; Pawlicki, Todd; Molineu, Andrea; Li, Harold; Wijesooriya, Krishni; Shi, Jie; Xia, Ping; Papanikolaou, Nikos; Low, Daniel A

    2018-04-01

    Patient-specific IMRT QA measurements are important components of processes designed to identify discrepancies between calculated and delivered radiation doses. Discrepancy tolerance limits are neither well defined nor consistently applied across centers. The AAPM TG-218 report provides a comprehensive review aimed at improving the understanding and consistency of these processes as well as recommendations for methodologies and tolerance limits in patient-specific IMRT QA. The performance of the dose difference/distance-to-agreement (DTA) and γ dose distribution comparison metrics are investigated. Measurement methods are reviewed and followed by a discussion of the pros and cons of each. Methodologies for absolute dose verification are discussed and new IMRT QA verification tools are presented. Literature on the expected or achievable agreement between measurements and calculations for different types of planning and delivery systems are reviewed and analyzed. Tests of vendor implementations of the γ verification algorithm employing benchmark cases are presented. Operational shortcomings that can reduce the γ tool accuracy and subsequent effectiveness for IMRT QA are described. Practical considerations including spatial resolution, normalization, dose threshold, and data interpretation are discussed. Published data on IMRT QA and the clinical experience of the group members are used to develop guidelines and recommendations on tolerance and action limits for IMRT QA. Steps to check failed IMRT QA plans are outlined. Recommendations on delivery methods, data interpretation, dose normalization, the use of γ analysis routines and choice of tolerance limits for IMRT QA are made with focus on detecting differences between calculated and measured doses via the use of robust analysis methods and an in-depth understanding of IMRT verification metrics. The recommendations are intended to improve the IMRT QA process and establish consistent, and comparable IMRT QA

  3. Quinone-fused porphyrins as contrast agents for photoacoustic imaging

    KAUST Repository

    Banala, Srinivas

    2017-06-27

    Photoacoustic (PA) imaging is an emerging non-invasive diagnostic modality with many potential clinical applications in oncology, rheumatology and the cardiovascular field. For this purpose, there is a high demand for exogenous contrast agents with high absorption coefficients in the optical window for tissue imaging, i.e. the near infrared (NIR) range between 680 and 950 nm. We herein report the photoacoustic properties of quinone-fused porphyrins inserted with different transition metals as new highly promising candidates. These dyes exhibit intense NIR absorption, a lack of fluorescence emission, and PA sensitivity in concentrations below 3 nmol mL. In this context, the highest PA signal was obtained with a Zn(ii) inserted dye. Furthermore, this dye was stable in blood serum and free thiol solution and exhibited negligible cell toxicity. Additionally, the Zn(ii) probe could be detected with an up to 3.2 fold higher PA intensity compared to the clinically most commonly used PA agent, ICG. Thus, further exploration of the \\'quinone-fusing\\' approach to other chromophores may be an efficient way to generate highly potent PA agents that do not fluoresce and shift their absorption into the NIR range.

  4. Alternansucrase acceptor reactions with D-tagatose and L-glucose.

    Science.gov (United States)

    Côté, Gregory L; Dunlap, Christopher A; Appell, Michael; Momany, Frank A

    2005-02-07

    Alternansucrase (EC 2.4.1.140) is a d-glucansucrase that synthesizes an alternating alpha-(1-->3), (1-->6)-linked d-glucan from sucrose. It also synthesizes oligosaccharides via d-glucopyranosyl transfer to various acceptor sugars. Two of the more efficient monosaccharide acceptors are D-tagatose and L-glucose. In the presence of d-tagatose, alternansucrase produced the disaccharide alpha-d-glucopyranosyl-(1-->1)-beta-D-tagatopyranose via glucosyl transfer. This disaccharide is analogous to trehalulose. We were unable to isolate a disaccharide product from L-glucose, but the trisaccharide alpha-D-glucopyranosyl-(1-->6)-alpha-d-glucopyranosyl-(1-->4)-l-glucose was isolated and identified. This is analogous to panose, one of the structural units of pullulan, in which the reducing-end D-glucose residue has been replaced by its L-enantiomer. The putative L-glucose disaccharide product, produced by glucoamylase hydrolysis of the trisaccharide, was found to be an acceptor for alternansucrase. The disaccharide, alpha-D-glucopyranosyl-(1-->4)-L-glucose, was a better acceptor than maltose, previously the best known acceptor for alternansucrase. A structure comparison of alpha-D-glucopyranosyl-(1-->4)-L-glucose and maltose was performed through computer modeling to identify common features, which may be important in acceptor affinity by alternansucrase.

  5. Radiotherapy QA of the DAHANCA 19 protocol

    DEFF Research Database (Denmark)

    Samsøe, E.; Andersen, E.; Hansen, C. R.

    2015-01-01

    Purpose/Objective: It has been demonstrated that nonadherence to protocol-specified radiotherapy (RT) requirements is associated with reduced survival, local control and potentially increased toxicity [1]. Thus, quality assurance (QA) of RT is important when evaluating the results of clinical...

  6. Monitoring of BHT-quinone and BHT-CHO in the gas of capsules of Asclepias physocarpa.

    Science.gov (United States)

    Ma, Bing-Ji; Peng, Hua; Liu, Ji-Kai

    2006-01-01

    Three volatile components, namely benzoic acid ethyl ester (1), 2,6-di-tert-butyl-p-benzoquinone (BHT-quinone) (2), and 3,5-di-tert-butyl-4-hydroxybenzaldehyde (BHT-CHO) (3), were detected from the gas in the capsules of Asclepias physocarpa by means of GC/MS analysis. BHT-quinone and BHT-CHO as organic pollutants are the degradation products of the antioxidant 2,6-di-tert-butyl-4-methylphenol (BHT). Ground water, lake water and/or rain water are a source of BHT metabolites in the plant Asclepias physocarpa.

  7. Comparison of acceptor properties for interaction of TCNE and DDQ ...

    African Journals Online (AJOL)

    ... with tetracyanoethylene and 2,3-dichloro-5,6-dicyanobezoquinone as acceptors result in charge-transfer adducts of composition 2:1 of acceptor to donor, [(acceptor)2(donor)]. Formation constants, K, as well as the thermodynamic parameters, ΔH°, ΔS°, and ΔG° were determined by UV-Vis titration method for the adducts.

  8. The implementing of the training, examination and qualification for QA auditor

    International Nuclear Information System (INIS)

    Ma Xiaozheng; Han Peicong; Zhang Zhongyuan; Zhu Guoliang

    2007-01-01

    China Power Investment Corporation has implemented the training, examination and qualification for QA auditor based on the related requirements of the nuclear safety documents. The bases, planning of the procedure, implementing procedure and suggestions for implementing the training, examination and qualification are described in this article. That can be used as the reference for implementing the training, examination and qualification for QA auditor, as well as for establishment of the related guide. (authors)

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

    Science.gov (United States)

    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.

  10. Syntheses of donor-acceptor-functionalized dihydroazulenes

    DEFF Research Database (Denmark)

    Broman, Søren Lindbæk; Jevric, Martyn; Bond, Andrew

    2014-01-01

    The dihydroazulene (DHA)/vinylheptafulvene (VHF) photo/thermoswitch has been of interest for use in molecular electronics and advanced materials. The switching between the two isomers has previously been found to depend strongly on the presence of donor and acceptor groups. The fine-tuning of opt......The dihydroazulene (DHA)/vinylheptafulvene (VHF) photo/thermoswitch has been of interest for use in molecular electronics and advanced materials. The switching between the two isomers has previously been found to depend strongly on the presence of donor and acceptor groups. The fine...

  11. All three quinone species play distinct roles in ensuring optimal growth under aerobic and fermentative conditions in E. coli K12

    Science.gov (United States)

    Nitzschke, Annika

    2018-01-01

    The electron transport chain of E. coli contains three different quinone species, ubiquinone (UQ), menaquinone (MK) and demethylmenaquinone (DMK). The content and ratio of the different quinone species vary depending on the external conditions. To study the function of the different quinone species in more detail, strains with deletions preventing UQ synthesis, as well as MK and/or DMK synthesis were cultured under aerobic and anaerobic conditions. The strains were characterized with respect to growth and product synthesis. As quinones are also involved in the control of ArcB/A activity, we analyzed the phosphorylation state of the response regulator as well as the expression of selected genes.The data show reduced aerobic growth coupled to lactate production in the mutants defective in ubiquinone synthesis. This confirms the current assumption that ubiquinone is the main quinone under aerobic growth conditions. In the UQ mutant strains the amount of MK and DMK is significantly elevated. The strain synthesizing only DMK is less affected in growth than the strain synthesizing MK as well as DMK. An inhibitory effect of MK on aerobic growth due to increased oxidative stress is postulated.Under fermentative growth conditions the mutant synthesizing only UQ is severely impaired in growth. Obviously, UQ is not able to replace MK and DMK during anaerobic growth. Mutations affecting quinone synthesis have an impact on ArcA phosphorylation only under anaerobic conditions. ArcA phosphorylation is reduced in strains synthesizing only MK or MK plus DMK. PMID:29614086

  12. Carbons, ionic liquids and quinones for electrochemical capacitors

    Directory of Open Access Journals (Sweden)

    Raul eDiaz

    2016-04-01

    Full Text Available Carbons are the main electrode materials used in electrochemical capacitors, which are electrochemical energy storage devices with high power densities and long cycling lifetimes. However, increasing their energy density will improve their potential for commercial implementation. In this regard, the use of high surface area carbons and high voltage electrolytes are well known strategies to increase the attainable energy density, and lately ionic liquids have been explored as promising alternatives to current state of the art acetonitrile-based electrolytes. Also, in terms of safety and sustainability ionic liquids are attractive electrolyte materials for electrochemical capacitors. In addition, it has been shown that the matching of the carbon pore size with the electrolyte ion size further increases the attainable electric double layer (EDL capacitance and energy density.The use of pseudocapacitive reactions can significantly increase the attainable energy density, and quinonic-based materials offer a potentially sustainable and cost effective research avenue for both the electrode and the electrolyte. This perspective will provide an overview of the current state of the art research on electrochemical capacitors based on combinations of carbons, ionic liquids and quinonic compounds, highlighting performances and challenges and discussing possible future research avenues. In this regard, current interest is mainly focused on strategies which may ultimately lead to commercially competitive sustainable high performance electrochemical capacitors for different applications including those requiring mechanical flexibility and biocompatibility.

  13. Isoprenoid quinones resolve the stratification of microbial redox processes in a biogeochemical continuum from the photic zone to deep anoxic sediments of the Black Sea.

    Science.gov (United States)

    Becker, Kevin W; Elling, Felix J; Schröder, Jan M; Lipp, Julius S; Goldhammer, Tobias; Zabel, Matthias; Elvert, Marcus; Overmann, Jörg; Hinrichs, Kai-Uwe

    2018-03-09

    The stratified water column of the Black Sea serves as a model ecosystem for studying the interactions of microorganisms with major biogeochemical cycles. Here we provide detailed analysis of isoprenoid quinones to study microbial redox processes in the ocean. In a continuum from the photic zone through the chemocline into deep anoxic sediments of the southern Black Sea, diagnostic quinones and inorganic geochemical parameters indicate niche segregation between redox processes and corresponding shifts in microbial community composition. Quinones specific for oxygenic photosynthesis and aerobic respiration dominate oxic waters, while quinones associated with thaumarchaeal ammonia-oxidation and bacterial methanotrophy, respectively, dominate a narrow interval in suboxic waters. Quinone distributions indicate highest metabolic diversity within the anoxic zone, with anoxygenic photosynthesis being a major process in its photic layer. In the dark anoxic layer, quinone profiles indicate occurrence of bacterial sulfur and nitrogen cycling, archaeal methanogenesis, and archaeal methanotrophy. Multiple novel ubiquinone isomers, possibly originating from unidentified intra-aerobic anaerobes, occur in this zone. The respiration modes found in the anoxic zone continue into shallow subsurface sediments, but quinone abundances rapidly decrease within the upper 50 cm below sea floor, reflecting the transition to lower energy availability. In the deep subseafloor sediments, quinone distributions and geochemical profiles indicate archaeal methanogenesis/methanotrophy and potentially bacterial fermentative metabolisms. We observed that sedimentary quinone distributions track lithology, which supports prior hypotheses that deep biosphere community composition and metabolisms are determined by environmental conditions during sediment deposition. Importance Microorganisms play crucial roles in global biogeochemical cycles. Yet, we have only a fragmentary understanding of the diversity

  14. Application of QA grading to Yucca Mountain Site Characterization Project items and activities

    International Nuclear Information System (INIS)

    Murthy, R.B.; Smith, S.C.

    1991-01-01

    Grading is the act of selecting the quality assurance (QA) measures necessary to develop and maintain confidence in the quality of an item or activity. The list of QA measures from which this selection is made are the 20 criteria of the Yucca Mountain Site Characterization Project Quality Assurance Requirements Document

  15. Quenching of bacteriochlorophyll fluorescence in chlorosomes from Chloroflexus aurantiacus by exogenous quinones

    DEFF Research Database (Denmark)

    Tokita, S; Frigaard, N-U; Hirota, M

    2000-01-01

    The quenching of bacteriochlorophyll (BChl) c fluorescence in chlorosomes isolated from Chloroflexus aurantiacus was examined by the addition of various benzoquinones, naphthoquinones (NQ), and anthraquinones (AQ). Many quinones showed strong quenching in the micromolar or submicromolar range. Th...

  16. Beam dynamics of mixed high intensity highly charged ion Beams in the Q/A selector

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, X.H., E-mail: zhangxiaohu@impcas.ac.cn [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Yuan, Y.J.; Yin, X.J.; Qian, C.; Sun, L.T. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); Du, H.; Li, Z.S.; Qiao, J.; Wang, K.D. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Zhao, H.W.; Xia, J.W. [Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2017-06-11

    Electron cyclotron resonance (ECR) ion sources are widely used in heavy ion accelerators for their advantages in producing high quality intense beams of highly charged ions. However, it exists challenges in the design of the Q/A selection systems for mixed high intensity ion beams to reach sufficient Q/A resolution while controlling the beam emittance growth. Moreover, as the emittance of beam from ECR ion sources is coupled, the matching of phase space to post accelerator, for a wide range of ion beam species with different intensities, should be carefully studied. In this paper, the simulation and experimental results of the Q/A selection system at the LECR4 platform are shown. The formation of hollow cross section heavy ion beam at the end of the Q/A selector is revealed. A reasonable interpretation has been proposed, a modified design of the Q/A selection system has been committed for HIRFL-SSC linac injector. The features of the new design including beam simulations and experiment results are also presented.

  17. SU-C-BRD-03: Closing the Loop On Virtual IMRT QA

    International Nuclear Information System (INIS)

    Valdes, G; Scheuermann, R; Y, H C.; Olszanski, A; Bellerive, M; Solberg, T

    2015-01-01

    Purpose: To develop an algorithm that predicts a priori IMRT QA passing rates. Methods: 416 IMRT plans from all treatment sites were planned in Eclipse version 11 and delivered using a dynamic sliding window technique on Clinac iX or TrueBeam linacs (Varian Medical Systems, Palo Alto, CA). The 3%/3mm and 2%/2mm local distance to agreement (DTA) were recorded during clinical operations using a commercial 2D diode array (MapCHECK 2, Sun Nuclear, Melbourne, FL). Each plan was characterized by 37 metrics that describe different failure modes between the calculated and measured dose. Machine-learning algorithms (MLAs) were trained to learn the relation between the plan characteristics and each passing rate. Minimization of the cross validated error, together with maximum a posteriori estimation (MAP), were used to choose the model parameters. Results: 3%/3mm local DTA can be predicted with an error smaller than 3% for 98% of the plans. For the remaining 2% of plans, the residual error was within 5%. For 2%/2mm local DTA passing rates, 96% percent of the plans were successfully predicted with an error smaller than 5%. All high-risk plans that failed the 2%/2mm local criteria were correctly identified by the algorithm. The most important metric to describe the passing rates was determined to be the MU per Gray (modulation factor). Conclusions: Logs files and independent dose calculations have been suggested as possible substitutes for measurement based IMRT QA. However, none of these methods answer the fundamental question of whether a plan can be delivered with a clinically acceptable error given the limitations of the linacs and the treatment planning system. Predicting the IMRT QA passing rates a priori closes that loop. For additional robustness, virtual IMRT QA can be combined with Linac QA and log file analysis to confirm appropriate delivery

  18. SU-C-BRD-03: Closing the Loop On Virtual IMRT QA

    Energy Technology Data Exchange (ETDEWEB)

    Valdes, G; Scheuermann, R; Y, H C.; Olszanski, A; Bellerive, M; Solberg, T [University of Pennsylvania, Philadelphia, PA (United States)

    2015-06-15

    Purpose: To develop an algorithm that predicts a priori IMRT QA passing rates. Methods: 416 IMRT plans from all treatment sites were planned in Eclipse version 11 and delivered using a dynamic sliding window technique on Clinac iX or TrueBeam linacs (Varian Medical Systems, Palo Alto, CA). The 3%/3mm and 2%/2mm local distance to agreement (DTA) were recorded during clinical operations using a commercial 2D diode array (MapCHECK 2, Sun Nuclear, Melbourne, FL). Each plan was characterized by 37 metrics that describe different failure modes between the calculated and measured dose. Machine-learning algorithms (MLAs) were trained to learn the relation between the plan characteristics and each passing rate. Minimization of the cross validated error, together with maximum a posteriori estimation (MAP), were used to choose the model parameters. Results: 3%/3mm local DTA can be predicted with an error smaller than 3% for 98% of the plans. For the remaining 2% of plans, the residual error was within 5%. For 2%/2mm local DTA passing rates, 96% percent of the plans were successfully predicted with an error smaller than 5%. All high-risk plans that failed the 2%/2mm local criteria were correctly identified by the algorithm. The most important metric to describe the passing rates was determined to be the MU per Gray (modulation factor). Conclusions: Logs files and independent dose calculations have been suggested as possible substitutes for measurement based IMRT QA. However, none of these methods answer the fundamental question of whether a plan can be delivered with a clinically acceptable error given the limitations of the linacs and the treatment planning system. Predicting the IMRT QA passing rates a priori closes that loop. For additional robustness, virtual IMRT QA can be combined with Linac QA and log file analysis to confirm appropriate delivery.

  19. Common QA/QM Criteria for Multinational Vendor Inspection

    International Nuclear Information System (INIS)

    2014-01-01

    This VICWG document provides the 'Common QA/QM Criteria' which will be used in Multinational Vendor Inspection. The 'Common QA/QM Criteria' provides the basic consideration when performing the Vendor Inspection. These criteria has been developed in conformity with International Codes and Standards such as IAEA, ISO and so on that MDEP member countries adopted. The purpose of the VICWG is to establish areas of co-operation in the Vendor Inspection practices among MDEP member countries as described in the MDEP issue-specific Terms of Reference (ToR). As part of this, from the beginning, a survey was performed to understand and to identify areas of commonality and differences between regulatory practices of member countries in the area of vendor inspection. The VICWG also collaborated by performing Witnessed Inspections and Joint Inspections. Through these activities, it was recognized that member countries commonly apply the IAEA safety standard (GS-R-3) to the vendor inspection criteria, and almost ail European member countries apply the ISO standard (ISO9001). In the US, the NRC regulatory requirement in 10 CFR, Part 50, Appendix B is used. South Korea uses the same criteria as in the US. As a result of the information obtained, a comparison table between codes and standards (IAEAGS-R-3, ISO 9001:2008.10CFR50 Appendix Band ASME NQA-1) has been developed in order to inform the development of 'Common QA/QM Criteria'. The result is documented in Table 1, 'MDEP CORE QA/QM Requirement and Comparison between Codes and Standards'. In addition, each country's criteria were compared with the US 10CFR50 Appendix B as a template. Table 2 shows VICWG Survey on Quality Assurance Program Requirements. Through these activities above, we considered that the core requirements should be consistent with both IAEA safety standard and ISO standard, and considered that the common requirements in the US 10CFR50 Appendix B used to the survey

  20. On the use of biomathematical models in patient-specific IMRT dose QA

    Energy Technology Data Exchange (ETDEWEB)

    Zhen Heming [UT Southwestern Medical Center, Dallas, Texas 75390 (United States); Nelms, Benjamin E. [Canis Lupus LLC, Merrimac, Wisconsin 53561 (United States); Tome, Wolfgang A. [Department of Radiation Oncology, Division of Medical Physics, Montefiore Medical Center and Institute of Onco-Physics, Albert Einstein College of Medicine, Bronx, New York 10461 (United States)

    2013-07-15

    Purpose: To investigate the use of biomathematical models such as tumor control probability (TCP) and normal tissue complication probability (NTCP) as new quality assurance (QA) metrics.Methods: Five different types of error (MLC transmission, MLC penumbra, MLC tongue and groove, machine output, and MLC position) were intentionally induced to 40 clinical intensity modulated radiation therapy (IMRT) patient plans (20 H and N cases and 20 prostate cases) to simulate both treatment planning system errors and machine delivery errors in the IMRT QA process. The changes in TCP and NTCP for eight different anatomic structures (H and N: CTV, GTV, both parotids, spinal cord, larynx; prostate: CTV, rectal wall) were calculated as the new QA metrics to quantify the clinical impact on patients. The correlation between the change in TCP/NTCP and the change in selected DVH values was also evaluated. The relation between TCP/NTCP change and the characteristics of the TCP/NTCP curves is discussed.Results:{Delta}TCP and {Delta}NTCP were summarized for each type of induced error and each structure. The changes/degradations in TCP and NTCP caused by the errors vary widely depending on dose patterns unique to each plan, and are good indicators of each plan's 'robustness' to that type of error.Conclusions: In this in silico QA study the authors have demonstrated the possibility of using biomathematical models not only as patient-specific QA metrics but also as objective indicators that quantify, pretreatment, a plan's robustness with respect to possible error types.

  1. On the use of biomathematical models in patient-specific IMRT dose QA

    International Nuclear Information System (INIS)

    Zhen Heming; Nelms, Benjamin E.; Tomé, Wolfgang A.

    2013-01-01

    Purpose: To investigate the use of biomathematical models such as tumor control probability (TCP) and normal tissue complication probability (NTCP) as new quality assurance (QA) metrics.Methods: Five different types of error (MLC transmission, MLC penumbra, MLC tongue and groove, machine output, and MLC position) were intentionally induced to 40 clinical intensity modulated radiation therapy (IMRT) patient plans (20 H and N cases and 20 prostate cases) to simulate both treatment planning system errors and machine delivery errors in the IMRT QA process. The changes in TCP and NTCP for eight different anatomic structures (H and N: CTV, GTV, both parotids, spinal cord, larynx; prostate: CTV, rectal wall) were calculated as the new QA metrics to quantify the clinical impact on patients. The correlation between the change in TCP/NTCP and the change in selected DVH values was also evaluated. The relation between TCP/NTCP change and the characteristics of the TCP/NTCP curves is discussed.Results:ΔTCP and ΔNTCP were summarized for each type of induced error and each structure. The changes/degradations in TCP and NTCP caused by the errors vary widely depending on dose patterns unique to each plan, and are good indicators of each plan's “robustness” to that type of error.Conclusions: In this in silico QA study the authors have demonstrated the possibility of using biomathematical models not only as patient-specific QA metrics but also as objective indicators that quantify, pretreatment, a plan's robustness with respect to possible error types

  2. IMRT QA: Selecting gamma criteria based on error detection sensitivity

    Energy Technology Data Exchange (ETDEWEB)

    Steers, Jennifer M. [Department of Radiation Oncology, Cedars-Sinai Medical Center, Los Angeles, California 90048 and Physics and Biology in Medicine IDP, David Geffen School of Medicine, University of California, Los Angeles, Los Angeles, California 90095 (United States); Fraass, Benedick A., E-mail: benedick.fraass@cshs.org [Department of Radiation Oncology, Cedars-Sinai Medical Center, Los Angeles, California 90048 (United States)

    2016-04-15

    Purpose: The gamma comparison is widely used to evaluate the agreement between measurements and treatment planning system calculations in patient-specific intensity modulated radiation therapy (IMRT) quality assurance (QA). However, recent publications have raised concerns about the lack of sensitivity when employing commonly used gamma criteria. Understanding the actual sensitivity of a wide range of different gamma criteria may allow the definition of more meaningful gamma criteria and tolerance limits in IMRT QA. We present a method that allows the quantitative determination of gamma criteria sensitivity to induced errors which can be applied to any unique combination of device, delivery technique, and software utilized in a specific clinic. Methods: A total of 21 DMLC IMRT QA measurements (ArcCHECK®, Sun Nuclear) were compared to QA plan calculations with induced errors. Three scenarios were studied: MU errors, multi-leaf collimator (MLC) errors, and the sensitivity of the gamma comparison to changes in penumbra width. Gamma comparisons were performed between measurements and error-induced calculations using a wide range of gamma criteria, resulting in a total of over 20 000 gamma comparisons. Gamma passing rates for each error class and case were graphed against error magnitude to create error curves in order to represent the range of missed errors in routine IMRT QA using 36 different gamma criteria. Results: This study demonstrates that systematic errors and case-specific errors can be detected by the error curve analysis. Depending on the location of the error curve peak (e.g., not centered about zero), 3%/3 mm threshold = 10% at 90% pixels passing may miss errors as large as 15% MU errors and ±1 cm random MLC errors for some cases. As the dose threshold parameter was increased for a given %Diff/distance-to-agreement (DTA) setting, error sensitivity was increased by up to a factor of two for select cases. This increased sensitivity with increasing dose

  3. Impact of Thermal Annealing on Organic Photovoltaic Cells Using Regioisomeric Donor-Acceptor-Acceptor Molecules.

    Science.gov (United States)

    Zhang, Tao; Han, Han; Zou, Yunlong; Lee, Ying-Chi; Oshima, Hiroya; Wong, Ken-Tsung; Holmes, Russell J

    2017-08-02

    We report a promising set of donor-acceptor-acceptor (D-A-A) electron-donor materials based on coplanar thieno[3,2-b]/[2,3-b]indole, benzo[c][1,2,5]thiadiazole, and dicyanovinylene, which are found to show broadband absorption with high extinction coefficients. The role of the regioisomeric electron-donating thienoindole moiety on the physical and structural properties is examined. Bulk heterojunction (BHJ) organic photovoltaic cells (OPVs) based on the thieno[2,3-b]indole-based electron donor NTU-2, using C 70 as an electron acceptor, show a champion power conversion efficiency of 5.2% under AM 1.5G solar simulated illumination. This efficiency is limited by a low fill factor (FF), as has previously been the case in D-A-A systems. In order to identify the origin of the limited FF, further insight into donor layer charge-transport behavior is realized by examining planar heterojunction OPVs, with emphasis on the evolution of film morphology with thermal annealing. Compared to as-deposited OPVs that exhibit insufficient donor crystallinity, crystalline OPVs based on annealed thin films show an increase in the short-circuit current density, FF, and power conversion efficiency. These results suggest that that the crystallization of D-A-A molecules might not be realized spontaneously at room temperature and that further processing is needed to realize efficient charge transport in these materials.

  4. Highly solvatochromic emission of electron donor-acceptor compounds containing propanedioato boron electron acceptors

    NARCIS (Netherlands)

    Brouwer, A.M.; Bakker, N.A.C.; Wiering, P.G.; Verhoeven, J.W.

    1991-01-01

    Light-induced electron transfer occurs in bifunctional compounds consisting of 1,3-diphenylpropanedioato boron oxalate or fluoride electron acceptors and simple aromatic electron-donor groups, linked by a methylene bridge; fluorescence from the highly polar charge-transfer excited state is

  5. Molecular complexes of L-phenylalanine with substituted 1,4-benzoquinones in aqueous medium: Spectral and theoretical investigations

    Science.gov (United States)

    Ganesh, K.; El-Mossalamy, E. H.; Satheshkumar, A.; Balraj, C.; Elango, K. P.

    2013-12-01

    Various spectral techniques such as UV-Vis, FT-IR, and fluorescence have been employed to investigate the charge transfer interaction of L-phenylalanine (LPA) with substituted 1,4-benzoquinones (MQ1-4). Kinetic and thermodynamic properties of the complexes were determined in aqueous medium at physiological condition (pH = 7). The interaction of MQ1-4 with L-phenylalanine (LPA) was found to proceed through the formation of donor-acceptor complex, yielding a radical anion. The stoichiometry of the complexes was determined by Jobs continuous variation method and was found to be 1:1 in all the cases. Fluorescence quenching studies showed that the interaction between the donor and the acceptors is spontaneous. The results indicated that the progressive replacement of chlorine atom (-I effect) by methoxy group (+M effect) in the quinone decreased the electron acceptor property of the quinone. The order of the experimentally measured association constant of these complexes was well supported by DFT/B3LYP calculations.

  6. Effects of oxygen radical scavengers on the inactivation of SS phi X174 DNA by the semi-quinone free radical of the antitumor agent etoposide

    NARCIS (Netherlands)

    van Maanen, M.J.; Mans, D.R.A.; Lafleur, M.V.M.; Van Schaik, M A; de Vries, J; Vermeulen, N P; Retèl, J.; Lankelma, J

    1990-01-01

    We have studied the effects of oxygen radical scavengers on the inactivation of ss phi X174 DNA by the semi-quinone free radical of the antitumor agent etoposide (VP 16-213), which was generated from the ortho-quinone of etoposide at pH greater than or equal to 7.4. A semi-quinone free radical of

  7. DeepQA: improving the estimation of single protein model quality with deep belief networks.

    Science.gov (United States)

    Cao, Renzhi; Bhattacharya, Debswapna; Hou, Jie; Cheng, Jianlin

    2016-12-05

    Protein quality assessment (QA) useful for ranking and selecting protein models has long been viewed as one of the major challenges for protein tertiary structure prediction. Especially, estimating the quality of a single protein model, which is important for selecting a few good models out of a large model pool consisting of mostly low-quality models, is still a largely unsolved problem. We introduce a novel single-model quality assessment method DeepQA based on deep belief network that utilizes a number of selected features describing the quality of a model from different perspectives, such as energy, physio-chemical characteristics, and structural information. The deep belief network is trained on several large datasets consisting of models from the Critical Assessment of Protein Structure Prediction (CASP) experiments, several publicly available datasets, and models generated by our in-house ab initio method. Our experiments demonstrate that deep belief network has better performance compared to Support Vector Machines and Neural Networks on the protein model quality assessment problem, and our method DeepQA achieves the state-of-the-art performance on CASP11 dataset. It also outperformed two well-established methods in selecting good outlier models from a large set of models of mostly low quality generated by ab initio modeling methods. DeepQA is a useful deep learning tool for protein single model quality assessment and protein structure prediction. The source code, executable, document and training/test datasets of DeepQA for Linux is freely available to non-commercial users at http://cactus.rnet.missouri.edu/DeepQA/ .

  8. Dependence of the Mg-related acceptor ionization energy with the acceptor concentration in p-type GaN layers grown by molecular beam epitaxy

    International Nuclear Information System (INIS)

    Brochen, Stéphane; Brault, Julien; Chenot, Sébastien; Dussaigne, Amélie; Leroux, Mathieu; Damilano, Benjamin

    2013-01-01

    Hall effect and capacitance-voltage C(V) measurements were performed on p-type GaN:Mg layers grown on GaN templates by molecular beam epitaxy with a high range of Mg-doping concentrations. The free hole density and the effective dopant concentration N A −N D as a function of magnesium incorporation measured by secondary ion mass spectroscopy clearly reveal both a magnesium doping efficiency up to 90% and a strong dependence of the acceptor ionization energy Ea with the acceptor concentration N A . These experimental observations highlight an isolated acceptor binding energy of 245±25 meV compatible, at high acceptor concentration, with the achievement of p-type GaN:Mg layers with a hole concentration at room temperature close to 10 19 cm −3

  9. Menadione enhances oxyradical formation in earthworm extracts: vulnerability of earthworms to quinone toxicity

    International Nuclear Information System (INIS)

    Osman, A.M.; Besten, P.J. den; Noort, P.C.M. van

    2003-01-01

    NAD(P)H-cytochrome c reductase activities have been determined in the earthworms, L. rubellus and A. chlorotica, extracts. Menadione (0.35 mM, maximum concentration tested) was found to stimulate the rates of NADPH- and NADH-dependent cytochrome c reduction by three- and twofold, respectively. Superoxide dismutase (SOD) inhibited completely this menadione-mediated stimulation, suggesting that ·O 2 - is involved in the redox cycling of menadione. However, SOD had no effect on the basal activity (activity in the absence of quinone) in the case of NADH-dependent cytochrome c reduction, whereas it partially inhibited the basal activity of NADPH-cytochrome c reduction. This indicates direct electron transfer in the former case and the formation of superoxide anion in the latter. DT-diaphorase, measured as the dicumarol-inhibitable part of menadione reductase activity, was not detectable in the earthworms' extracts. In contrast, it was found that DT-diaphorase represents about 70% of the menadione reductase activities in the freshwater mussel, Dreissena polymorpha. The results of this work suggest that earthworms, compared with mussels, could be more vulnerable to oxidative stress from quinones due to lack, or very low level of DT-diaphorase, an enzyme considered to play a significant role in the detoxification of quinones. On the contrary, mussels have efficient DT-diaphorase, which catalyzes two-electron reduction of menadione directly to hydroquinone, thus circumventing the formation of semiquinone

  10. Progress in ZnO Acceptor Doping: What Is the Best Strategy?

    Directory of Open Access Journals (Sweden)

    Judith G. Reynolds

    2014-01-01

    Full Text Available This paper reviews the recent progress in acceptor doping of ZnO that has been achieved with a focus toward the optimum strategy. There are three main approaches for generating p-type ZnO: substitutional group IA elements on a zinc site, codoping of donors and acceptors, and substitution of group VA elements on an oxygen site. The relevant issues are whether there is sufficient incorporation of the appropriate dopant impurity species, does it reside on the appropriate lattice site, and lastly whether the acceptor ionization energy is sufficiently small to enable significant p-type conduction at room temperature. The potential of nitrogen doping and formation of the appropriate acceptor complexes is highlighted although theoretical calculations predict that nitrogen on an oxygen site is a deep acceptor. We show that an understanding of the growth and annealing steps to achieve the relevant acceptor defect complexes is crucial to meet requirements.

  11. Influence of acceptor on charge mobility in stacked π-conjugated polymers

    Science.gov (United States)

    Sun, Shih-Jye; Menšík, Miroslav; Toman, Petr; Gagliardi, Alessio; Král, Karel

    2018-02-01

    We present a quantum molecular model to calculate mobility of π-stacked P3HT polymer layers with electron acceptor dopants coupled next to side groups in random position with respect to the linear chain. The hole density, the acceptor LUMO energy and the hybridization transfer integral between the acceptor and polymer were found to be very critical factors to the final hole mobility. For a dopant LUMO energy close and high above the top of the polymer valence band we have found a significant mobility increase with the hole concentration and with the dopant LUMO energy approaching the top of the polymer valence band. Higher mobility was achieved for small values of hybridization transfer integral between polymer and the acceptor, corresponding to the case of weakly bound acceptor. Strong couplings between the polymer and the acceptor with Coulomb repulsion interactions induced from the electron localizations was found to suppress the hole mobility.

  12. A Chatbot as a Natural Web Interface to Arabic Web QA

    Directory of Open Access Journals (Sweden)

    Bayan Abu Shawar

    2011-03-01

    Full Text Available In this paper, we describe a way to access Arabic Web Question Answering (QA corpus using a chatbot, without the need for sophisticated natural language processing or logical inference. Any Natural Language (NL interface to Question Answer (QA system is constrained to reply with the given answers, so there is no need for NL generation to recreate well-formed answers, or for deep analysis or logical inference to map user input questions onto this logical ontology; simple (but large set of pattern-template matching rules will suffice. In previous research, this approach works properly with English and other European languages. In this paper, we try to see how the same chatbot will react in terms of Arabic Web QA corpus. Initial results shows that 93% of answers were correct, but because of a lot of characteristics related to Arabic language, changing Arabic questions into other forms may lead to no answers.

  13. Characteristics of ovulation method acceptors: a cross-cultural assessment.

    Science.gov (United States)

    Klaus, H; Labbok, M; Barker, D

    1988-01-01

    Five programs of instruction in the ovulation method (OM) in diverse geographic and cultural settings are described, and characteristics of approximately 200 consecutive OM acceptors in each program are examined. Major findings include: the religious background and family size of acceptors are variable, as is the level of previous contraceptive use. Acceptors are drawn from a wide range of socioeconomic and religious backgrounds; however, family planning intention was similarly distributed in all five countries. In sum, the ovulation method is accepted by persons from a variety of backgrounds within and between cultural setting.

  14. Theory of Primary Photoexcitations in Donor-Acceptor Copolymers.

    Science.gov (United States)

    Aryanpour, Karan; Dutta, Tirthankar; Huynh, Uyen N V; Vardeny, Zeev Valy; Mazumdar, Sumit

    2015-12-31

    We present a generic theory of primary photoexcitations in low band gap donor-acceptor conjugated copolymers. Because of the combined effects of strong electron correlations and broken symmetry, there is considerable mixing between a charge-transfer exciton and an energetically proximate triplet-triplet state with an overall spin singlet. The triplet-triplet state, optically forbidden in homopolymers, is allowed in donor-acceptor copolymers. For an intermediate difference in electron affinities of the donor and the acceptor, the triplet-triplet state can have a stronger oscillator strength than the charge-transfer exciton. We discuss the possibility of intramolecular singlet fission from the triplet-triplet state, and how such fission can be detected experimentally.

  15. Web Implementation of Quality Assurance (QA) for X-ray Units in Balkanic Medical Institutions.

    Science.gov (United States)

    Urošević, Vlade; Ristić, Olga; Milošević, Danijela; Košutić, Duško

    2015-08-01

    Diagnostic radiology is the major contributor to the total dose of the population from all artificial sources. In order to reduce radiation exposure and optimize diagnostic x-ray image quality, it is necessary to increase the quality and efficiency of quality assurance (QA) and audit programs. This work presents a web application providing completely new QA solutions for x-ray modalities and facilities. The software gives complete online information (using European standards) with which the corresponding institutions and individuals can evaluate and control a facility's Radiation Safety and QA program. The software enables storage of all data in one place and sharing the same information (data), regardless of whether the measured data is used by an individual user or by an authorized institution. The software overcomes the distance and time separation of institutions and individuals who take part in QA. Upgrading the software will enable assessment of the medical exposure level to ionizing radiation.

  16. TU-FG-201-01: 18-Month Clinical Experience of a Linac Daily Quality Assurance (QA) Solution Using Only EPID and OBI

    Energy Technology Data Exchange (ETDEWEB)

    Cai, B; Sun, B; Yaddanapudi, S; Goddu, S; Li, H; Caruthers, D; Kavanaugh, J; Mutic, S [Washington University School of Medicine, Saint Louis, MO (United States)

    2016-06-15

    Purpose: To describe the clinical use of a Linear Accelerator (Linac) DailyQA system with only EPID and OBI. To assess the reliability over an 18-month period and improve the robustness of this system based on QA failure analysis. Methods: A DailyQA solution utilizing an in-house designed phantom, combined EPID and OBI image acquisitions, and a web-based data analysis and reporting system was commissioned and used in our clinic to measure geometric, dosimetry and imaging components of a Varian Truebeam Linac. During an 18-month period (335 working days), the Daily QA results, including the output constancy, beam flatness and symmetry, uniformity, TPR20/10, MV and KV imaging quality, were collected and analyzed. For output constancy measurement, an independent monthly QA system with an ionization chamber (IC) and annual/incidental TG51 measurements with ADCL IC were performed and cross-compared to Daily QA system. Thorough analyses were performed on the recorded QA failures to evaluate the machine performance, optimize the data analysis algorithm, adjust the tolerance setting and improve the training procedure to prevent future failures. Results: A clinical workflow including beam delivery, data analysis, QA report generation and physics approval was established and optimized to suit daily clinical operation. The output tests over the 335 working day period cross-correlated with the monthly QA system within 1.3% and TG51 results within 1%. QA passed with one attempt on 236 days out of 335 days. Based on the QA failures analysis, the Gamma criteria is revised from (1%, 1mm) to (2%, 1mm) considering both QA accuracy and efficiency. Data analysis algorithm is improved to handle multiple entries for a repeating test. Conclusion: We described our 18-month clinical experience on a novel DailyQA system using only EPID and OBI. The long term data presented demonstrated the system is suitable and reliable for Linac daily QA.

  17. SU-E-CAMPUS-T-04: Statistical Process Control for Patient-Specific QA in Proton Beams

    Energy Technology Data Exchange (ETDEWEB)

    LAH, J [Myongji Hospital, Goyangsi, Gyeonggi-do (Korea, Republic of); SHIN, D [National Cancer Center, Goyangsi, Gyeonggi-do (Korea, Republic of); Kim, G [UCSD Medical Center, La Jolla, CA (United States)

    2014-06-15

    Purpose: To evaluate and improve the reliability of proton QA process, to provide an optimal customized level using the statistical process control (SPC) methodology. The aim is then to suggest the suitable guidelines for patient-specific QA process. Methods: We investigated the constancy of the dose output and range to see whether it was within the tolerance level of daily QA process. This study analyzed the difference between the measured and calculated ranges along the central axis to suggest the suitable guidelines for patient-specific QA in proton beam by using process capability indices. In this study, patient QA plans were classified into 6 treatment sites: head and neck (41 cases), spinal cord (29 cases), lung (28 cases), liver (30 cases), pancreas (26 cases), and prostate (24 cases). Results: The deviations for the dose output and range of daily QA process were ±0.84% and ±019%, respectively. Our results show that the patient-specific range measurements are capable at a specification limit of ±2% in all treatment sites except spinal cord cases. In spinal cord cases, comparison of process capability indices (Cp, Cpm, Cpk ≥1, but Cpmk ≤1) indicated that the process is capable, but not centered, the process mean deviates from its target value. The UCL (upper control limit), CL (center line) and LCL (lower control limit) for spinal cord cases were 1.37%, −0.27% and −1.89%, respectively. On the other hands, the range differences in prostate cases were good agreement between calculated and measured values. The UCL, CL and LCL for prostate cases were 0.57%, −0.11% and −0.78%, respectively. Conclusion: SPC methodology has potential as a useful tool to customize an optimal tolerance levels and to suggest the suitable guidelines for patient-specific QA in clinical proton beam.

  18. The Role of Human Aldo-Keto Reductases in the Metabolic Activation and Detoxication of Polycyclic Aromatic Hydrocarbons: Interconversion of PAH Catechols and PAH o-Quinones

    Science.gov (United States)

    Zhang, Li; Jin, Yi; Huang, Meng; Penning, Trevor M.

    2012-01-01

    Polycyclic aromatic hydrocarbons (PAH) are ubiquitous environmental pollutants. They are procarcinogens requiring metabolic activation to elicit their deleterious effects. Aldo-keto reductases (AKR) catalyze the oxidation of proximate carcinogenic PAH trans-dihydrodiols to yield electrophilic and redox-active PAH o-quinones. AKRs are also found to be capable of reducing PAH o-quinones to form PAH catechols. The interconversion of o-quinones and catechols results in the redox-cycling of PAH o-quinones to give rise to the generation of reactive oxygen species and subsequent oxidative DNA damage. On the other hand, PAH catechols can be intercepted through phase II metabolism by which PAH o-quinones could be detoxified and eliminated. The aim of the present review is to summarize the role of human AKRs in the metabolic activation/detoxication of PAH and the relevance of phase II conjugation reactions to human lung carcinogenesis. PMID:23162467

  19. Measuring protection of aromatic wine thiols from oxidation by competitive reactions vs wine preservatives with ortho-quinones.

    Science.gov (United States)

    Nikolantonaki, Maria; Magiatis, Prokopios; Waterhouse, Andrew L

    2014-11-15

    Quinones are central intermediates in wine oxidation that can degrade the quality of wine by reactions with varietal thiols, such as 3-sulfanylhexanol, decreasing desirable aroma. Protection by wine preservatives (sulphur dioxide, glutathione, ascorbic acid and model tannin, phloroglucinol) was assessed by competitive sacrificial reactions with 4-methyl-1,2-benzoquinone, quantifying products and ratios by HPLC-UV-MS. Regioselectivity was assessed by product isolation and identification by NMR spectroscopy. Nucleophilic addition reactions compete with two electron reduction of quinones by sulphur dioxide or ascorbic acid, and both routes serve as effective quenching pathways, but minor secondary products from coupled redox reactions between the products and reactants are also observed. The wine preservatives were all highly reactive and thus all very protective against 3-sulfanylhexanol loss to the quinone, but showed only additive antioxidant effects. Confirmation of these reaction rates and pathways in wine is needed to assess the actual protective action of each tested preservative. Copyright © 2014 Elsevier Ltd. All rights reserved.

  20. Absorption from Neutral Acceptors in GaAs and GaP

    DEFF Research Database (Denmark)

    Christensen, Ove

    1973-01-01

    We present a new calculation of the absorption due to transitions of holes between neutral acceptors and the various valence-band sublevels in GaAs and GaP. The acceptor wave function was approximated by a previously suggested expression for ground-state wave functions appropriate to complicated...... band extrema. Numerical calculations of the absorption from intervalence-band transitions of free holes and neutral acceptors have been performed. Good agreement with experimental results is obtained....

  1. The binding of quinone to the photosynthetic reaction centers: kinetics and thermodynamics of reactions occurring at the QB-site in zwitterionic and anionic liposomes.

    Science.gov (United States)

    Mavelli, Fabio; Trotta, Massimo; Ciriaco, Fulvio; Agostiano, Angela; Giotta, Livia; Italiano, Francesca; Milano, Francesco

    2014-07-01

    Liposomes represent a versatile biomimetic environment for studying the interaction between integral membrane proteins and hydrophobic ligands. In this paper, the quinone binding to the QB-site of the photosynthetic reaction centers (RC) from Rhodobacter sphaeroides has been investigated in liposomes prepared with either the zwitterionic phosphatidylcholine (PC) or the negatively charged phosphatidylglycerol (PG) to highlight the role of the different phospholipid polar heads. Quinone binding (K Q) and interquinone electron transfer (L AB) equilibrium constants in the two type of liposomes were obtained by charge recombination reaction of QB-depleted RC in the presence of increasing amounts of ubiquinone-10 over the temperature interval 6-35 °C. The kinetic of the charge recombination reactions has been fitted by numerically solving the ordinary differential equations set associated with a detailed kinetic scheme involving electron transfer reactions coupled with quinone release and uptake. The entire set of traces at each temperature was accurately fitted using the sole quinone release constants (both in a neutral and a charge separated state) as adjustable parameters. The temperature dependence of the quinone exchange rate at the QB-site was, hence, obtained. It was found that the quinone exchange regime was always fast for PC while it switched from slow to fast in PG as the temperature rose above 20 °C. A new method was introduced in this paper for the evaluation of constant K Q using the area underneath the charge recombination traces as the indicator of the amount of quinone bound to the QB-site.

  2. Discussion of Regulatory Guide 7.10, emphasizing the graded approach for establishing QA programs

    International Nuclear Information System (INIS)

    Gordon, L.; Lake, W.H.

    1983-01-01

    To assist applicants in establishing an acceptable QA program to meet the programmatic elements of Appendix E to 10 CFR Part 71, Regulatory Guide 7.10 was developed. Regulatory Guide 7.10 is organized in three self-contained ANNEXES. Guidance applicable to designer/fabricators, to users, and users of radiographic devices are in separate annexes. QA programs for packaging to transport radioactive material are similar in regard to the various operations a licensee may be involved in. However, the appropriate QA/QC effort to verify the program elements may vary significantly. This is referred to as the graded approach. Appendix A in the guide addresses the graded approach

  3. Quinones are growth factors for the human gut microbiota.

    Science.gov (United States)

    Fenn, Kathrin; Strandwitz, Philip; Stewart, Eric J; Dimise, Eric; Rubin, Sarah; Gurubacharya, Shreya; Clardy, Jon; Lewis, Kim

    2017-12-20

    The human gut microbiome has been linked to numerous components of health and disease. However, approximately 25% of the bacterial species in the gut remain uncultured, which limits our ability to properly understand, and exploit, the human microbiome. Previously, we found that growing environmental bacteria in situ in a diffusion chamber enables growth of uncultured species, suggesting the existence of growth factors in the natural environment not found in traditional cultivation media. One source of growth factors proved to be neighboring bacteria, and by using co-culture, we isolated previously uncultured organisms from the marine environment and identified siderophores as a major class of bacterial growth factors. Here, we employ similar co-culture techniques to grow bacteria from the human gut microbiome and identify novel growth factors. By testing dependence of slow-growing colonies on faster-growing neighboring bacteria in a co-culture assay, eight taxonomically diverse pairs of bacteria were identified, in which an "induced" isolate formed a gradient of growth around a cultivatable "helper." This set included two novel species Faecalibacterium sp. KLE1255-belonging to the anti-inflammatory Faecalibacterium genus-and Sutterella sp. KLE1607. While multiple helper strains were identified, Escherichia coli was also capable of promoting growth of all induced isolates. Screening a knockout library of E. coli showed that a menaquinone biosynthesis pathway was required for growth induction of Faecalibacterium sp. KLE1255 and other induced isolates. Purified menaquinones induced growth of 7/8 of the isolated strains, quinone specificity profiles for individual bacteria were identified, and genome analysis suggests an incomplete menaquinone biosynthetic capability yet the presence of anaerobic terminal reductases in the induced strains, indicating an ability to respire anaerobically. Our data show that menaquinones are a major class of growth factors for bacteria

  4. Deactivation of group III acceptors in silicon during keV electron irradiation

    International Nuclear Information System (INIS)

    Sah, C.; Sun, J.Y.; Tzou, J.J.; Pan, S.C.

    1983-01-01

    Experimental results on p-Si metal-oxide-semiconductor capacitors (MOSC's) are presented which demonstrate the electrical deactivation of the acceptor dopant impurity during 8-keV electron irradiation not only in boron but also aluminum and indium-doped silicon. The deactivation rates of the acceptors during the 8-keV electron irradiation are nearly independent of the acceptor impurity type. The final density of the remaining active acceptor approaches nonzero values N/sub infinity/, with N/sub infinity/(B) Al--H>In-H. These deactivation results are consistent with our hydrogen bond model. The thermal annealing or regeneration rate of the deactivated acceptors in the MOSC's irradiated by 8-keV electron is much smaller than that in the MOSC's that have undergone avalanche electron injection, indicating that the keV electron irradiation gives rise to stronger hydrogen-acceptor bond

  5. Positronium Inhibition and Quenching by Organic Electron Acceptors and Charge Transfer Complexes

    DEFF Research Database (Denmark)

    Jansen, P.; Eldrup, Morten Mostgaard; Jensen, Bror Skytte

    1975-01-01

    Positron lifetime measurements were performed on a series of organic electron acceptors and charge-transfer complexes in solution. The acceptors cause both positronium (Ps) inhibition (with maybe one exception) and quenching, but when an acceptor takes part in a charge-transfer complex...... in terms of the spur reaction model of Ps formation. Correlation was also made to gas phase reaction between electron acceptors and free electron, as well as to pulse radiolysis data....

  6. WE-AB-201-02: TPS Commissioning and QA: A Process Orientation and Application of Control Charts

    International Nuclear Information System (INIS)

    Sharpe, M.

    2015-01-01

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  7. WE-AB-201-02: TPS Commissioning and QA: A Process Orientation and Application of Control Charts

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, M. [The Princess Margaret Cancer Centre - UHN (Canada)

    2015-06-15

    Treatment planning systems (TPS) are a cornerstone of modern radiation therapy. Errors in their commissioning or use can have a devastating impact on many patients. To support safe and high quality care, medical physicists must conduct efficient and proper commissioning, good clinical integration, and ongoing quality assurance (QA) of the TPS. AAPM Task Group 53 and related publications have served as seminal benchmarks for TPS commissioning and QA over the past two decades. Over the same time, continuing innovations have made the TPS even more complex and more central to the clinical process. Medical goals are now expressed in terms of the dose and margins around organs and tissues that are delineated from multiple imaging modalities (CT, MR and PET); and even temporally resolved (i.e., 4D) imaging. This information is passed on to optimization algorithms to establish accelerator movements that are programmed directly for IMRT, VMAT and stereotactic treatments. These advances have made commissioning and QA of the TPS much more challenging. This education session reviews up-to-date experience and guidance on this subject; including the recently published AAPM Medical Physics Practice Guideline (MPPG) #5 “Commissioning and QA of Treatment Planning Dose Calculations: Megavoltage Photon and Electron Beams”. Treatment Planning System Commissioning and QA: Challenges and Opportunities (Greg Salomons) This session will provide some key background and review publications describing prominent incidents relating to TPS commissioning and QA. Traditional approaches have been hardware and feature oriented. They aim to establish a functional configuration and establish specifications for regular testing of features (like dose calculation) to assure stable operation and detect failures. With the advent of more complex systems, more patient-specific testing has also been adopted. A number of actual TPS defects will be presented along with heuristics for identifying similar

  8. Size Effect of the 2-D Bodies on the Geothermal Gradient and Q-A Plot

    Science.gov (United States)

    Thakur, M.; Blackwell, D. D.

    2009-12-01

    Using numerical models we have investigated some of the criticisms on the Q-A plot of related to the effect of size of the body on the slope and reduced heat flow. The effects of horizontal conduction depend on the relative difference of radioactivity between the body and the country rock (assuming constant thermal conductivity). Horizontal heat transfer due to different 2-D bodies was numerically studied in order to quantify resulting temperature differences at the Moho and errors on the predication of Qr (reduced heat flow). Using the two end member distributions of radioactivity, the step model (thickness 10km) and exponential model, different 2-D models of horizontal scale (width) ranging from 10 -500 km were investigated. Increasing the horizontal size of the body tends to move observations closer towards the 1-D solution. A temperature difference of 50 oC is produced (for the step model) at Moho between models of width 10 km versus 500 km. In other words the 1-D solution effectively provides large scale averaging in terms of heat flow and temperature field in the lithosphere. For bodies’ ≤ 100 km wide the geotherms at shallower levels are affected, but at depth they converge and are 50 oC lower than that of the infinite plate model temperature. In case of 2-D bodies surface heat flow is decreased due to horizontal transfer of heat, which will shift the Q-A point vertically downward on the Q-A plot. The smaller the size of the body, the more will be the deviation from the 1-D solution and the more will be the movement of Q-A point downwards on a Q-A plot. On the Q-A plot, a limited points of bodies of different sizes with different radioactivity contrast (for the step and exponential model), exactly reproduce the reduced heat flow Qr. Thus the size of the body can affect the slope on a Q-A plot but Qr is not changed. Therefore, Qr ~ 32 mWm-2 obtained from the global terrain average Q-A plot represents the best estimate of stable continental mantle heat

  9. Modeling charge transfer at organic donor-acceptor semiconductor interfaces

    NARCIS (Netherlands)

    Cakir, Deniz; Bokdam, Menno; de Jong, Machiel Pieter; Fahlman, M.; Brocks, G.

    2012-01-01

    We develop an integer charge transfer model for the potential steps observed at interfaces between donor and acceptor molecular semiconductors. The potential step can be expressed as the difference between the Fermi energy pinning levels of electrons on the acceptor material and holes on the donor

  10. Menadione enhances oxyradical formation in earthworm extracts: vulnerability of earthworms to quinone toxicity

    Energy Technology Data Exchange (ETDEWEB)

    Osman, A.M.; Besten, P.J. den; Noort, P.C.M. van

    2003-10-08

    NAD(P)H-cytochrome c reductase activities have been determined in the earthworms, L. rubellus and A. chlorotica, extracts. Menadione (0.35 mM, maximum concentration tested) was found to stimulate the rates of NADPH- and NADH-dependent cytochrome c reduction by three- and twofold, respectively. Superoxide dismutase (SOD) inhibited completely this menadione-mediated stimulation, suggesting that {center_dot}O{sub 2}{sup -} is involved in the redox cycling of menadione. However, SOD had no effect on the basal activity (activity in the absence of quinone) in the case of NADH-dependent cytochrome c reduction, whereas it partially inhibited the basal activity of NADPH-cytochrome c reduction. This indicates direct electron transfer in the former case and the formation of superoxide anion in the latter. DT-diaphorase, measured as the dicumarol-inhibitable part of menadione reductase activity, was not detectable in the earthworms' extracts. In contrast, it was found that DT-diaphorase represents about 70% of the menadione reductase activities in the freshwater mussel, Dreissena polymorpha. The results of this work suggest that earthworms, compared with mussels, could be more vulnerable to oxidative stress from quinones due to lack, or very low level of DT-diaphorase, an enzyme considered to play a significant role in the detoxification of quinones. On the contrary, mussels have efficient DT-diaphorase, which catalyzes two-electron reduction of menadione directly to hydroquinone, thus circumventing the formation of semiquinone.

  11. Acceptors in II-IV Semiconductors - Incorporation and Complex Formation

    CERN Multimedia

    2002-01-01

    A strong effort is currently devoted to the investigation of defects and the electrical activation of dopant atoms in II-VI semiconductors. In particular, the knowledge about the behaviour of acceptors, prerequisite for the fabrication of p-type semiconductors, is rather limited. The perturbed $\\,{\\gamma\\gamma}$ -angular correlation technique (PAC) and the photoluminescence spectroscopy (PL) using the radioactive isotopes $^{77}\\!$Br and $^{111}\\!$Ag will be applied for investigating the behaviour of acceptor dopant atoms and their interactions with defects in II-VI semiconductors. The main topic will be the identification of the technical conditions for the incorporation of electrically active acceptors in the II-VI semiconductors ~ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe with particular emphasis on the compounds~ CdTe, ZnSe, and ZnTe. The investigations will be supplemented by first exploratory PL experiments with the group V acceptors $^{71}\\!$As and $^{121}\\!$Sb. With help of the probe $^{111}\\!$Ag, the pos...

  12. Fluorescent and colorimetric molecular recognition probe for hydrogen bond acceptors.

    Science.gov (United States)

    Pike, Sarah J; Hunter, Christopher A

    2017-11-22

    The association constants for formation of 1 : 1 complexes between a H-bond donor, 1-naphthol, and a diverse range of charged and neutral H-bond acceptors have been measured using UV/vis absorption and fluorescence emission titrations. The performance of 1-naphthol as a dual colorimetric and fluorescent molecular recognition probe for determining the H-bond acceptor (HBA) parameters of charged and neutral solutes has been investigated in three solvents. The data were employed to establish self-consistent H-bond acceptor parameters (β) for benzoate, azide, chloride, thiocyanate anions, a series of phosphine oxides, phosphate ester, sulfoxide and a tertiary amide. The results demonstrate both the transferability of H-bond parameters between different solvents and the utility of the naphthol-based dual molecular recognition probe to exploit orthogonal spectroscopic techniques to determine the HBA properties of neutral and charged solutes. The benzoate anion is the strongest HBA studied with a β parameter of 15.4, and the neutral tertiary amide is the weakest H-bond acceptor investigated with a β parameter of 8.5. The H-bond acceptor strength of the azide anion is higher than that of chloride (12.8 and 12.2 respectively), and the thiocyanate anion has a β value of 10.8 and thus is a significantly weaker H-bond acceptor than both the azide and chloride anions.

  13. Quinone methides tethered to naphthalene diimides as selective G-quadruplex alkylating agents.

    Science.gov (United States)

    Di Antonio, Marco; Doria, Filippo; Richter, Sara N; Bertipaglia, Carolina; Mella, Mariella; Sissi, Claudia; Palumbo, Manlio; Freccero, Mauro

    2009-09-16

    We have developed novel G-quadruplex (G-4) ligand/alkylating hybrid structures, tethering the naphthalene diimide moiety to quaternary ammonium salts of Mannich bases, as quinone-methide precursors, activatable by mild thermal digestion (40 degrees C). The bis-substituted naphthalene diimides were efficiently synthesized, and their reactivity as activatable bis-alkylating agents was investigated in the presence of thiols and amines in aqueous buffered solutions. The electrophilic intermediate, quinone-methide, involved in the alkylation process was trapped, in the presence of ethyl vinyl ether, in a hetero Diels-Alder [4 + 2] cycloaddition reaction, yielding a substituted 2-ethoxychroman. The DNA recognition and alkylation properties of these new derivatives were investigated by gel electrophoresis, circular dichroism, and enzymatic assays. The alkylation process occurred preferentially on the G-4 structure in comparison to other DNA conformations. By dissecting reversible recognition and alkylation events, we found that the reversible process is a prerequisite to DNA alkylation, which in turn reinforces the G-quadruplex structural rearrangement.

  14. Quinone 1 e and 2 e /2 H + Reduction Potentials: Identification and Analysis of Deviations from Systematic Scaling Relationships

    Energy Technology Data Exchange (ETDEWEB)

    Huynh, Mioy T.; Anson, Colin W.; Cavell, Andrew C.; Stahl, Shannon S.; Hammes-Schiffer, Sharon

    2016-11-10

    Quinones participate in diverse electron transfer and proton-coupled electron transfer processes in chemistry and biology. An experimental study of common quinones reveals a non-linear correlation between the 1 e and 2 e/2 H+ reduction potentials. This unexpected observation prompted a computational study of 128 different quinones, probing their 1 e reduction potentials, pKa values, and 2 e/2 H+ reduction potentials. The density functional theory calculations reveal an approximately linear correlation between these three properties and an effective Hammett constant associated with the quinone substituent(s). However, deviations from this linear scaling relationship are evident for quinones that feature halogen substituents, charged substituents, intramolecular hydrogen bonding in the hydroquinone, and/or sterically bulky substituents. These results, particularly the different substituent effects on the 1 e versus 2 e /2 H+ reduction potentials, have important implications for designing quinones with tailored redox properties.

  15. The effect of intramolecular donor–acceptor moieties with donor–π-bridge–acceptor structure on the solar photovoltaic performance

    Directory of Open Access Journals (Sweden)

    T. L. Wang

    2015-10-01

    Full Text Available A series of intramolecular donor–acceptor polymers containing different contents of (E-1-(2-ethylhexyl-6,9-dioctyl-2-(2-(thiophen-3-ylvinyl-1H-phenanthro[9,10-d]imidazole (thiophene-DOPI moiety and 4,4-diethylhexylcyclopenta[ 2,1-b:3,4-b']dithiophene (CPDT unit was synthesized via Grignard metathesis (GRIM polymerization. The synthesized random copolymers and homopolymer of thiophene-DOPI contain the donor–π-bridge–acceptor conjugated structure to tune the absorption spectra and energy levels of the resultant polymers. UV-vis spectra of the three polymer films exhibit panchromatic absorptions ranging from 300 to 1100 nm and low band gaps from 1.38 to 1.51 eV. It is found that more thiophene-DOPI moieties result in the decrease of band gap and lower the highest occupied molecular orbital (HOMO and lowest unoccupied molecular orbital (LUMO values of polymers. Photovoltaic performance results indicate that if the content of the intramolecular donor–acceptor moiety is high enough, the copolymer structure may be better than homopolymer due to more light-harvesting afforded by both monomer units.

  16. Improving Photoconductance of Fluorinated Donors with Fluorinated Acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Garner, Logan E.; Larson, Bryon; Oosterhout, Stefan; Owczarczyk, Zbyslaw; Olson, Dana C.; Kopidakis, Nikos; Boltalina, Olga V.; Strauss, Steven H.; Braunecker, Wade A.

    2016-11-21

    This work investigates the influence of fluorination of both donor and acceptor materials on the generation of free charge carriers in small molecule donor/fullerene acceptor BHJ OPV active layers. A fluorinated and non-fluorinated small molecule analogue were synthesized and their optoelectronic properties characterized. The intrinsic photoconductance of blends of these small molecule donors was investigated using time-resolved microwave conductivity. Blends of the two donor molecules with a traditional non-fluorinated fullerene (PC70BM) as well as a fluorinated fullerene (C60(CF3)2-1) were investigated using 5% and 50% fullerene loading. We demonstrate for the first time that photoconductance in a 50:50 donor:acceptor BHJ blend using a fluorinated fullerene can actually be improved relative to a traditional non-fluorinated fullerene by fluorinating the donor molecule as well.

  17. Spatial structure of single and interacting Mn acceptors in GaAs

    Science.gov (United States)

    Koenraad, Paul

    2005-03-01

    Ferromagnetic semiconductors such as Ga1-xMnxAs are receiving a lot of attention at the moment because of their application in spintronic devices. However, despite intense study of deep acceptors in III-V semiconductors such as MnGa, little information has been obtained on their electronic properties at the atomic scale. Yet the spatial shape of the Mn acceptor state will influence the hole-mediated Mn-Mn coupling and thus all of the magnetic properties of ferromagnetic semiconductors such as Ga1-xMnxAs. This study presents an experimental and theoretical description of the spatial symmetry of the Mn acceptor wave-function in GaAs. We present measurements of the spatial mapping of the anisotropic wavefunction of a hole localized at a Mn acceptor. To achieve this, we have used the STM tip not only to image the Mn acceptor but also to manipulate its charge state A^0/A^- at room temperature. Within an envelope function effective mass model (EFM) the anisotropy in the acceptor wave-function can be traced to the influence of the cubic symmetry of the GaAs crystal which selects specific d-states that mix into the ground state due to the spin-orbit interaction in the valence band. Comparison with calculations based on a tight-binding model (TBM) for the Mn acceptor structure supports this conclusion. Using the same experimental and theoretical approach we furthermore explored the interaction between Mn acceptors directly by analyzing close Mn-Mn pairs, which were separated by less than 2 nm. We will discuss some implications of these results for Mn delta-doped layers grown on differently oriented growth surfaces.

  18. Quality assurance (QA) and quality control (QC) of image guided radiotherapy (IGRT). Osaka Rosai Hospital experience

    International Nuclear Information System (INIS)

    Tsuboi, Kazuki; Yagi, Masayuki; Fujiwara, Kanta

    2013-01-01

    The linear accelerator with image guided radiation therapy (IGRT) was introduced in May 2010. We performed the verification of the IGRT system, id est (i.e.), acceptance test and our original performance test and confirmed the acceptability for clinical use. We also performed daily QA/QC program before the start of treatment. One-year experience of QA/QC program showed excellent stability of IGRT function compared with our old machine. We further hope to establish the more useful management system and QA/QC program. (author)

  19. QA [Quality Assurance] role in advanced energy activities: Towards an /open quotes/orthodox/close quotes/ Quality Program: Canonizing the traditions at Fermilab

    International Nuclear Information System (INIS)

    Bodnarczuk, M.W.

    1988-02-01

    After a brief description of the goal of Fermi National Accelerator Laboratory (Fermilab) this paper poses and answers three questions related to Quality Assurance (QA) at the Laboratory. First, what is the difference between 'orthodox' and 'unorthodox' QA and is there a place for 'orthodox' QA at a laboratory like Fermilab? Second, are the deeper philosophical and cultural frameworks of high-energy physics acommodating or antagonistic to an 'orthodox' QA Program? Finally, faced with the task of developing an institutional QA program for Fermilab where does one begin? The paper is based on experience with the on-going development and implementation of an institutional QA Program at Fermilab. 10 refs

  20. Basic concept of QA for advanced technologies

    International Nuclear Information System (INIS)

    Mijnheer, Ben

    2008-01-01

    The lecture was structured as follows: (1) Rationale for accurate dose determination; (2) Existing recommendations and guidance; (3) Challenges within the current QA paradigm; (4) New paradigm adopted by AAPM TG 100; and (5) Application of new paradigm to IMRT. Attention was paid, i.a., to major accidents in radiotherapy such as Epinal-1. (P.A.)

  1. A copper-relates shallow acceptor in quenched germanium

    International Nuclear Information System (INIS)

    Kamiura, Yoichi; Hashimoto, Fumio; Sugiyama, Hazime; Yoneyama, Shin-ichiro

    1982-01-01

    The temperature variation of hole density was measured in the range 5-200 K after successive annealings at 320sup(o)C. It was found that a shallow acceptor at Esub(v) + 9 meV disappears on annealing, being replaced by a just equal additional density of substitutional copper. This provides experimental proof that the shallow acceptor is a defect complex containing at least one copper atom. (author)

  2. Theory of Primary Photoexcitations in Donor-Acceptor Copolymers

    OpenAIRE

    Aryanpour, Karan; Dutta, Tirthankar; Huynh, Uyen N. V.; Vardeny, Zeev Valy; Mazumdar, Sumit

    2015-01-01

    We present a generic theory of primary photoexcitations in low band gap donor-acceptor conjugated copolymers. Because of the combined effects of strong electron correlations and broken symmetry, there is considerable mixing between a charge-transfer exciton and an energetically proximate triplet-triplet state with an overall spin singlet. The triplet-triplet state, optically forbidden in homopolymers, is allowed in donor-acceptor copolymers. For an intermediate difference in electron affiniti...

  3. Proposal for a Similar Question Search System on a Q&A Site

    Directory of Open Access Journals (Sweden)

    Katsutoshi Kanamori

    2014-06-01

    Full Text Available There is a service to help Internet users obtain answers to specific questions when they visit a Q&A site. A Q&A site is very useful for the Internet user, but posted questions are often not answered immediately. This delay in answering occurs because in most cases another site user is answering the question manually. In this study, we propose a system that can present a question that is similar to a question posted by a user. An advantage of this system is that a user can refer to an answer to a similar question. This research measures the similarity of a candidate question based on word and dependency parsing. In an experiment, we examined the effectiveness of the proposed system for questions actually posted on the Q&A site. The result indicates that the system can show the questioner the answer to a similar question. However, the system still has a number of aspects that should be improved.

  4. An Inverse Electron Demand Azo-Diels-Alder Reaction of o-Quinone Methides and Imino Ethers: Synthesis of Benzocondensed 1,3-Oxazines.

    Science.gov (United States)

    Osipov, Dmitry V; Osyanin, Vitaly A; Khaysanova, Guzel' D; Masterova, Elvira R; Krasnikov, Pavel E; Klimochkin, Yuri N

    2018-04-20

    We have studied the reactions of o-quinone methide precursors with imino ethers. The reaction provides a versatile route to substituted 1,3-benzoxazines. The proposed reaction mechanism involves the generation of the o-quinone methide intermediates, imino-Diels-Alder reaction, and elimination. This cascade process is a rare example of the participation of imino ethers as dienophiles.

  5. Metabolic response of Geobacter sulfurreducens towards electron donor/acceptor variation

    Directory of Open Access Journals (Sweden)

    Lovley Derek R

    2010-11-01

    Full Text Available Abstract Background Geobacter sulfurreducens is capable of coupling the complete oxidation of organic compounds to iron reduction. The metabolic response of G. sulfurreducens towards variations in electron donors (acetate, hydrogen and acceptors (Fe(III, fumarate was investigated via 13C-based metabolic flux analysis. We examined the 13C-labeling patterns of proteinogenic amino acids obtained from G. sulfurreducens cultured with 13C-acetate. Results Using 13C-based metabolic flux analysis, we observed that donor and acceptor variations gave rise to differences in gluconeogenetic initiation, tricarboxylic acid cycle activity, and amino acid biosynthesis pathways. Culturing G. sulfurreducens cells with Fe(III as the electron acceptor and acetate as the electron donor resulted in pyruvate as the primary carbon source for gluconeogenesis. When fumarate was provided as the electron acceptor and acetate as the electron donor, the flux analysis suggested that fumarate served as both an electron acceptor and, in conjunction with acetate, a carbon source. Growth on fumarate and acetate resulted in the initiation of gluconeogenesis by phosphoenolpyruvate carboxykinase and a slightly elevated flux through the oxidative tricarboxylic acid cycle as compared to growth with Fe(III as the electron acceptor. In addition, the direction of net flux between acetyl-CoA and pyruvate was reversed during growth on fumarate relative to Fe(III, while growth in the presence of Fe(III and acetate which provided hydrogen as an electron donor, resulted in decreased flux through the tricarboxylic acid cycle. Conclusions We gained detailed insight into the metabolism of G. sulfurreducens cells under various electron donor/acceptor conditions using 13C-based metabolic flux analysis. Our results can be used for the development of G. sulfurreducens as a chassis for a variety of applications including bioremediation and renewable biofuel production.

  6. Acceptors related to group I elements in ZnO ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Kushnirenko, V.I. [V. Lashkarev Institute of Semiconductor Physics, NAS of Ukraine, Pr. Nauky 45, Kiev 03028 (Ukraine); Markevich, I.V., E-mail: ivmarkevich@ukr.net [V. Lashkarev Institute of Semiconductor Physics, NAS of Ukraine, Pr. Nauky 45, Kiev 03028 (Ukraine); Zashivailo, T.V. [National Technical University of Ukraine ' KPI' , Pr. Pobedy 37, Kiev 03056 (Ukraine)

    2012-08-15

    ZnO ceramics doped with Li, Na or K were sintered in air for 4 h at 1000 Degree-Sign C. Electrical conductivity as well as photoluminescence (PL), PL excitation and photoconductivity spectra were measured and compared with those in undoped samples. The influence of both fast and slow cooling of the samples from 1000 Degree-Sign C on measured characteristics was investigated. The yellow-orange PL bands associated with the deep acceptors Li{sub Zn}, Na{sub Zn} and K{sub Zn} were observed and the corresponding PL excitation spectra were determined. These acceptors were found to form some complexes with other lattice defects. - Highlights: Black-Right-Pointing-Pointer Centers related to Li, Na and K impurities in zinc oxide were investigated. Black-Right-Pointing-Pointer It was shown that Li{sub Zn}, Na{sub Zn} and K{sub Zn} centers were deep acceptors responsible for yellow-orange PL bands. Black-Right-Pointing-Pointer These acceptors were found to form some complexes with other lattice defects. Black-Right-Pointing-Pointer The formation of shallow acceptors due to doping ZnO ceramics with Li, Na and K was not found.

  7. Are the reactions of quinones on graphite adiabatic?

    International Nuclear Information System (INIS)

    Luque, N.B.; Schmickler, W.

    2013-01-01

    Outer sphere electron transfer reactions on pure metal electrodes are often adiabatic and hence independent of the electrode material. Since it is not clear, whether adiabatic electron transfer can also occur on a semi-metal like graphite, we have re-investigated experimental data presented in a recent communication by Nissim et al. [Chemical Communications 48 (2012) 3294] on the reactions of quinones on graphite. We have supplemented their work by DFT calculations and conclude, that these reactions are indeed adiabatic. This contradicts the assertion of Nissim et al. that the rates are proportional to the density of states at the Fermi level

  8. Liquid Quinones for Solvent-Free Redox Flow Batteries.

    Science.gov (United States)

    Shimizu, Akihiro; Takenaka, Keisuke; Handa, Naoyuki; Nokami, Toshiki; Itoh, Toshiyuki; Yoshida, Jun-Ichi

    2017-11-01

    Liquid benzoquinone and naphthoquinone having diethylene glycol monomethyl ether groups are designed and synthesized as redox active materials that dissolve supporting electrolytes. The Li-ion batteries based on the liquid quinones using LiBF 4 /PC show good performance in terms of voltage, capacity, energy efficiency, and cyclability in both static and flow modes. A battery is constructed without using intentionally added organic solvent, and its high energy density (264 W h L -1 ) demonstrates the potential of solvent-free organic redox flow batteries using liquid active materials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. SU-G-TeP2-01: Can EPID Based Measurement Replace Traditional Daily Output QA On Megavoltage Linac?

    International Nuclear Information System (INIS)

    Saleh, Z; Tang, X; Song, Y; Obcemea, C; Beeban, N; Chan, M; Li, X; Tang, G; Lim, S; Lovelock, D; LoSasso, T; Mechalakos, J; Both, S

    2016-01-01

    Purpose: To investigate the long term stability and viability of using EPID-based daily output QA via in-house and vendor driven protocol, to replace conventional QA tools and improve QA efficiency. Methods: Two Varian TrueBeam machines (TB1&TB2) equipped with electronic portal imaging devices (EPID) were employed in this study. Both machines were calibrated per TG-51 and used clinically since Oct 2014. Daily output measurement for 6/15 MV beams were obtained using SunNuclear DailyQA3 device as part of morning QA. In addition, in-house protocol was implemented for EPID output measurement (10×10 cm fields, 100 MU, 100cm SID, output defined over an ROI of 2×2 cm around central axis). Moreover, the Varian Machine Performance Check (MPC) was used on both machines to measure machine output. The EPID and DailyQA3 based measurements of the relative machine output were compared and cross-correlated with monthly machine output as measured by an A12 Exradin 0.65cc Ion Chamber (IC) serving as ground truth. The results were correlated using Pearson test. Results: The correlations among DailyQA3, in-house EPID and Varian MPC output measurements, with the IC for 6/15 MV were similar for TB1 (0.83–0.95) and TB2 (0.55–0.67). The machine output for the 6/15MV beams on both machines showed a similar trend, namely an increase over time as indicated by all measurements, requiring a machine recalibration after 6 months. This drift is due to a known issue with pressurized monitor chamber which tends to leak over time. MPC failed occasionally but passed when repeated. Conclusion: The results indicate that the use of EPID for daily output measurements has the potential to become a viable and efficient tool for daily routine LINAC QA, thus eliminating weather (T,P) and human setup variability and increasing efficiency of the QA process.

  10. SU-G-TeP2-01: Can EPID Based Measurement Replace Traditional Daily Output QA On Megavoltage Linac?

    Energy Technology Data Exchange (ETDEWEB)

    Saleh, Z; Tang, X; Song, Y; Obcemea, C; Beeban, N; Chan, M; Li, X; Tang, G; Lim, S; Lovelock, D; LoSasso, T; Mechalakos, J; Both, S [Memorial Sloan-Kettering Cancer Center, NY (United States)

    2016-06-15

    Purpose: To investigate the long term stability and viability of using EPID-based daily output QA via in-house and vendor driven protocol, to replace conventional QA tools and improve QA efficiency. Methods: Two Varian TrueBeam machines (TB1&TB2) equipped with electronic portal imaging devices (EPID) were employed in this study. Both machines were calibrated per TG-51 and used clinically since Oct 2014. Daily output measurement for 6/15 MV beams were obtained using SunNuclear DailyQA3 device as part of morning QA. In addition, in-house protocol was implemented for EPID output measurement (10×10 cm fields, 100 MU, 100cm SID, output defined over an ROI of 2×2 cm around central axis). Moreover, the Varian Machine Performance Check (MPC) was used on both machines to measure machine output. The EPID and DailyQA3 based measurements of the relative machine output were compared and cross-correlated with monthly machine output as measured by an A12 Exradin 0.65cc Ion Chamber (IC) serving as ground truth. The results were correlated using Pearson test. Results: The correlations among DailyQA3, in-house EPID and Varian MPC output measurements, with the IC for 6/15 MV were similar for TB1 (0.83–0.95) and TB2 (0.55–0.67). The machine output for the 6/15MV beams on both machines showed a similar trend, namely an increase over time as indicated by all measurements, requiring a machine recalibration after 6 months. This drift is due to a known issue with pressurized monitor chamber which tends to leak over time. MPC failed occasionally but passed when repeated. Conclusion: The results indicate that the use of EPID for daily output measurements has the potential to become a viable and efficient tool for daily routine LINAC QA, thus eliminating weather (T,P) and human setup variability and increasing efficiency of the QA process.

  11. Polychlorinated biphenyl quinone induces oxidative DNA damage and repair responses: The activations of NHEJ, BER and NER via ATM-p53 signaling axis

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Hui; Shi, Qiong; Song, Xiufang; Fu, Juanli; Hu, Lihua; Xu, Demei; Su, Chuanyang; Xia, Xiaomin; Song, Erqun; Song, Yang, E-mail: songyangwenrong@hotmail.com

    2015-07-01

    Our previous studies demonstrated that polychlorinated biphenyl (PCB) quinone induced oxidative DNA damage in HepG2 cells. To promote genomic integrity, DNA damage response (DDR) coordinates cell-cycle transitions, DNA repair and apoptosis. PCB quinone-induced cell cycle arrest and apoptosis have been documented, however, whether PCB quinone insult induce DNA repair signaling is still unknown. In this study, we identified the activation of DDR and corresponding signaling events in HepG2 cells upon the exposure to a synthetic PCB quinone, PCB29-pQ. Our data illustrated that PCB29-pQ induces the phosphorylation of p53, which was mediated by ataxia telangiectasia mutated (ATM) protein kinase. The observed phosphorylated histone H2AX (γ-H2AX) foci and the elevation of 8-hydroxy-2′-deoxyguanosine (8-OHdG) indicated that DDR was stimulated by PCB29-pQ treatment. Additionally, we found PCB29-pQ activates non-homologous end joining (NHEJ), base excision repair (BER) and nucleotide excision repair (NER) signalings. However, these repair pathways are not error-free processes and aberrant repair of DNA damage may cause the potential risk of carcinogenesis and mutagenesis. - Highlights: • Polychlorinated biphenyl quinone induces oxidative DNA damage in HepG2 cells. • The elevation of γ-H2AX and 8-OHdG indicates the activation of DNA damage response. • ATM-p53 signaling acts as the DNA damage sensor and effector. • Polychlorinated biphenyl quinone activates NHEJ, BER and NER signalings.

  12. Synthesis and X-ray crystal structure of the first tetrathiafulvalene-based acceptor-donor-acceptor sandwich

    DEFF Research Database (Denmark)

    Simonsen, Klaus B.; Thorup, Niels; Cava, Michael P.

    1998-01-01

    The synthesis and characterization of a bis-macrocyclic A-D-A sandwich produced in a simple one-pot reaction is reported. Only one acceptor unit participates in charge-transfer interactions with the TTF unit in the solid state....

  13. 2012 Gordon Research Conference, Electron donor-acceptor interactions, August 5-10 2012

    Energy Technology Data Exchange (ETDEWEB)

    McCusker, James [Michigan State Univ., East Lansing, MI (United States)

    2012-08-10

    The upcoming incarnation of the Gordon Research Conference on Electron Donor Acceptor Interactions will feature sessions on classic topics including proton-coupled electron transfer, dye-sensitized solar cells, and biological electron transfer, as well as emerging areas such as quantum coherence effects in donor-acceptor interactions, spintronics, and the application of donor-acceptor interactions in chemical synthesis.

  14. Bimolecular Rate Constants for FAD-Dependent Glucose Dehydrogenase from Aspergillus terreus and Organic Electron Acceptors.

    Science.gov (United States)

    Tsuruoka, Nozomu; Sadakane, Takuya; Hayashi, Rika; Tsujimura, Seiya

    2017-03-10

    The flavin adenine dinucleotide-dependent glucose dehydrogenase (FAD-GDH) from Aspergillus species require suitable redox mediators to transfer electrons from the enzyme to the electrode surface for the application of bioelectrical devices. Although several mediators for FAD-GDH are already in use, they are still far from optimum in view of potential, kinetics, sustainability, and cost-effectiveness. Herein, we investigated the efficiency of various phenothiazines and quinones in the electrochemical oxidation of FAD-GDH from Aspergillus terreus . At pH 7.0, the logarithm of the bimolecular oxidation rate constants appeared to depend on the redox potentials of all the mediators tested. Notably, the rate constant of each molecule for FAD-GDH was approximately 2.5 orders of magnitude higher than that for glucose oxidase from Aspergillus sp. The results suggest that the electron transfer kinetics is mainly determined by the formal potential of the mediator, the driving force of electron transfer, and the electron transfer distance between the redox active site of the mediator and the FAD, affected by the steric or chemical interactions. Higher k ₂ values were found for ortho-quinones than for para-quinones in the reactions with FAD-GDH and glucose oxidase, which was likely due to less steric hindrance in the active site in the case of the ortho-quinones.

  15. Bimolecular Rate Constants for FAD-Dependent Glucose Dehydrogenase from Aspergillus terreus and Organic Electron Acceptors

    Directory of Open Access Journals (Sweden)

    Nozomu Tsuruoka

    2017-03-01

    Full Text Available The flavin adenine dinucleotide-dependent glucose dehydrogenase (FAD-GDH from Aspergillus species require suitable redox mediators to transfer electrons from the enzyme to the electrode surface for the application of bioelectrical devices. Although several mediators for FAD-GDH are already in use, they are still far from optimum in view of potential, kinetics, sustainability, and cost-effectiveness. Herein, we investigated the efficiency of various phenothiazines and quinones in the electrochemical oxidation of FAD-GDH from Aspergillus terreus. At pH 7.0, the logarithm of the bimolecular oxidation rate constants appeared to depend on the redox potentials of all the mediators tested. Notably, the rate constant of each molecule for FAD-GDH was approximately 2.5 orders of magnitude higher than that for glucose oxidase from Aspergillus sp. The results suggest that the electron transfer kinetics is mainly determined by the formal potential of the mediator, the driving force of electron transfer, and the electron transfer distance between the redox active site of the mediator and the FAD, affected by the steric or chemical interactions. Higher k2 values were found for ortho-quinones than for para-quinones in the reactions with FAD-GDH and glucose oxidase, which was likely due to less steric hindrance in the active site in the case of the ortho-quinones.

  16. MO-D-213-05: Sensitivity of Routine IMRT QA Metrics to Couch and Collimator Rotations

    International Nuclear Information System (INIS)

    Alaei, P

    2015-01-01

    Purpose: To assess the sensitivity of gamma index and other IMRT QA metrics to couch and collimator rotations. Methods: Two brain IMRT plans with couch and/or collimator rotations in one or more of the fields were evaluated using the IBA MatriXX ion chamber array and its associated software (OmniPro-I’mRT). The plans were subjected to routine QA by 1) Creating a composite planar dose in the treatment planning system (TPS) with the couch/collimator rotations and 2) Creating the planar dose after “zeroing” the rotations. Plan deliveries to MatriXX were performed with all rotations set to zero on a Varian 21ex linear accelerator. This in effect created TPS-created planar doses with an induced rotation error. Point dose measurements for the delivered plans were also performed in a solid water phantom. Results: The IMRT QA of the plans with couch and collimator rotations showed clear discrepancies in the planar dose and 2D dose profile overlays. The gamma analysis, however, did pass with the criteria of 3%/3mm (for 95% of the points), albeit with a lower percentage pass rate, when one or two of the fields had a rotation. Similar results were obtained with tighter criteria of 2%/2mm. Other QA metrics such as percentage difference or distance-to-agreement (DTA) histograms produced similar results. The point dose measurements did not obviously indicate the error due to location of dose measurement (on the central axis) and the size of the ion chamber used (0.6 cc). Conclusion: Relying on Gamma analysis, percentage difference, or DTA to determine the passing of an IMRT QA may miss critical errors in the plan delivery due to couch/collimator rotations. A combination of analyses for composite QA plans, or per-beam analysis, would detect these errors

  17. Solid state oxidation of phenols to quinones with sodium perborate on wet montmorillonite K10

    Energy Technology Data Exchange (ETDEWEB)

    Hashemi, Mohammed M.; Eftekhari-Sis, Bagher; Khalili, Behzad; Karimi-Jaberi, Zahed [Sharif University of Technology, Tehran (Iran, Islamic Republic of). Dept. of Chemistry]. E-mail: mhashemi@sharif.edu

    2005-09-15

    Phenols were oxidized to quinones using sodium perborate (SPB) on wet montmorillonite as oxidant. The reaction was carried out at ambient temperature on the solid phase under solvent free conditions. (author)

  18. Solid state oxidation of phenols to quinones with sodium perborate on wet montmorillonite K10

    International Nuclear Information System (INIS)

    Hashemi, Mohammed M.; Eftekhari-Sis, Bagher; Khalili, Behzad; Karimi-Jaberi, Zahed

    2005-01-01

    Phenols were oxidized to quinones using sodium perborate (SPB) on wet montmorillonite as oxidant. The reaction was carried out at ambient temperature on the solid phase under solvent free conditions. (author)

  19. A prototype hybrid 7π quinone-fused 1,3,2-dithiazolyl radical.

    Science.gov (United States)

    Decken, A; Mailman, A; Passmore, J; Rautiainen, J M; Scherer, W; Scheidt, E-W

    2011-01-28

    Reaction of 1,4-naphthoquinone and SNSMF(6) (M = As, Sb) in SO(2) solution in a 1 : 2 molar ratio led to the naphthoquinone fused 1,3,2-dithiazolylium salts, 3MF(6) quantitatively by multinuclear NMR (87% isolated yield of 3SbF(6)) via the cycloaddition and oxidative dehydrogenation chemistry of SNS(+) with formation of NH(4)SbF(6) and S(8). The product 3SbF(6) was fully characterized by IR, Raman, multinuclear {(1)H, (13)C, (14)N} NMR, elemental analysis, cyclic voltammetry and single crystal X-ray crystallography. The reduction of 3SbF(6) with ferrocene (Cp(2)Fe) in refluxing acetonitrile (CH(3)CN) led to the first isolation of a fused quinone-thiazyl radical, 3˙ in 73% yield. The prototype hybrid quinone-thiazyl radical 3˙ was fully characterized by IR, Raman microscopy, EI-MS, elemental analysis, solution and solid state EPR, magnetic susceptibility (2-370 K) and was found to form π*-π* dimers in the solid state as determined by single crystal X-ray crystallography. Furthermore, the thermal decomposition of 3˙ led to a novel quinone-fused 1,2,3,4-tetrathiine, 10 (x = 2) and the known 1,2,5-thiadiazole, 11. The energetics of the cycloadditon and oxidative dehydrogenation chemistry of SNS(+) and 1,4-naphthoquinone leading to 3SbF(6) were estimated in the gas phase and SO(2) solution by DFT calculations (PBE0/6-311G(d)) and lattice enthalpies obtained by the volume based thermodynamic (VBT) approach in the solid state. The gas phase ion energetics (ionization potential (IP) and electron affinity (EA)) of 3˙ are compared to related 1,3,2- and 1,2,3-dithiazolyl radicals.

  20. SU-F-T-558: ArcCheck for Patient Specific QA in Stereotactic Ablative Radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Ramachandran, P [Peter MacCallum Cancer Centre, Melbourne (Australia); RMIT University, Bundoora (Australia); Tajaldeen, A; Esen, N; Geso, M [RMIT University, Bundoora (Australia); Taylor, D; Wanigaratne, D; Roozen, K; Kron, T [Peter MacCallum Cancer Centre, Melbourne (Australia)

    2016-06-15

    Purpose: Stereotactic Ablative Radiotherapy (SABR) is one of the most preferred treatment techniques for early stage lung cancer. This technique has been extended to other treatment sites like Spine, Liver, Scapula, Sternum etc., This has resulted in increased physics QA time on machine. In this study, we’ve tested the feasibility of using ArcCheck as an alternative method to replace film dosimetry. Methods: Twelve patients with varied diagnosis of Lung, Liver, scapula, sternum and Spine undergoing SABR were selected for this study. Pre-treatment QA was performed for all the patients which include ionization chamber and film dosimetry. The required gamma criteria for each SABR plan to pass QA and proceed to treatment is 95% (3%,1mm). In addition to this routine process, the treatment plans were exported on to an ArcCheck phantom. The planned and measured dose from the ArcCheck device were compared using four different gamma criteria: 2%,2 mm, 3%,2 mm, 3%,1 mm and 3%, 3 mm. In addition to this, we’ve also introduced errors to gantry, collimator and couch angle to assess sensitivity of the ArcCheck with potential delivery errors. Results: The ArcCheck mean passing rates for all twelve cases were 76.1%±9.7% for gamma criteria 3%,1 mm, 89.5%±5.3% for 2%,2 mm, 92.6%±4.2% for 3%,2 mm, and 97.6%±2.4% for 3%,3 mm gamma criteria. When SABR spine cases are excluded, we observe ArcCheck passing rates higher than 95% for all the studied cases with 3%, 3mm, and ArcCheck results in acceptable agreement with the film gamma results. Conclusion: Our ArcCheck results at 3%, 3 mm were found to correlate well with our non-SABR spine routine patient specific QA results (3%,1 mm). We observed significant reduction in QA time on using ArcCheck for SABR QA. This study shows that ArcCheck could replace film dosimetry for all sites except SABR spine.

  1. SU-F-T-558: ArcCheck for Patient Specific QA in Stereotactic Ablative Radiotherapy

    International Nuclear Information System (INIS)

    Ramachandran, P; Tajaldeen, A; Esen, N; Geso, M; Taylor, D; Wanigaratne, D; Roozen, K; Kron, T

    2016-01-01

    Purpose: Stereotactic Ablative Radiotherapy (SABR) is one of the most preferred treatment techniques for early stage lung cancer. This technique has been extended to other treatment sites like Spine, Liver, Scapula, Sternum etc., This has resulted in increased physics QA time on machine. In this study, we’ve tested the feasibility of using ArcCheck as an alternative method to replace film dosimetry. Methods: Twelve patients with varied diagnosis of Lung, Liver, scapula, sternum and Spine undergoing SABR were selected for this study. Pre-treatment QA was performed for all the patients which include ionization chamber and film dosimetry. The required gamma criteria for each SABR plan to pass QA and proceed to treatment is 95% (3%,1mm). In addition to this routine process, the treatment plans were exported on to an ArcCheck phantom. The planned and measured dose from the ArcCheck device were compared using four different gamma criteria: 2%,2 mm, 3%,2 mm, 3%,1 mm and 3%, 3 mm. In addition to this, we’ve also introduced errors to gantry, collimator and couch angle to assess sensitivity of the ArcCheck with potential delivery errors. Results: The ArcCheck mean passing rates for all twelve cases were 76.1%±9.7% for gamma criteria 3%,1 mm, 89.5%±5.3% for 2%,2 mm, 92.6%±4.2% for 3%,2 mm, and 97.6%±2.4% for 3%,3 mm gamma criteria. When SABR spine cases are excluded, we observe ArcCheck passing rates higher than 95% for all the studied cases with 3%, 3mm, and ArcCheck results in acceptable agreement with the film gamma results. Conclusion: Our ArcCheck results at 3%, 3 mm were found to correlate well with our non-SABR spine routine patient specific QA results (3%,1 mm). We observed significant reduction in QA time on using ArcCheck for SABR QA. This study shows that ArcCheck could replace film dosimetry for all sites except SABR spine.

  2. A physiological threshold for protection against menadione toxicity by human NAD(P)H : quinone oxidoreductase (NQO1) in Chinese hamster ovary (CHO) cells

    NARCIS (Netherlands)

    Haan, de L.H.J.; Boerboom, A.M.J.F.; Rietjens, I.M.C.M.; Capelle, van D.; Ruijter, de A.J.M.; Jaiswal, A.K.; Aarts, J.M.M.J.G.

    2002-01-01

    NAD(P)H:quinone oxidoreductase 1 (NQO1) has often been suggested to be involved in cancer prevention by means of detoxification of electrophilic quinones. In the present study, a series of Chinese hamster ovary (CHO) cell lines expressing various elevated levels of human NQO1 were generated by

  3. A rhodanine flanked nonfullerene acceptor for solution-processed organic photovoltaics

    KAUST Repository

    Holliday, Sarah

    2015-01-21

    A novel small molecule, FBR, bearing 3-ethylrhodanine flanking groups was synthesized as a nonfullerene electron acceptor for solution-processed bulk heterojunction organic photovoltaics (OPV). A straightforward synthesis route was employed, offering the potential for large scale preparation of this material. Inverted OPV devices employing poly(3-hexylthiophene) (P3HT) as the donor polymer and FBR as the acceptor gave power conversion efficiencies (PCE) up to 4.1%. Transient and steady state optical spectroscopies indicated efficient, ultrafast charge generation and efficient photocurrent generation from both donor and acceptor. Ultrafast transient absorption spectroscopy was used to investigate polaron generation efficiency as well as recombination dynamics. It was determined that the P3HT:FBR blend is highly intermixed, leading to increased charge generation relative to comparative devices with P3HT:PC60BM, but also faster recombination due to a nonideal morphology in which, in contrast to P3HT:PC60BM devices, the acceptor does not aggregate enough to create appropriate percolation pathways that prevent fast nongeminate recombination. Despite this nonoptimal morphology the P3HT:FBR devices exhibit better performance than P3HT:PC60BM devices, used as control, demonstrating that this acceptor shows great promise for further optimization.

  4. Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

    KAUST Repository

    Nielsen, Christian B.

    2015-10-27

    The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted to optimize the absorbing, energetic, and transport properties of the donor material, fullerenes remain as the exclusive electron acceptor in all high performance devices. Very recently, some new non-fullerene acceptors have been demonstrated to outperform fullerenes in comparative devices. This Account describes this progress, discussing molecular design considerations and the structure–property relationships that are emerging. The motivation to replace fullerene acceptors stems from their synthetic inflexibility, leading to constraints in manipulating frontier energy levels, as well as poor absorption in the solar spectrum range, and an inherent tendency to undergo postfabrication crystallization, resulting in device instability. New acceptors have to address these limitations, providing tunable absorption with high extinction coefficients, thus contributing to device photocurrent. The ability to vary and optimize the lowest unoccupied molecular orbital (LUMO) energy level for a specific donor polymer is also an important requirement, ensuring minimal energy loss on electron transfer and as high an internal voltage as possible. Initially perylene diimide acceptors were evaluated as promising acceptor materials. These electron deficient aromatic molecules can exhibit good electron transport, facilitated by close packed herringbone crystal motifs, and their energy levels can be synthetically tuned. The principal drawback of this class of materials, their tendency to crystallize on too large a length scale for an optimal heterojunction nanostructure, has been shown to be overcome through introduction of conformation twisting through steric effects. This has been primarily achieved by coupling two units together, forming dimers

  5. Quinones as dienophiles in the Diels-Alder reaction: history and applications in total synthesis.

    Science.gov (United States)

    Nawrat, Christopher C; Moody, Christopher J

    2014-02-17

    In the canon of reactions available to the organic chemist engaged in total synthesis, the Diels-Alder reaction is among the most powerful and well understood. Its ability to rapidly generate molecular complexity through the simultaneous formation of two carbon-carbon bonds is almost unrivalled, and this is reflected in the great number of reported applications of this reaction. Historically, the use of quinones as dienophiles is highly significant, being the very first example investigated by Diels and Alder. Herein, we review the application of the Diels-Alder reaction of quinones in the total synthesis of natural products. The highlighted examples span some 60 years from the landmark syntheses of morphine (1952) and reserpine (1956) by Gates and Woodward, respectively, through to the present day examples, such as the tetracyclines. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Studies on a Q/A selector for the SECRAL electron cyclotron resonance ion source.

    Science.gov (United States)

    Yang, Y; Sun, L T; Feng, Y C; Fang, X; Lu, W; Zhang, W H; Cao, Y; Zhang, X Z; Zhao, H W

    2014-08-01

    Electron cyclotron resonance ion sources are widely used in heavy ion accelerators in the world because they are capable of producing high current beams of highly charged ions. However, the design of the Q/A selector system for these devices is challenging, because it must have a sufficient ion resolution while controlling the beam emittance growth. Moreover, this system has to be matched for a wide range of ion beam species with different intensities. In this paper, research on the Q/A selector system at the SECRAL (Superconducting Electron Cyclotron Resonance ion source with Advanced design in Lanzhou) platform both in experiment and simulation is presented. Based on this study, a new Q/A selector system has been designed for SECRAL II. The features of the new design including beam simulations are also presented.

  7. Electrochemistry of potentially bioreductive alkylating quinones. Part 3. Quantitative structure-electrochemistry relationships of aziridinylquinones

    NARCIS (Netherlands)

    Driebergen, R.J.; Moret, E.E.; Janssen, L.H.M.; Blauw, J.S.; Holthuis, J.J.M.; Postma kelder, S.J.; Verboom, Willem; Reinhoudt, David; van der Linden, W.E.

    1992-01-01

    The concept of bioreductive alkylation as a mechanism of action of aziridinylquinoid anticancer agents has been investigated by the use of electrochemical techniques. Properly substituted aziridinylquinones are activated by an electrochemical step (reduction of the quinone function), followed by

  8. SU-E-J-52: Decreasing Frequency of Performing TG-142 Imaging QA – 5 Year Experience

    International Nuclear Information System (INIS)

    Lin, T; Ma, C

    2015-01-01

    Purpose This study is an update to check if the frequency of imaging QA suggested by AAPM Task Group Report 142 (TG142) is necessary with our 5 year experience. TG142 presents recommendations for QA criteria of IGRT treatment. ACR has adopted it to be the requirements for any radiatiotherapy practices; however, we propose to reduce the frequency on image quality QA according to this 5 year study.Method and Materials: This study uses VarianIX2100 and Siemens Artiste Linacs to perform QAs on KV, MV, CBCT modalities. The QA was designed following under the recommendations of TG142. This study reports the daily imaging positioning/repositioning and imaging and treatment coordinate coincidence. QA results on kV, MV and CBCT from 4/7/2010∼3/11/15 are analyzed. KV, MV, CBCT images are taken with the Varian isocube localized at the isocenter. Digital graticule is used in the software to verify the isocenter position. CBCT images are taken with the cube placed at 1cm superior, lateral and anterior of the isocenter. In-line fusion software is used to verify the contrived shift. Digital ruler provided at the on-board-imaging software or adaptive-targeting software was used to measure the position differences. The position differences were recorded at AP,LR,SI directions. Results 5 year records on kV, MV, CBCT show the shifts in all three directions are within the tolerance of 1mm suggested in TG142 for stereotactic radiation treatment(SRS/SRT). There is no occasion where shifts are outside 1mm tolerance. Conclusions The daily imaging QA suggested in TG142 is useful in ensuring the accuracy needed for SRS/SRT in IGRT. 5 year measurements presented suggest that decreasing the frequency of imaging QA may be acceptable, in particular for institutions reporting no violation of tolerance over periods of few years

  9. SU-E-J-52: Decreasing Frequency of Performing TG-142 Imaging QA – 5 Year Experience

    Energy Technology Data Exchange (ETDEWEB)

    Lin, T; Ma, C [Fox Chase Cancer Center, Philadelphia, PA (United States)

    2015-06-15

    Purpose This study is an update to check if the frequency of imaging QA suggested by AAPM Task Group Report 142 (TG142) is necessary with our 5 year experience. TG142 presents recommendations for QA criteria of IGRT treatment. ACR has adopted it to be the requirements for any radiatiotherapy practices; however, we propose to reduce the frequency on image quality QA according to this 5 year study.Method and Materials: This study uses VarianIX2100 and Siemens Artiste Linacs to perform QAs on KV, MV, CBCT modalities. The QA was designed following under the recommendations of TG142. This study reports the daily imaging positioning/repositioning and imaging and treatment coordinate coincidence. QA results on kV, MV and CBCT from 4/7/2010∼3/11/15 are analyzed. KV, MV, CBCT images are taken with the Varian isocube localized at the isocenter. Digital graticule is used in the software to verify the isocenter position. CBCT images are taken with the cube placed at 1cm superior, lateral and anterior of the isocenter. In-line fusion software is used to verify the contrived shift. Digital ruler provided at the on-board-imaging software or adaptive-targeting software was used to measure the position differences. The position differences were recorded at AP,LR,SI directions. Results 5 year records on kV, MV, CBCT show the shifts in all three directions are within the tolerance of 1mm suggested in TG142 for stereotactic radiation treatment(SRS/SRT). There is no occasion where shifts are outside 1mm tolerance. Conclusions The daily imaging QA suggested in TG142 is useful in ensuring the accuracy needed for SRS/SRT in IGRT. 5 year measurements presented suggest that decreasing the frequency of imaging QA may be acceptable, in particular for institutions reporting no violation of tolerance over periods of few years.

  10. In vivo relevance of two critical levels for NAD(P)H:quinone oxidoreductase (NQO1)-mediated cellular protection against electrophile toxicity found in vitro

    NARCIS (Netherlands)

    Haan, de L.H.J.; Pot, G.K.; Aarts, J.M.M.J.G.; Rietjens, I.M.C.M.; Alink, G.M.

    2006-01-01

    NAD(P)H:quinone oxidoreductase (NQO1)-mediated detoxification of quinones is suggested to be involved in cancer prevention. In the present study, using transfected CHO cells, it was demonstrated that the relation between NQO1 activity and the resulting protection against the cytotoxicity of

  11. Atmospheric Distribution of PAHs and Quinones in the Gas and PM1 Phases in the Guadalajara Metropolitan Area, Mexico: Sources and Health Risk

    Directory of Open Access Journals (Sweden)

    Valeria Ojeda-Castillo

    2018-04-01

    Full Text Available Polycyclic aromatic hydrocarbons (PAHs and quinones in the gas phase and as submicron particles raise concerns due to their potentially carcinogenic and mutagenic properties. The majority of existing studies have investigated the formation of quinones, but it is also important to consider both the primary and secondary sources to estimate their contributions. The objectives of this study were to characterize PAHs and quinones in the gas and particulate matter (PM1 phases in order to identify phase distributions, sources, and cancer risk at two urban monitoring sites in the Guadalajara Metropolitan Area (GMA in Mexico. The simultaneous gas and PM1 phases samples were analyzed using a gas chromatography–mass spectrometer. The lifetime lung cancer risk (LCR due to PAH exposure was calculated to be 1.7 × 10−3, higher than the recommended risk value of 10−6, indicating a potential health hazard. Correlations between parent PAHs, criteria pollutants, and meteorological parameters suggest that primary sources are the main contributors to the Σ8 Quinones concentrations in PM1, while the secondary formation of 5,12-naphthacenequinone and 9,10-anthraquinone may contribute less to the observed concentration of quinones. Additionally, naphthalene, acenaphthene, fluorene, phenanthrene, and anthracene in PM1, suggest photochemical degradation into unidentified species. Further research is needed to determine how these compounds are formed.

  12. 40 CFR 98.164 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... Methods for Instrumental Determination of Carbon, Hydrogen, and Nitrogen in Petroleum Products and... Determination of Carbon, Hydrogen, and Nitrogen in Laboratory Samples of Coal (incorporated by reference, see... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Hydrogen Production § 98.164 Monitoring and QA/QC requirements...

  13. Non-fullerene acceptors for organic solar cells

    Science.gov (United States)

    Yan, Cenqi; Barlow, Stephen; Wang, Zhaohui; Yan, He; Jen, Alex K.-Y.; Marder, Seth R.; Zhan, Xiaowei

    2018-03-01

    Non-fullerene acceptors (NFAs) are currently a major focus of research in the development of bulk-heterojunction organic solar cells (OSCs). In contrast to the widely used fullerene acceptors (FAs), the optical properties and electronic energy levels of NFAs can be readily tuned. NFA-based OSCs can also achieve greater thermal stability and photochemical stability, as well as longer device lifetimes, than their FA-based counterparts. Historically, the performance of NFA OSCs has lagged behind that of fullerene devices. However, recent developments have led to a rapid increase in power conversion efficiencies for NFA OSCs, with values now exceeding 13%, demonstrating the viability of using NFAs to replace FAs in next-generation high-performance OSCs. This Review discusses the important work that has led to this remarkable progress, focusing on the two most promising NFA classes to date: rylene diimide-based materials and materials based on fused aromatic cores with strong electron-accepting end groups. The key structure-property relationships, donor-acceptor matching criteria and aspects of device physics are discussed. Finally, we consider the remaining challenges and promising future directions for the NFA OSCs field.

  14. Estimation of eye lens dose during brain scans using Gafchromic XR-QA2 film in various multidetector CT scanners

    International Nuclear Information System (INIS)

    Akhilesh, Philomina; Jamhale, Shramika H.; Sharma, S.D.; Kumar, Rajesh; Datta, D.; Kulkarni, Arti R.

    2017-01-01

    The purpose of this study was to estimate eye lens dose during brain scans in 16-, 64-, 128- and 256-slice multidetector computed tomography (CT) scanners in helical acquisition mode and to test the feasibility of using radiochromic film as eye lens dosemeter during CT scanning. Eye lens dose measurements were performed using Gafchromic XR-QA2 film on a polystyrene head phantom designed with outer dimensions equivalent to the head size of a reference Indian man. The response accuracy of XR-QA2 film was validated by using thermoluminescence dosemeters. The eye lens dose measured using XR-QA2 film on head phantom for plain brain scanning in helical mode ranged from 43.8 to 45.8 mGy. The XR-QA2 film measured dose values were in agreement with TLD measured dose values within a maximum variation of 8.9%. The good correlation between the two data sets confirms the viability of using XR-QA2 film for eye lens dosimetry. (authors)

  15. SU-F-T-182: A Stochastic Approach to Daily QA Tolerances On Spot Properties for Proton Pencil Beam Scanning

    International Nuclear Information System (INIS)

    St James, S; Bloch, C; Saini, J

    2016-01-01

    Purpose: Proton pencil beam scanning is used clinically across the United States. There are no current guidelines on tolerances for daily QA specific to pencil beam scanning, specifically related to the individual spot properties (spot width). Using a stochastic method to determine tolerances has the potential to optimize tolerances on individual spots and decrease the number of false positive failures in daily QA. Individual and global spot tolerances were evaluated. Methods: As part of daily QA for proton pencil beam scanning, a field of 16 spots (corresponding to 8 energies) is measured using an array of ion chambers (Matrixx, IBA). Each individual spot is fit to two Gaussian functions (x,y). The spot width (σ) in × and y are recorded (32 parameters). Results from the daily QA were retrospectively analyzed for 100 days of data. The deviations of the spot widths were histogrammed and fit to a Gaussian function. The stochastic spot tolerance was taken to be the mean ± 3σ. Using these results, tolerances were developed and tested against known deviations in spot width. Results: The individual spot tolerances derived with the stochastic method decreased in 30/32 instances. Using the previous tolerances (± 20% width), the daily QA would have detected 0/20 days of the deviation. Using a tolerance of any 6 spots failing the stochastic tolerance, 18/20 days of the deviation would have been detected. Conclusion: Using a stochastic method we have been able to decrease daily tolerances on the spot widths for 30/32 spot widths measured. The stochastic tolerances can lead to detection of deviations that previously would have been picked up on monthly QA and missed by daily QA. This method could be easily extended for evaluation of other QA parameters in proton spot scanning.

  16. Improvement in QA protocol for TLD based personnel monitoring laboratory in last five year

    International Nuclear Information System (INIS)

    Rakesh, R.B.

    2018-01-01

    The Quality Assurance (QA) in Personnel monitoring (PM) is a tool to assess the performance of PM laboratories and reliability of dose estimation with respect to standards laid down by international agencies such as IAEA (ISO trumpet curve), IEC, ANSI etc. Reliable personal dose estimation is a basic requirement for radiation protection planning as well as decision making continuous improvement in radiation protection is inherent in radiation protection practices which is highly dependent on accuracy and reliability of the monitoring data. Experience based evolution of Quality control (QC) measures as well as Quality assurance (QA) protocol are two important aspects towards continuous improvement in accuracy and reliability of personnel monitoring results. The paper describes improvement in QC measures and QA protocols initiated during the last five years which led to improvement in the quality of PM services

  17. Conventional patient specific IMRT QA and 3DVH verification of dose distribution for helical tomotherapy

    International Nuclear Information System (INIS)

    Sharma, Prabhat Krishna; Joshi, Kishore; Epili, D.; Gavake, Umesh; Paul, Siji; Reena, Ph.; Jamema, S.V.

    2016-01-01

    In recent years, patient-specific IMRT QA has transitioned from point dose measurements by ion chambers to films to 2D array measurements. 3DVH software has taken this transition a step further by estimating the 3D dose delivered to the patient volume from 2D diode measurements using a planned dose perturbation (PDP) algorithm. This algorithm was developed to determine, if the conventional IMRT QA though sensitive at detecting errors, has any predictive power in detecting dose errors of clinical significance related to dose to the target volume and organs at risk (OAR). The aim of this study is to compare the conventional IMRT patient specific QA and 3DVH dose distribution for patients treated with helical tomotherapy (HT)

  18. QA [quality assurance] at Fermilab; the hermeneutics of NQA-1

    International Nuclear Information System (INIS)

    Bodnarczuk, M.

    1988-06-01

    This paper opens with a brief overview of the purpose of Fermilab and a historical synopsis of the development and current status of quality assurance (QA) at the Laboratory. The paper subsequently addresses some of the more important aspects of interpreting the national standard ANSI/ASME NQA-1 in pure research environments like Fermilab. Highlights of this discussion include, what is hermeneutics and why are hermeneutical considerations relevant for QA, a critical analysis of NQA-1 focussing on teleological aspects of the standard, a description of the hermeneutical approach to NQA-1 used at Fermilab which attempts to capture the true intents of the document without violating the deeply ingrained traditions of quality standards and peer review that have been foundational to the overall success of the paradigms of high-energy physics

  19. QA (quality assurance) at Fermilab; the hermeneutics of NQA-1

    Energy Technology Data Exchange (ETDEWEB)

    Bodnarczuk, M.

    1988-06-01

    This paper opens with a brief overview of the purpose of Fermilab and a historical synopsis of the development and current status of quality assurance (QA) at the Laboratory. The paper subsequently addresses some of the more important aspects of interpreting the national standard ANSI/ASME NQA-1 in pure research environments like Fermilab. Highlights of this discussion include, what is hermeneutics and why are hermeneutical considerations relevant for QA, a critical analysis of NQA-1 focussing on teleological aspects of the standard, a description of the hermeneutical approach to NQA-1 used at Fermilab which attempts to capture the true intents of the document without violating the deeply ingrained traditions of quality standards and peer review that have been foundational to the overall success of the paradigms of high-energy physics.

  20. 40 CFR 98.414 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98.414 Section 98.414 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Suppliers of Industrial Greenhouse Gases § 98.414 Monitoring...

  1. 40 CFR 98.214 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98.214 Section 98.214 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS... standard method or other enhanced industry consensus standard method published by an industry consensus...

  2. A community Q&A for HEP Software and Computing ?

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    How often do you use StackOverflow or ServerFault to find information in your daily work? Would you be interested in a community Q&A site for HEP Software and Computing, for instance a dedicated StackExchange site? I looked into this question...

  3. Q&A: Grace Anne Koppel, Living Well with COPD

    Science.gov (United States)

    ... their own lives back is the most rewarding thing we have ever done. Read More "The Challenge of COPD" Articles Q&A: Grace Anne Koppel, Living Well with COPD / What is COPD? / What Causes COPD? / Getting Tested / Am I at Risk? / COPD Quiz Fall ...

  4. Selective Alkylation of C-Rich Bulge Motifs in Nucleic Acids by Quinone Methide Derivatives.

    Science.gov (United States)

    Lönnberg, Tuomas; Hutchinson, Mark; Rokita, Steven

    2015-09-07

    A quinone methide precursor featuring a bis-cyclen anchoring moiety has been synthesized and its capacity to alkylate oligonucleotide targets quantified in the presence and absence of divalent metal ions (Zn(2+) , Ni(2+) and Cd(2+) ). The oligonucleotides were designed for testing the sequence and secondary structure specificity of the reaction. Gel electrophoretic analysis revealed predominant alkylation of C-rich bulges, regardless of the presence of divalent metal ions or even the bis-cyclen anchor. This C-selectivity appears to be an intrinsic property of the quinone methide electrophile as reflected by its reaction with an equimolar mixture of the 2'-deoxynucleosides. Only dA-N1 and dC-N3 alkylation products were detected initially and only the dC adduct persisted for detection under conditions of the gel electrophoretic analysis. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. The GSPC: Newest Franchise in al-Qa'ida's Global Jihad

    National Research Council Canada - National Science Library

    Boudali, Lianne K

    2007-01-01

    .... Some observers have speculated that North Africa may be the next safe haven for al Qa ida, and that European countries may face a greater risk of attack if Algerian terrorist groups expand their base...

  6. COMPARISON OF ACCEPTOR PROPERTIES FOR INTERACTION ...

    African Journals Online (AJOL)

    Preferred Customer

    determined by UV-Vis titration method for the adducts. Surprisingly, the ... Interaction of. TCNE and DDQ as π-acceptors with hydrocarbon donors such as cycloalkanes, alkenes, ... obtained from a Shimadzu GC-MS model QP5050 instrument.

  7. Simulation study on the effects of chemical structure and molecular size on the acceptor strength in poly(3-hexylthiophene)-based copolymer with alternating donor and acceptor for photovoltaic applications

    Science.gov (United States)

    Rassamesard, Areefen; Pengpan, Teparksorn

    2017-02-01

    This research assessed the effects of various chemical structures and molecular sizes on the simulated geometric parameters, electron structures, and spectroscopic properties of single-chain complex alternating donor-acceptor (D-A) monomers and copolymers that are intended for use as photoactive layer in a polymer solar cell by using Kohn-Sham density functional theory with B3LYP exchange-correlation functional. The 3-hexylthiophene (3HT) was selected for electron donor, while eight chemicals, namely thiazole (Z), thiadiazole (D), thienopyrazine (TP), thienothiadiazole (TD), benzothiadiazole (BT), thiadiazolothieno-pyrazine (TPD), oxadiazole (OXD) and 5-diphenyl-1,2,4-triazole (TAZ), were employed as electron acceptor functional groups. The torsional angle, bridge bond length, intramolecular charge transfer, energy levels, and molecular orbitals were analyzed. The simulation results reveal that the geometry and electron structure of donor-acceptor monomer and copolymer are significantly impacted by heterocyclic rings, heteroatoms, fused rings, degree of steric hindrance and coplanarity of the acceptor molecular structure. Planar conformation was obtained from the D copolymer, and a pseudo-planar structure with the TD copolymer. The TAZ acceptor exhibited strong steric hindrance due to its bulky structure and non-planarity of its structure. An analysis of the electron structures indicated that the degree of intramolecular electron-withdrawing capability had the rank order TAZ  gaps of TD as well as TPD copolymer indicate that these two copolymers can be used in transparent conducting materials. The copolymer based on BT acceptor exhibited good intramolecular charge transfer and absorbed at 656 nm wavelength which is close to the maximum flux of solar spectrum. Hence, the BT acceptor functional group provides a compromise in the characteristics of a donor-acceptor copolymer, useful in a polymeric candidate material for the photoactive layer in a polymer solar

  8. MO-PIS-Exhibit Hall-01: Tools for TG-142 Linac Imaging QA I

    International Nuclear Information System (INIS)

    Clements, M; Wiesmeyer, M

    2014-01-01

    Partners in Solutions is an exciting new program in which AAPM partners with our vendors to present practical “hands-on” information about the equipment and software systems that we use in our clinics. The therapy topic this year is solutions for TG-142 recommendations for linear accelerator imaging QA. Note that the sessions are being held in a special purpose room built on the Exhibit Hall Floor, to encourage further interaction with the vendors. Automated Imaging QA for TG-142 with RIT Presentation Time: 2:45 – 3:15 PM This presentation will discuss software tools for automated imaging QA and phantom analysis for TG-142. All modalities used in radiation oncology will be discussed, including CBCT, planar kV imaging, planar MV imaging, and imaging and treatment coordinate coincidence. Vendor supplied phantoms as well as a variety of third-party phantoms will be shown, along with appropriate analyses, proper phantom setup procedures and scanning settings, and a discussion of image quality metrics. Tools for process automation will be discussed which include: RIT Cognition (machine learning for phantom image identification), RIT Cerberus (automated file system monitoring and searching), and RunQueueC (batch processing of multiple images). In addition to phantom analysis, tools for statistical tracking, trending, and reporting will be discussed. This discussion will include an introduction to statistical process control, a valuable tool in analyzing data and determining appropriate tolerances. An Introduction to TG-142 Imaging QA Using Standard Imaging Products Presentation Time: 3:15 – 3:45 PM Medical Physicists want to understand the logic behind TG-142 Imaging QA. What is often missing is a firm understanding of the connections between the EPID and OBI phantom imaging, the software “algorithms” that calculate the QA metrics, the establishment of baselines, and the analysis and interpretation of the results. The goal of our brief presentation will be to

  9. MO-PIS-Exhibit Hall-01: Tools for TG-142 Linac Imaging QA I

    Energy Technology Data Exchange (ETDEWEB)

    Clements, M [RAD Image, Colorado Springs, CO (United States); Wiesmeyer, M [Standard Imaging, Inc., Middleton, WI (United States)

    2014-06-15

    Partners in Solutions is an exciting new program in which AAPM partners with our vendors to present practical “hands-on” information about the equipment and software systems that we use in our clinics. The therapy topic this year is solutions for TG-142 recommendations for linear accelerator imaging QA. Note that the sessions are being held in a special purpose room built on the Exhibit Hall Floor, to encourage further interaction with the vendors. Automated Imaging QA for TG-142 with RIT Presentation Time: 2:45 – 3:15 PM This presentation will discuss software tools for automated imaging QA and phantom analysis for TG-142. All modalities used in radiation oncology will be discussed, including CBCT, planar kV imaging, planar MV imaging, and imaging and treatment coordinate coincidence. Vendor supplied phantoms as well as a variety of third-party phantoms will be shown, along with appropriate analyses, proper phantom setup procedures and scanning settings, and a discussion of image quality metrics. Tools for process automation will be discussed which include: RIT Cognition (machine learning for phantom image identification), RIT Cerberus (automated file system monitoring and searching), and RunQueueC (batch processing of multiple images). In addition to phantom analysis, tools for statistical tracking, trending, and reporting will be discussed. This discussion will include an introduction to statistical process control, a valuable tool in analyzing data and determining appropriate tolerances. An Introduction to TG-142 Imaging QA Using Standard Imaging Products Presentation Time: 3:15 – 3:45 PM Medical Physicists want to understand the logic behind TG-142 Imaging QA. What is often missing is a firm understanding of the connections between the EPID and OBI phantom imaging, the software “algorithms” that calculate the QA metrics, the establishment of baselines, and the analysis and interpretation of the results. The goal of our brief presentation will be to

  10. An overview of molecular acceptors for organic solar cells

    Directory of Open Access Journals (Sweden)

    Hudhomme Piétrick

    2013-07-01

    Full Text Available Organic solar cells (OSCs have gained serious attention during the last decade and are now considered as one of the future photovoltaic technologies for low-cost power production. The first dream of attaining 10% of power coefficient efficiency has now become a reality thanks to the development of new materials and an impressive work achieved to understand, control and optimize structure and morphology of the device. But most of the effort devoted to the development of new materials concerned the optimization of the donor material, with less attention for acceptors which to date remain dominated by fullerenes and their derivatives. This short review presents the progress in the use of non-fullerene small molecules and fullerene-based acceptors with the aim of evaluating the challenge for the next generation of acceptors in organic photovoltaics.

  11. 40 CFR 98.394 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98... by a consensus-based standards organization exists, such a method shall be used. Consensus-based... (NAESB). (ii) Where no appropriate standard method developed by a consensus-based standards organization...

  12. 40 CFR 98.424 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98... published by a consensus-based standards organization if such a method exists. Consensus-based standards...). (ii) Where no appropriate standard method developed by a consensus-based standards organization exists...

  13. Experience in the application of the IAEA QA code and guides to the manufacture of nuclear reactor components

    International Nuclear Information System (INIS)

    Dutta, N.G.; Mankame, M.A.; Kulkarni, P.G.; Vijayaraghavan, R.; Balaramamoorthy, K.

    1985-01-01

    India has made considerable progress in the indigenous manufacture of 'Quality' nuclear reactor components. All activities associated with the development of atomic energy from mining of strategic minerals to the design, construction, and operation of nuclear power plants including supporting research and development efforts are mainly carried out by the Department of Atomic Energy (DAE). Through the sustained efforts of DAE, the major industries, both in public and private sectors supplying nuclear components have now adopted the practice of systematic quality assurance (QA). The stringent QA steps are mandatory for achieving the desired quality in the manufactured nuclear components. Control blades for BWRs are now indigenously manufactured by the Atomic Fuels Division (AFD) of Bhabha Atomic Research Centre (BARC), a constituent unit of DAE. For the Project Dhruva, a 100 MW(th) nuclear reactor, constructed at BARC, Trombay, Bombay, an independent cell was formed to carry out quality audit on the manufactured components. The components were designed, fabricated, inspected and tested to the desired quality level. The QA activities were enforced from the procurement of raw materials to the audit of the completed component for monitoring the manufacturer's continued compliance with the design. The major components of Dhruva, viz. calandria, end-shield, coolant channels, heat exchangers, etc., were covered under these quality audit activities. The paper highlights the QA programme implemented in the manufacture of control blades for BWRs, illustrated with a typical example, the end-shield for Dhruva. The authors consider that the recommendations and guidelines provided in the documents 50-SG-QA3, 50-SG-QA8, 50-SG-QA10, etc., were useful in providing a formal and systematic framework, under which various quality assurance functions have been carried out

  14. Characterization of a prototype MR-compatible Delta4 QA-system in a 1.5 tesla MR-linac

    NARCIS (Netherlands)

    de Vries, Wilfred J H; Seravalli, Enrica; Houweling, Anette; Woodings, Simon J; van Rooij, Rob; Wolthaus, Jochem W H; Lagendijk, JJW; Raaymakers, Bas W

    2018-01-01

    To perform patient plan-quality assurance (QA) on the newly installed MR-Linac (MRL) there was a need for having an MR-compatible QA-device. An MR compatible device (MR-Delta4) was developed together with Scandidos AB (Uppsala, Sweden). The basic characteristics of the detector response

  15. SU-F-T-459: ArcCHECK Machine QA : Highly Efficient Quality Assurance Tool for VMAT, SRS & SBRT Linear Accelerator Delivery

    Energy Technology Data Exchange (ETDEWEB)

    Mhatre, V; Patwe, P; Dandekar, P [Sir HN RF Hospital, Mumbai, Maharashtra (India)

    2016-06-15

    Purpose: Quality assurance (QA) of complex linear accelerators is critical and highly time consuming. ArcCHECK Machine QA tool is used to test geometric and delivery aspects of linear accelerator. In this study we evaluated the performance of this tool. Methods: Machine QA feature allows user to perform quality assurance tests using ArcCHECK phantom. Following tests were performed 1) Gantry Speed 2) Gantry Rotation 3) Gantry Angle 4)MLC/Collimator QA 5)Beam Profile Flatness & Symmetry. Data was collected on trueBEAM stX machine for 6 MV for a period of one year. The Gantry QA test allows to view errors in gantry angle, rotation & assess how accurately the gantry moves around the isocentre. The MLC/Collimator QA tool is used to analyze & locate the differences between leaf bank & jaw position of linac. The flatness & Symmetry test quantifies beam flatness & symmetry in IEC-y & x direction. The Gantry & Flatness/Symmetry test can be performed for static & dynamic delivery. Results: The Gantry speed was 3.9 deg/sec with speed maximum deviation around 0.3 deg/sec. The Gantry Isocentre for arc delivery was 0.9mm & static delivery was 0.4mm. The maximum percent positive & negative difference was found to be 1.9 % & – 0.25 % & maximum distance positive & negative diff was 0.4mm & – 0.3 mm for MLC/Collimator QA. The Flatness for Arc delivery was 1.8 % & Symmetry for Y was 0.8 % & X was 1.8 %. The Flatness for gantry 0°,270°,90° & 180° was 1.75,1.9,1.8 & 1.6% respectively & Symmetry for X & Y was 0.8,0.6% for 0°, 0.6,0.7% for 270°, 0.6,1% for 90° & 0.6,0.7% for 180°. Conclusion: ArcCHECK Machine QA is an useful tool for QA of Modern linear accelerators as it tests both geometric & delivery aspects. This is very important for VMAT, SRS & SBRT treatments.

  16. SU-F-T-459: ArcCHECK Machine QA : Highly Efficient Quality Assurance Tool for VMAT, SRS & SBRT Linear Accelerator Delivery

    International Nuclear Information System (INIS)

    Mhatre, V; Patwe, P; Dandekar, P

    2016-01-01

    Purpose: Quality assurance (QA) of complex linear accelerators is critical and highly time consuming. ArcCHECK Machine QA tool is used to test geometric and delivery aspects of linear accelerator. In this study we evaluated the performance of this tool. Methods: Machine QA feature allows user to perform quality assurance tests using ArcCHECK phantom. Following tests were performed 1) Gantry Speed 2) Gantry Rotation 3) Gantry Angle 4)MLC/Collimator QA 5)Beam Profile Flatness & Symmetry. Data was collected on trueBEAM stX machine for 6 MV for a period of one year. The Gantry QA test allows to view errors in gantry angle, rotation & assess how accurately the gantry moves around the isocentre. The MLC/Collimator QA tool is used to analyze & locate the differences between leaf bank & jaw position of linac. The flatness & Symmetry test quantifies beam flatness & symmetry in IEC-y & x direction. The Gantry & Flatness/Symmetry test can be performed for static & dynamic delivery. Results: The Gantry speed was 3.9 deg/sec with speed maximum deviation around 0.3 deg/sec. The Gantry Isocentre for arc delivery was 0.9mm & static delivery was 0.4mm. The maximum percent positive & negative difference was found to be 1.9 % & – 0.25 % & maximum distance positive & negative diff was 0.4mm & – 0.3 mm for MLC/Collimator QA. The Flatness for Arc delivery was 1.8 % & Symmetry for Y was 0.8 % & X was 1.8 %. The Flatness for gantry 0°,270°,90° & 180° was 1.75,1.9,1.8 & 1.6% respectively & Symmetry for X & Y was 0.8,0.6% for 0°, 0.6,0.7% for 270°, 0.6,1% for 90° & 0.6,0.7% for 180°. Conclusion: ArcCHECK Machine QA is an useful tool for QA of Modern linear accelerators as it tests both geometric & delivery aspects. This is very important for VMAT, SRS & SBRT treatments.

  17. DeepQA: Improving the estimation of single protein model quality with deep belief networks

    OpenAIRE

    Cao, Renzhi; Bhattacharya, Debswapna; Hou, Jie; Cheng, Jianlin

    2016-01-01

    Background Protein quality assessment (QA) useful for ranking and selecting protein models has long been viewed as one of the major challenges for protein tertiary structure prediction. Especially, estimating the quality of a single protein model, which is important for selecting a few good models out of a large model pool consisting of mostly low-quality models, is still a largely unsolved problem. Results We introduce a novel single-model quality assessment method DeepQA based on deep belie...

  18. Beneficial synergistic effects of microdose lithium with pyrroloquinoline quinone in an Alzheimer's disease mouse model.

    Science.gov (United States)

    Zhao, Lei; Gong, Neng; Liu, Meng; Pan, Xiaoli; Sang, Shaoming; Sun, Xiaojing; Yu, Zhe; Fang, Qi; Zhao, Na; Fei, Guoqiang; Jin, Lirong; Zhong, Chunjiu; Xu, Tianle

    2014-12-01

    Alzheimer's disease (AD) is a complicated, neurodegenerative disorder involving multifactorial pathogeneses and still lacks effective clinical treatment. Recent studies show that lithium exerts disease-modifying effects against AD. However, the intolerant side effects at conventional effective dosage limit the clinical use of lithium in treating AD. To explore a novel AD treatment strategy with microdose lithium, we designed and synthesized a new chemical, tri-lithium pyrroloquinoline quinone (Li3PQQ), to study the synergistic effects of low-dose lithium and pyrroloquinoline quinone, a native compound with powerful antioxidation and mitochondrial amelioration. The results showed that Li3PQQ at a relative low dose (6 and 12 mg/kg) exhibited more powerful effects in restoring the impairment of learning and memory, facilitating hippocampal long-term potentiation, and reducing cerebral amyloid deposition and phosphorylated tau level in APP/PS1 transgenic mice than that of lithium chloride at both low and high dose (5 and 100 mg/kg). We further found that Li3PQQ inhibited the activity of glycogen synthase kinase-3 and increased the activity of β-amyloid-binding alcohol dehydrogenase, which might underlie the beneficial effects of Li3PQQ on APP/PS1 transgenic mice. Our study demonstrated the efficacy of a novel AD therapeutic strategy targeting at multiple disease-causing mechanisms through the synergistic effects of microdose lithium and pyrroloquinoline quinone. Copyright © 2014 Elsevier Inc. All rights reserved.

  19. Immunomodulatory Effects of Diterpene Quinone Derivatives from the Roots of Horminum pyrenaicum in Human PBMC

    Directory of Open Access Journals (Sweden)

    K. Becker

    2018-01-01

    Full Text Available Several phytochemicals were shown to interfere with redox biology in the human system. Moreover, redox biochemistry is crucially involved in the orchestration of immunological cascades. When screening for immunomodulatory compounds, the two interferon gamma- (IFN-γ- dependent immunometabolic pathways of tryptophan breakdown via indoleamine 2,3-dioxygenase-1 (IDO-1 and neopterin formation by GTP-cyclohydrolase 1 (GTP-CH-I represent prominent targets, as IFN-γ-related signaling is strongly sensitive to oxidative triggers. Herein, the analysis of these pathway activities in human peripheral mononuclear cells was successfully applied in a bioactivity-guided fractionation strategy to screen for anti-inflammatory substances contained in the root of Horminum (H. pyrenaicum L. (syn. Dragon’s mouth, the only representative of the monophyletic genus Horminum. Four abietane diterpene quinone derivatives (horminone, 7-O-acetylhorminone, inuroyleanol and its 15,16-dehydro-derivative, a novel natural product, two nor-abietane diterpene quinones (agastaquinone and 3-deoxyagastaquinone and two abeo 18 (4 → 3 abietane diterpene quinones (agastol and its 15,16-dehydro-derivative could be identified. These compounds were able to dose-dependently suppress the above mentioned pathways with different potency. Beside the description of new active compounds, this study demonstrates the feasibility of integrating IDO-1 and GTP-CH-I activity in the search for novel anti-inflammatory compounds, which can then be directed towards a more detailed mode of action analysis.

  20. A survey of acceptor dopants for β-Ga2O3

    Science.gov (United States)

    Lyons, John L.

    2018-05-01

    With a wide band gap, high critical breakdown voltage and commercially available substrates, Ga2O3 is a promising material for next-generation power electronics. Like most wide-band-gap semiconductors, obtaining better control over its electrical conductivity is critically important, but has proven difficult to achieve. Although efficient p-type doping in Ga2O3 is not expected, since theory and experiment indicate the self-trapping of holes, the full development of this material will require a better understanding of acceptor dopants. Here the properties of group 2, group 5 and group 12 acceptor impurities in β-Ga2O3 are explored using hybrid density functional calculations. All impurities are found to exhibit acceptor transition levels above 1.3 eV. After examining formation energies as a function of chemical potential, Mg (followed closely by Be) is determined to be the most stable acceptor species.

  1. The assessment report of QA program through the analysis of quality trend in 1994

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Yung Se; Hong, Kyung Sik; Park, Sang Pil; Park, Kun Woo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1995-04-01

    Effectiveness and adequacy of KAERI Qualify Assurance Program is assessed through the analysis of quality trend. As a result of assessment, Quality Assurance System for each project has reached the stage of stabilization, and especially, significant improvement of the conformance to QA procedure, the control of QA Records and documents and the inspiration of quality mind for the job has been made. However, some problems discovered in this trend analysis, ie, improvement of efficiency of quality training and economies of design verification system, are required to take preventive actions and consider appropriate measures. In the future, QA is expected to be a support to assurance of nuclear safety and development of advanced technology by making it possible to establish the best quality system suitable for our situation, based on the assessment method for quality assurance program presented in this study. 5 figs., 30 tabs. (Author).

  2. The assessment report of QA program through the analysis of quality trend in 1994

    International Nuclear Information System (INIS)

    Kim, Yung Se; Hong, Kyung Sik; Park, Sang Pil; Park, Kun Woo

    1995-04-01

    Effectiveness and adequacy of KAERI Qualify Assurance Program is assessed through the analysis of quality trend. As a result of assessment, Quality Assurance System for each project has reached the stage of stabilization, and especially, significant improvement of the conformance to QA procedure, the control of QA Records and documents and the inspiration of quality mind for the job has been made. However, some problems discovered in this trend analysis, ie, improvement of efficiency of quality training and economies of design verification system, are required to take preventive actions and consider appropriate measures. In the future, QA is expected to be a support to assurance of nuclear safety and development of advanced technology by making it possible to establish the best quality system suitable for our situation, based on the assessment method for quality assurance program presented in this study. 5 figs., 30 tabs. (Author)

  3. Synthesis and optoelectronic characterization of some triphenylamine-based compounds containing strong acceptor substituents

    Energy Technology Data Exchange (ETDEWEB)

    Grigoras, Mircea, E-mail: grim@icmpp.ro; Ivan, Teofilia; Vacareanu, Loredana; Catargiu, Ana Maria; Tigoianu, Radu

    2014-09-15

    Three novel triphenylamine-based compounds containing strong electron acceptor groups have been synthesized and their comparative photophysical properties are presented. These compounds were obtained by a two-step method: (i) triphenylamine compounds with one, two and three phenylacetylene arms were synthesized by Sonogashira reaction between iodine-substituted triphenylamines and phenylacetylene, followed by (ii) post-modification of these electron-rich alkynes by addition of the strong electron acceptor, tetracyanoethylene. Characterization of all oligomers was made by FTIR, {sup 1}H-NMR, UV–vis and fluorescence spectroscopy. A batochromic shifting of the UV and photoluminescence maxima was observed with the increase of the acceptor group number. The electrochemical behavior was studied by cyclic voltammetry. The cyclic voltammograms have evidenced that triphenylamine-phenylacetylene compounds undergo only oxidation processes while compounds modified with tetracyanoethylene show both oxidation and reduction peaks associated with donor and acceptor groups, respectively. The donor–acceptor compounds coordinate metal ions (i.e., Hg{sup 2+} and Sn{sup 2+}) by cyano groups resulting in the decreasing of charge transfer band intensity, and they can be used as chemosensors. - Highlights: • Three triphenylamine-based ethynylene compounds were prepared by Sonogashira reaction. • Post-modification of ethynylene linkages by tetracyanethylene cycloaddition and retroconversion led to donor–acceptor compounds. • Photophysical properties of donor–acceptor oligomers were studied in different solvents.

  4. SU-E-T-432: A Rapid and Comprehensive Procedure for Daily Proton QA

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, T; Sun, B; Grantham, K; Knutson, N; Santanam, L; Goddu, S; Klein, E [Washington University, St. Louis, MO (United States)

    2014-06-01

    Purpose: The objective is to develop a rapid and comprehensive daily QA procedure implemented at the S. Lee Kling Proton Therapy Center at Barnes-Jewish Hospital. Methods: A scribed phantom with imbedded fiducials is used for checking lasers accuracy followed by couch isocentricity and for X-ray imaging congruence with isocenter. A Daily QA3 device (Sun Nuclear, FL) was used to check output, range and profiles. Five chambers in the central region possess various build-ups. After converting the thickness of the inherent build-ups into water equivalent thickness (WET) for proton, range of any beam can be checked with additional build-up on the Daily QA3 device. In our procedure, 3 beams from 3 bands (large, small and deep) with nominal range of 20 cm are checked daily. 17cm plastic water with WET of 16.92cm are used as additional build-up so that four chambers sit on the SOBP plateau at various depths and one sit on the distal fall off. Reading from the five chambers are fitted to an error function that has been parameterized to match the SOBP with the same nominal range. Shifting of the error function to maximize the correlation between measurements and the error function is deemed as the range shift from the nominal value. Results: We have found couch isocentricity maintained over 180 degrees. Imaging system exhibits accuracy in regard to imaging and mechanical isocenters. Ranges are within 1mm accuracy from measurements in water tank, and sensitive to change of sub-millimeter. Data acquired since the start of operation show outputs, profiles and range stay within 1% or 1mm from baselines. The whole procedure takes about 40 minutes. Conclusion: Taking advantage of the design of Daily QA3 device turns the device originally designed for photon and electron into a comprehensive and rapid tool for proton daily QA.

  5. SU-E-T-432: A Rapid and Comprehensive Procedure for Daily Proton QA

    International Nuclear Information System (INIS)

    Zhao, T; Sun, B; Grantham, K; Knutson, N; Santanam, L; Goddu, S; Klein, E

    2014-01-01

    Purpose: The objective is to develop a rapid and comprehensive daily QA procedure implemented at the S. Lee Kling Proton Therapy Center at Barnes-Jewish Hospital. Methods: A scribed phantom with imbedded fiducials is used for checking lasers accuracy followed by couch isocentricity and for X-ray imaging congruence with isocenter. A Daily QA3 device (Sun Nuclear, FL) was used to check output, range and profiles. Five chambers in the central region possess various build-ups. After converting the thickness of the inherent build-ups into water equivalent thickness (WET) for proton, range of any beam can be checked with additional build-up on the Daily QA3 device. In our procedure, 3 beams from 3 bands (large, small and deep) with nominal range of 20 cm are checked daily. 17cm plastic water with WET of 16.92cm are used as additional build-up so that four chambers sit on the SOBP plateau at various depths and one sit on the distal fall off. Reading from the five chambers are fitted to an error function that has been parameterized to match the SOBP with the same nominal range. Shifting of the error function to maximize the correlation between measurements and the error function is deemed as the range shift from the nominal value. Results: We have found couch isocentricity maintained over 180 degrees. Imaging system exhibits accuracy in regard to imaging and mechanical isocenters. Ranges are within 1mm accuracy from measurements in water tank, and sensitive to change of sub-millimeter. Data acquired since the start of operation show outputs, profiles and range stay within 1% or 1mm from baselines. The whole procedure takes about 40 minutes. Conclusion: Taking advantage of the design of Daily QA3 device turns the device originally designed for photon and electron into a comprehensive and rapid tool for proton daily QA

  6. 40 CFR 98.144 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98... fraction for each carbonate consumed based on sampling and chemical analysis using an industry consensus... testing method published by an industry consensus standards organization (e.g., ASTM, ASME, API, etc.). ...

  7. 40 CFR 98.404 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Monitoring and QA/QC requirements. 98... published by a consensus-based standards organization exists, such a method shall be used. Consensus-based... (NAESB). (ii) Where no appropriate standard method developed by a consensus-based standards organization...

  8. Exogenous quinones inhibit photosynthetic electron transfer in Chloroflexus aurantiacus by specific quenching of the excited bacteriochlorophyll c antenna

    DEFF Research Database (Denmark)

    Frigaard, N-U; Tokita, S; Matsuura, K

    1999-01-01

    In the photosynthetic green filamentous bacterium Chloroflexus aurantiacus, excitation energy is transferred from a large bacteriochlorophyll (BChl) c antenna via smaller BChl a antennas to the reaction center. The effects of substituted 1,4-naphthoquinones on BChl c and BChl a fluorescence and o...... antenna. Our results provide a model system for studying the redox-dependent antenna quenching in green sulfur bacteria because the antennas in these bacteria inherently exhibit a sensitivity to O(2) similar to the quinone-supplemented cells of Cfx. aurantiacus....... and on flash-induced cytochrome c oxidation were studied in whole cells under aerobic conditions. BChl c fluorescence in a cell suspension with 5.4 microM BChl c was quenched to 50% by addition of 0.6 microM shikonin ((R)-2-(1-hydroxy-4-methyl-3-pentenyl)-5,8-dihydroxy-1, 4-naphthoquinone), 0.9 microM 5......-hydroxy-1,4-naphthoquinone, or 4 microM 2-acetyl-3-methyl-1,4-naphthoquinone. Between 25 and 100 times higher quinone concentrations were needed to quench BChl a fluorescence to a similar extent. These quinones also efficiently inhibited flash-induced cytochrome c oxidation when BChl c was excited...

  9. QA engineering for the LCP USA magnet manufacturers

    International Nuclear Information System (INIS)

    Childress, C.E.; Batey, J.E.; Burn, P.B.

    1981-01-01

    This paper describes the QA and QC efforts and results used in fabricating the superconducting magnets of competing designs being developed by American Manufacturers for testing in the ORNL Large Coil Test Facility. Control of the design, materials and processes to assure proper functioning of the magnets in the test facility as well as the content of archival data being compiled is discussed

  10. The Role of Human Aldo-Keto Reductases (AKRs in the Metabolic Activation and Detoxication of Polycyclic Aromatic Hydrocarbons: Interconversion of PAH-catechols and PAH o-Quinones

    Directory of Open Access Journals (Sweden)

    Li eZhang

    2012-11-01

    Full Text Available Polycyclic aromatic hydrocarbons (PAH are ubiquitous environmental pollutants. They are procarcinogens requiring metabolic activation to elicit their deleterious effects. Aldo-keto reductases (AKR catalyze the oxidation of proximate carcinogenic PAH trans-dihydrodiols to yield electrophilic and redox-active PAH o-quiniones. AKRs are also found to be capable of reducing PAH o-quinones to form PAH catechols. The interconversion of o-quinones and catechols results in the redox cycling of PAH o-quinones to give rise to the generation of reactive oxygen species and subsequent oxidative DNA damage. On the other hand, PAH catechols can be intercepted through phase II metabolism by which PAH o-quinones could be detoxified and eliminated. The aim of the present review is to summarize the role of human AKRs in the metabolic activation/detoxication of PAH and the relevance of phase II conjugation reactions to human lung carcinogenesis.

  11. Donor assists acceptor binding and catalysis of human α1,6-fucosyltransferase.

    Science.gov (United States)

    Kötzler, Miriam P; Blank, Simon; Bantleon, Frank I; Wienke, Martin; Spillner, Edzard; Meyer, Bernd

    2013-08-16

    α1,6-Core-fucosyltransferase (FUT8) is a vital enzyme in mammalian physiological and pathophysiological processes such as tumorigenesis and progress of, among others, non-small cell lung cancer and colon carcinoma. It was also shown that therapeutic antibodies have a dramatically higher efficacy if the α1,6-fucosyl residue is absent. However, specific and potent inhibitors for FUT8 and related enzymes are lacking. Hence, it is crucial to elucidate the structural basis of acceptor binding and the catalytic mechanism. We present here the first structural model of FUT8 in complex with its acceptor and donor molecules. An unusually large acceptor, i.e., a hexasaccharide from the core of N-glycans, is required as minimal structure. Acceptor substrate binding of FUT8 is being dissected experimentally by STD NMR and SPR and theoretically by molecular dynamics simulations. The acceptor binding site forms an unusually large and shallow binding site. Binding of the acceptor to the enzyme is much faster and stronger if the donor is present. This is due to strong hydrogen bonding between O6 of the proximal N-acetylglucosamine and an oxygen atom of the β-phosphate of GDP-fucose. Therefore, we propose an ordered Bi Bi mechanism for FUT8 where the donor molecule binds first. No specific amino acid is present that could act as base during catalysis. Our results indicate a donor-assisted mechanism, where an oxygen of the β-phosphate deprotonates the acceptor. Knowledge of the mechanism of FUT8 is now being used for rational design of targeted inhibitors to address metastasis and prognosis of carcinomas.

  12. SU-E-T-29: A Web Application for GPU-Based Monte Carlo IMRT/VMAT QA with Delivered Dose Verification

    International Nuclear Information System (INIS)

    Folkerts, M; Graves, Y; Tian, Z; Gu, X; Jia, X; Jiang, S

    2014-01-01

    Purpose: To enable an existing web application for GPU-based Monte Carlo (MC) 3D dosimetry quality assurance (QA) to compute “delivered dose” from linac logfile data. Methods: We added significant features to an IMRT/VMAT QA web application which is based on existing technologies (HTML5, Python, and Django). This tool interfaces with python, c-code libraries, and command line-based GPU applications to perform a MC-based IMRT/VMAT QA. The web app automates many complicated aspects of interfacing clinical DICOM and logfile data with cutting-edge GPU software to run a MC dose calculation. The resultant web app is powerful, easy to use, and is able to re-compute both plan dose (from DICOM data) and delivered dose (from logfile data). Both dynalog and trajectorylog file formats are supported. Users upload zipped DICOM RP, CT, and RD data and set the expected statistic uncertainty for the MC dose calculation. A 3D gamma index map, 3D dose distribution, gamma histogram, dosimetric statistics, and DVH curves are displayed to the user. Additional the user may upload the delivery logfile data from the linac to compute a 'delivered dose' calculation and corresponding gamma tests. A comprehensive PDF QA report summarizing the results can also be downloaded. Results: We successfully improved a web app for a GPU-based QA tool that consists of logfile parcing, fluence map generation, CT image processing, GPU based MC dose calculation, gamma index calculation, and DVH calculation. The result is an IMRT and VMAT QA tool that conducts an independent dose calculation for a given treatment plan and delivery log file. The system takes both DICOM data and logfile data to compute plan dose and delivered dose respectively. Conclusion: We sucessfully improved a GPU-based MC QA tool to allow for logfile dose calculation. The high efficiency and accessibility will greatly facilitate IMRT and VMAT QA

  13. SU-E-T-29: A Web Application for GPU-Based Monte Carlo IMRT/VMAT QA with Delivered Dose Verification

    Energy Technology Data Exchange (ETDEWEB)

    Folkerts, M [The University of Texas Southwestern Medical Ctr, Dallas, TX (United States); University of California, San Diego, La Jolla, CA (United States); Graves, Y [University of California, San Diego, La Jolla, CA (United States); Tian, Z; Gu, X; Jia, X; Jiang, S [The University of Texas Southwestern Medical Ctr, Dallas, TX (United States)

    2014-06-01

    Purpose: To enable an existing web application for GPU-based Monte Carlo (MC) 3D dosimetry quality assurance (QA) to compute “delivered dose” from linac logfile data. Methods: We added significant features to an IMRT/VMAT QA web application which is based on existing technologies (HTML5, Python, and Django). This tool interfaces with python, c-code libraries, and command line-based GPU applications to perform a MC-based IMRT/VMAT QA. The web app automates many complicated aspects of interfacing clinical DICOM and logfile data with cutting-edge GPU software to run a MC dose calculation. The resultant web app is powerful, easy to use, and is able to re-compute both plan dose (from DICOM data) and delivered dose (from logfile data). Both dynalog and trajectorylog file formats are supported. Users upload zipped DICOM RP, CT, and RD data and set the expected statistic uncertainty for the MC dose calculation. A 3D gamma index map, 3D dose distribution, gamma histogram, dosimetric statistics, and DVH curves are displayed to the user. Additional the user may upload the delivery logfile data from the linac to compute a 'delivered dose' calculation and corresponding gamma tests. A comprehensive PDF QA report summarizing the results can also be downloaded. Results: We successfully improved a web app for a GPU-based QA tool that consists of logfile parcing, fluence map generation, CT image processing, GPU based MC dose calculation, gamma index calculation, and DVH calculation. The result is an IMRT and VMAT QA tool that conducts an independent dose calculation for a given treatment plan and delivery log file. The system takes both DICOM data and logfile data to compute plan dose and delivered dose respectively. Conclusion: We sucessfully improved a GPU-based MC QA tool to allow for logfile dose calculation. The high efficiency and accessibility will greatly facilitate IMRT and VMAT QA.

  14. SU-F-T-489: 4-Years Experience of QA in TomoTherapy MVCT: What Do We Look Out For?

    Energy Technology Data Exchange (ETDEWEB)

    Lee, F; Chan, K [Queen Elizabeth Hospital, Hong Kong (Hong Kong)

    2016-06-15

    Purpose: To evaluate the QA results of TomoTherapy MVCT from March 2012 to February 2016, and to identify issues that may affect consistency in HU numbers and reconstructed treatment dose in MVCT. Methods: Monthly QA was performed on our TomoHD system. Phantom with rod inserts of various mass densities was imaged in MVCT and compared to baseline to evaluate HU number consistency. To evaluate treatment dose reconstructed by delivered sinogram and MVCT, a treatment plan was designed on a humanoid skull phantom. The phantom was imaged with MVCT and treatment plan was delivered to obtain the sinogram. The dose reconstructed with the Planned Adaptive software was compared to the dose in the original plan. The QA tolerance for HU numbers was ±30 HU, and ±2% for discrepancy between original plan dose and reconstructed dose. Tolerances were referenced to AAPM TG148. Results: Several technical modifications or maintenance activities to the system have been identified which affected QA Results: 1) Upgrade in console system software which added a weekly HU calibration procedure; 2) Linac or MLC replacement leading to change in Accelerator Output Machine (AOM) parameters; 3) Upgrade in planning system algorithm affecting MVCT dose reconstruction. These events caused abrupt changes in QA results especially for the reconstructed dose. In the past 9 months, when no such modifications were done to the system, reconstructed dose was consistent with maximum deviation from baseline less than 0.6%. The HU number deviated less than 5HU. Conclusion: Routine QA is essential for MVCT, especially if the MVCT is used for daily dose reconstruction to monitor delivered dose to patients. Several technical events which may affect consistency of this are software changes, linac or MLC replacement. QA results reflected changes which justify re-calibration or system adjustment. In normal circumstances, the system should be relatively stable and quarterly QA may be sufficient.

  15. The Second Round of the PHAR-QA Survey of Competences for Pharmacy Practice

    Directory of Open Access Journals (Sweden)

    Jeffrey Atkinson

    2016-09-01

    Full Text Available This paper presents the results of the second European Delphi round on the ranking of competences for pharmacy practice and compares these data to those of the first round already published. A comparison of the numbers of respondents, distribution by age group, country of residence, etc., shows that whilst the student population of respondents changed from Round 1 to 2, the populations of the professional groups (community, hospital and industrial pharmacists, pharmacists in other occupations and academics were more stable. Results are given for the consensus of ranking and the scores of ranking of 50 competences for pharmacy practice. This two-stage, large-scale Delphi process harmonized and validated the Quality Assurance in European Pharmacy Education and Training (PHAR-QA framework and ensured the adoption by the pharmacy profession of a framework proposed by the academic pharmacy community. The process of evaluation and validation of ranking of competences by the pharmacy profession is now complete, and the PHAR-QA consortium will now put forward a definitive PHAR-QA framework of competences for pharmacy practice.

  16. The Second Round of the PHAR-QA Survey of Competences for Pharmacy Practice

    Science.gov (United States)

    Atkinson, Jeffrey; De Paepe, Kristien; Pozo, Antonio Sánchez; Rekkas, Dimitrios; Volmer, Daisy; Hirvonen, Jouni; Bozic, Borut; Skowron, Agnieska; Mircioiu, Constantin; Marcincal, Annie; Koster, Andries; Wilson, Keith; van Schravendijk, Chris

    2016-01-01

    This paper presents the results of the second European Delphi round on the ranking of competences for pharmacy practice and compares these data to those of the first round already published. A comparison of the numbers of respondents, distribution by age group, country of residence, etc., shows that whilst the student population of respondents changed from Round 1 to 2, the populations of the professional groups (community, hospital and industrial pharmacists, pharmacists in other occupations and academics) were more stable. Results are given for the consensus of ranking and the scores of ranking of 50 competences for pharmacy practice. This two-stage, large-scale Delphi process harmonized and validated the Quality Assurance in European Pharmacy Education and Training (PHAR-QA) framework and ensured the adoption by the pharmacy profession of a framework proposed by the academic pharmacy community. The process of evaluation and validation of ranking of competences by the pharmacy profession is now complete, and the PHAR-QA consortium will now put forward a definitive PHAR-QA framework of competences for pharmacy practice. PMID:28970400

  17. Nano-scale control of energy transfer in the system 'donor-acceptor'

    International Nuclear Information System (INIS)

    Malyukin, Yu.V.; Yefimova, S.L.; Lebedenko, A.N.; Sorokin, A.V.; Borovoy, I.A.

    2005-01-01

    Fluorescence resonance energy transfer (FRET) in a cascade scheme between three amphiphilic dyes 3,3'-dioctadecyloxacarbocyanine perchlorate (DiOC 18 (3), donor), 1,1'-dioctadecyl-3,3,3',3'-tetramethylindocarbocyanine perchlorate (DiIC 18 (3), acceptor/donor) and 1,1'-dioctadecyl-3,3,3',3'-tetramethylindodicarbocyanine perchlorate (DiIC 18 (5), acceptor) has been investigated at low dye concentration (10 -5 mol/l) in water-micellar solutions due to a forced assembling of dyes in nanoscale volume. The experimental data have revealed that sodium dodecyl sulfate (SDS) micelles solubilize dye molecules such that their hydrophilic heads are in contact with water, while hydrophobic tails are embedded into the hydrocarbon core of the micelle. FRET efficiency has been found to depend on the concentration of dyes in micelles and the most effective when each SDS micelle contains 1 donor (DiOC 18 (3)), 2 acceptor/donor (DiIC 18 (3)) and 4 acceptor (DiIC 18 (5)) molecules

  18. Acceptors in cadmium telluride. Identification and electronic structure

    International Nuclear Information System (INIS)

    Molva, E.

    1983-11-01

    It is shown that electronic properties of CdTe are determined by impurities more than by intrinsic defects like vacancies or interstitials in Cd or Te contrary to classical theories. These results are based on annealing, diffusion, implantation and electron irradiation at 4 K. Centers appearing in treated samples are accurately identified by photoluminescence, cathodoluminescence infra-red absorption, electrical measurements and magneto-optic properties. Acceptors identified are Li, Na, Cu, Ag and Au impurities in Cd and N, P and As in Te. Energy levels of all acceptors and fine structure of excitons are determined [fr

  19. QA role in advanced energy activities: Reductionism, emergence, and functionalism; presuppositions in designing internal QA audits

    Energy Technology Data Exchange (ETDEWEB)

    Bodnarczuk, M.

    1988-06-01

    After a brief overview of the mission of Fermilab, this paper explores some of the problems associated with designing internal QA audits. The paper begins with several examples of how audits should not be designed, then goes on to analyze two types of presuppositions about organizational structure (reductionism and emergence) that can be misleading and skew the data sample if folded too heavily into the checklist. A third type of presupposition (functionalism), is proposed as a viable way of achieving a more well-rounded measure of the performance of an organization, i.e. its effectiveness, not just compliance.

  20. Molecular aspects of herbicide binding in chloroplasts = [Molekulaire aspekten van herbicide binding in chloroplasten

    NARCIS (Netherlands)

    Naber, D.

    1989-01-01

    Many weed-controlling agents act by inhibiting the process of photosynthesis. Their mode of action is a displacement of the secondary quinone electron acceptor of photosystem II from its proteinaceous binding environment. This results in a blocking of the electron transport. Consequently

  1. Electronic Connection Between the Quinone and Cytochrome c Redox Pools and Its Role in Regulation of Mitochondrial Electron Transport and Redox Signaling

    Science.gov (United States)

    Sarewicz, Marcin; Osyczka, Artur

    2015-01-01

    Mitochondrial respiration, an important bioenergetic process, relies on operation of four membranous enzymatic complexes linked functionally by mobile, freely diffusible elements: quinone molecules in the membrane and water-soluble cytochromes c in the intermembrane space. One of the mitochondrial complexes, complex III (cytochrome bc1 or ubiquinol:cytochrome c oxidoreductase), provides an electronic connection between these two diffusible redox pools linking in a fully reversible manner two-electron quinone oxidation/reduction with one-electron cytochrome c reduction/oxidation. Several features of this homodimeric enzyme implicate that in addition to its well-defined function of contributing to generation of proton-motive force, cytochrome bc1 may be a physiologically important point of regulation of electron flow acting as a sensor of the redox state of mitochondria that actively responds to changes in bioenergetic conditions. These features include the following: the opposing redox reactions at quinone catalytic sites located on the opposite sides of the membrane, the inter-monomer electronic connection that functionally links four quinone binding sites of a dimer into an H-shaped electron transfer system, as well as the potential to generate superoxide and release it to the intermembrane space where it can be engaged in redox signaling pathways. Here we highlight recent advances in understanding how cytochrome bc1 may accomplish this regulatory physiological function, what is known and remains unknown about catalytic and side reactions within the quinone binding sites and electron transfers through the cofactor chains connecting those sites with the substrate redox pools. We also discuss the developed molecular mechanisms in the context of physiology of mitochondria. PMID:25540143

  2. Refinement of MLC modeling improves commercial QA dosimetry system for SRS and SBRT patient-specific QA.

    Science.gov (United States)

    Hillman, Yair; Kim, Josh; Chetty, Indrin; Wen, Ning

    2018-04-01

    Mobius 3D (M3D) provides a volumetric dose verification of the treatment planning system's calculated dose using an independent beam model and a collapsed cone convolution superposition algorithm. However, there is a lack of investigation into M3D's accuracy and effectiveness for stereotactic radiosurgery (SRS) and stereotactic body radiotherapy (SBRT) quality assurance (QA). Here, we collaborated with the vendor to develop a revised M3D beam model for SRS/SBRT cases treated with a 6X flattening filter-free (FFF) beam and high-definition multiple leaf collimator (HDMLC) on an Edge linear accelerator. Eighty SRS/SBRT cases, planned with AAA dose algorithm and validated with Gafchromic film, were compared to M3D dose calculations using 3D gamma analysis with 2%/2 mm gamma criteria and a 10% threshold. A revised beam model was developed by refining the HD-MLC model in M3D to improve small field dose calculation accuracy and beam profile agreement. All cases were reanalyzed using the revised beam model. The impact of heterogeneity corrections for lung cases was investigated by applying lung density overrides to five cases. For the standard and revised beam models, respectively, the mean gamma passing rates were 94.6% [standard deviation (SD): 6.1%] and 98.0% [SD: 1.7%] (for the overall patient), 88.2% [SD: 17.3%] and 93.8% [SD: 6.8%] (for the brain PTV), 71.4% [SD: 18.4%] and 81.5% [SD: 14.3%] (for the lung PTV), 83.3% [SD: 16.7%] and 67.9% [SD: 23.0%] (for the spine PTV), and 78.6% [SD: 14.0%] and 86.8% [SD: 12.5%] (for the PTV of all other sites). The lung PTV mean gamma passing rates improved from 74.1% [SD: 7.5%] to 89.3% [SD: 7.2%] with the lung density overridden. The revised beam model achieved an output factor within 3% of plastic scintillator measurements for 2 × 2 cm 2 MLC field size, but larger discrepancies are still seen for smaller field sizes which necessitate further improvement of the beam model. Special attention needs to be paid to small field

  3. Perylene-Diimide Based Donor-Acceptor-Donor Type Small-Molecule Acceptors for Solution-Processable Organic Solar Cells

    Science.gov (United States)

    Ganesamoorthy, Ramasamy; Vijayaraghavan, Rajagopalan; Sakthivel, Pachagounder

    2017-12-01

    Development of nonfullerene acceptors plays an important role in the commercial availability of plastic solar cells. We report herein synthesis of bay-substituted donor-acceptor-donor (D-A-D)-type perylene diimide (PDI)-based small molecules (SM-1 to SM-4) by Suzuki coupling method and their use as acceptors in bulk heterojunction organic solar cells (BHJ-OSCs) with poly(3-hexylthiophene) (P3HT) polymer donor. We varied the number of electron-rich thiophene units and the solubilizing side chains and also evaluated the optical and electrochemical properties of the small molecules. The synthesized small molecules were confirmed by Fourier-transform infrared (FT-IR) spectroscopy, nuclear magnetic resonance (NMR) spectroscopy, and high-resolution mass spectroscopy (HR-MS). The small molecules showed extensive and strong absorption in the ultraviolet-visible (UV-Vis) region up to 750 nm, with bandgap (E_{{g}}^{{opt}} ) reduced below use as electron-accepting materials. The small molecules showed good thermal stability up to 300°C. BHJ-OSCs with SM-1 and P3HT polymer donor showed maximum power conversion efficiency (PCE) of 0.19% with V oc of 0.30 V, J sc of 1.72 mA cm-2, and fill factor (FF) of 37%. The PCE decreased with the number of thiophene units. The PCE of SM-2 was lower than that of SM-1. This difference in PCE can be explained by the higher aggregation tendency of the bithiophene compared with the thiophene unit. Introduction of the solubilizing group in the bay position increased the aggregation property, leading to much lower PCE than for the small molecules without solubilizing group.

  4. Dye-Incorporated Polynaphthalenediimide Acceptor for Additive-Free High-Performance All-Polymer Solar Cells.

    Science.gov (United States)

    Chen, Dong; Yao, Jia; Chen, Lie; Yin, Jingping; Lv, Ruizhi; Huang, Bin; Liu, Siqi; Zhang, Zhi-Guo; Yang, Chunhe; Chen, Yiwang; Li, Yongfang

    2018-04-16

    All-polymer solar cells (all-PSCs) can offer unique advantages for applications in flexible devices, and naphthalene diimide (NDI)-based polymer acceptors are the widely used polymer acceptors. However, their power conversion efficiency (PCE) still lags behind that of state-of-the-art polymer solar cells, due to low light absorption, suboptimal energy levels and the strong aggregation of the NDI-based polymer acceptor. Herein, a rhodanine-based dye molecule was introduced into the NDI-based polymer acceptor by simple random copolymerization and showed an improved light absorption coefficient, an up-shifted lowest unoccupied molecular orbital level and reduced crystallization. Consequently, additive-free all-PSCs demonstrated a high PCE of 8.13 %, which is one of the highest performance characteristics reported for all-PSCs to date. These results indicate that incorporating a dye into the n-type polymer gives insight into the precise design of high-performance polymer acceptors for all-PSCs. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Impact of Nonfullerene Acceptor Core Structure on the Photophysics and Efficiency of Polymer Solar Cells

    KAUST Repository

    Alamoudi, Maha

    2018-03-02

    Small-molecule “nonfullerene” acceptors are promising alternatives to fullerene (PC61/71BM) derivatives often used in bulk heterojunction (BHJ) organic solar cells; yet, the efficiency-limiting processes and their dependence on the acceptor structure are not clearly understood. Here, we investigate the impact of the acceptor core structure (cyclopenta-[2,1-b:3,4-b′]dithiophene (CDT) versus indacenodithiophene (IDTT)) of malononitrile (BM)-terminated acceptors, namely CDTBM and IDTTBM, on the photophysical characteristics of BHJ solar cells. Using PCE10 as donor polymer, the IDTT-based acceptor achieves power conversion efficiencies (8.4%) that are higher than those of the CDT-based acceptor (5.6%) because of a concurrent increase in short-circuit current and open-circuit voltage. Using (ultra)fast transient spectroscopy we demonstrate that reduced geminate recombination in PCE10:IDTTBM blends is the reason for the difference in short-circuit currents. External quantum efficiency measurements indicate that the higher energy of interfacial charge-transfer states observed for the IDTT-based acceptor blends is the origin of the higher open-circuit voltage.

  6. Impact of Nonfullerene Acceptor Core Structure on the Photophysics and Efficiency of Polymer Solar Cells

    KAUST Repository

    Alamoudi, Maha; Khan, Jafar Iqbal; Firdaus, Yuliar; Wang, Kai; Andrienko, Denis; Beaujuge, Pierre; Laquai, Fré dé ric

    2018-01-01

    Small-molecule “nonfullerene” acceptors are promising alternatives to fullerene (PC61/71BM) derivatives often used in bulk heterojunction (BHJ) organic solar cells; yet, the efficiency-limiting processes and their dependence on the acceptor structure are not clearly understood. Here, we investigate the impact of the acceptor core structure (cyclopenta-[2,1-b:3,4-b′]dithiophene (CDT) versus indacenodithiophene (IDTT)) of malononitrile (BM)-terminated acceptors, namely CDTBM and IDTTBM, on the photophysical characteristics of BHJ solar cells. Using PCE10 as donor polymer, the IDTT-based acceptor achieves power conversion efficiencies (8.4%) that are higher than those of the CDT-based acceptor (5.6%) because of a concurrent increase in short-circuit current and open-circuit voltage. Using (ultra)fast transient spectroscopy we demonstrate that reduced geminate recombination in PCE10:IDTTBM blends is the reason for the difference in short-circuit currents. External quantum efficiency measurements indicate that the higher energy of interfacial charge-transfer states observed for the IDTT-based acceptor blends is the origin of the higher open-circuit voltage.

  7. Q&A: The Basics of California's School Finance System

    Science.gov (United States)

    EdSource, 2006

    2006-01-01

    In a state as large and complex as California, education financing can become as complicated as rocket science. This two-page Q&A provides a brief, easy-to-understand explanation of California's school finance system and introduces the issues of its adequacy and equity. A list of resources providing additional information is provided.

  8. 40 CFR 98.174 - Monitoring and QA/QC requirements.

    Science.gov (United States)

    2010-07-01

    ... (CONTINUED) MANDATORY GREENHOUSE GAS REPORTING Iron and Steel Production § 98.174 Monitoring and QA/QC... moisture content of the stack gas. (5) Determine the mass rate of process feed or process production (as... Fusion Techniques (incorporated by reference, see § 98.7) for iron and ferrous scrap. (v) ASM CS-104 UNS...

  9. Energetic change of the primary quinone in photosynthetic reaction center. Mutation, delayed fluorescence and model calculations (Theses of the Ph.D. dissertation)

    International Nuclear Information System (INIS)

    Rinyu, L.

    2007-01-01

    Complete text of publication follows. Photosynthesis is one of the basic metabolic processes of living organisms. Photosynthesizing species (bacteria, algae and higher class plants) convert the energy of light into other forms of free energy (redox potential, electro- chemical potential of ions and protons and phosphate-potential) which are directly suit- able either to cover the energy need of the vital processes of the cell or to storage. In reaction center (RC) protein of photo- synthetic bacteria, electron transfer is initiated upon light excitation from the excited bacteriochlorophyll dimer (P) to the secondary quinone (Q B ) via bacteriopheophytine (Bph) and the primary quinone (Q A ). In Rhodobacter sphaeroides purple bacteria, both quinones are ubiquinone-10, but due to the different protein environment, their electrochemical properties is highly different. Whereas Q A makes one-electron chemistry, Q B can be doubly reduced to form hydroquinone, Q B H 2 by uptake of two protons. Q B H 2 subsequently leaves the RC and is replaced by an oxidized quinone from to membrane pool. The semiquinones are important intermediates in the quinone reduction cycle of the RC. The redox midpoint potentials of the Q/Q - redox pairs (E m ) are also different: the Q A /Q A - has 60 mV more negative potential than the Q B /Q B - couple (pH 8) to make the (interquinone) electron transfer favorable. For fine tuning of the midpoint redox potentials of the quinones, the protein assures appropriate steric and electrostatic environment. The most important aim of this study was the design and production of reaction center mutants in the binding pocket of the primary quinone to investigate the effect of the amino acids of the protein and lipids of the membrane on the thermodynamics of the primary quinone. The first priority was the determination of the absolute free energy gap between the P* and the P + Q A - states in wild type and mutant reaction centers by comparison of the

  10. Mechanisms of action of quinone-containing alkylating agents: DNA alkylation by aziridinylquinones.

    Science.gov (United States)

    Hargreaves, R H; Hartley, J A; Butler, J

    2000-11-01

    Aziridinyl quinones can be activated by cellular reductases eg. DT-diaphorase and cytochrome P450 reductase to form highly reactive DNA alkylating agents. The mechanisms by which this activation and alkylation take place are many and varied. Using clinically relevant and experimental agents this review will describe many of these mechanisms. The agents discussed are Mitomycin C, EO9 and analogues, diaziridinylbenzoquinones and the pyrrolo[1, 2-alpha]benzimidazolequinones.

  11. A novel DTI-QA tool: Automated metric extraction exploiting the sphericity of an agar filled phantom.

    Science.gov (United States)

    Chavez, Sofia; Viviano, Joseph; Zamyadi, Mojdeh; Kingsley, Peter B; Kochunov, Peter; Strother, Stephen; Voineskos, Aristotle

    2018-02-01

    To develop a quality assurance (QA) tool (acquisition guidelines and automated processing) for diffusion tensor imaging (DTI) data using a common agar-based phantom used for fMRI QA. The goal is to produce a comprehensive set of automated, sensitive and robust QA metrics. A readily available agar phantom was scanned with and without parallel imaging reconstruction. Other scanning parameters were matched to the human scans. A central slab made up of either a thick slice or an average of a few slices, was extracted and all processing was performed on that image. The proposed QA relies on the creation of two ROIs for processing: (i) a preset central circular region of interest (ccROI) and (ii) a signal mask for all images in the dataset. The ccROI enables computation of average signal for SNR calculations as well as average FA values. The production of the signal masks enables automated measurements of eddy current and B0 inhomogeneity induced distortions by exploiting the sphericity of the phantom. Also, the signal masks allow automated background localization to assess levels of Nyquist ghosting. The proposed DTI-QA was shown to produce eleven metrics which are robust yet sensitive to image quality changes within site and differences across sites. It can be performed in a reasonable amount of scan time (~15min) and the code for automated processing has been made publicly available. A novel DTI-QA tool has been proposed. It has been applied successfully on data from several scanners/platforms. The novelty lies in the exploitation of the sphericity of the phantom for distortion measurements. Other novel contributions are: the computation of an SNR value per gradient direction for the diffusion weighted images (DWIs) and an SNR value per non-DWI, an automated background detection for the Nyquist ghosting measurement and an error metric reflecting the contribution of EPI instability to the eddy current induced shape changes observed for DWIs. Copyright © 2017 Elsevier

  12. Conduction electrons in acceptor-doped GaAs/GaAlAs heterostructures: a review

    International Nuclear Information System (INIS)

    Zawadzki, Wlodek; Raymond, Andre; Kubisa, Maciej

    2016-01-01

    We review magneto-optical and magneto-transport effects in GaAs/GaAlAs heterostructures doped in GaAlAs barriers with donors, providing two-dimensional (2D) electron gas (2DEG) in GaAs quantum wells (QWS), and additionally doped with smaller amounts of acceptors (mostly Be atoms) in the vicinity of 2DEG. One may also deal with residual acceptors (mostly C atoms). The behavior of such systems in the presence of a magnetic field differs appreciably from those doped in the vicinity of 2DEG with donors. Three subjects related to the acceptor-doped heterostructures are considered. First is the problem of bound states of conduction electrons confined to the vicinity of negatively charged acceptors by the joint effect of a QW and an external magnetic field parallel to the growth direction. A variational theory of such states is presented, demonstrating that an electron turning around a repulsive center has discrete energies above the corresponding Landau levels. Experimental evidence for the discrete electron energies comes from the work on interband photo-magneto-luminescence, intraband cyclotron resonance and quantum magneto-transport (the Quantum Hall and Shubnikov–de Haas effects). An electron rain-down effect at weak electric fields and a boil-off effect at strong electric fields are introduced. It is demonstrated, both theoretically and experimentally, that a negatively charged acceptor can localize more than one electron. The second subject describes experiment and theory of asymmetric quantized Hall and Shubnikov–de Haas plateaus in acceptor-doped GaAs/GaAlAs heterostructures. It is shown that the main features of the plateau asymmetry can be attributed to asymmetric density of Landau states in the presence of acceptors. However, at high magnetic fields, the rain-down effect is also at work. The third subject deals with the so-called disorder modes (DMs) in the cyclotron resonance of conduction electrons. The DMs originate from random distributions of

  13. QA practice for online analyzers in water steam cycles

    International Nuclear Information System (INIS)

    Staub, L.

    2010-01-01

    The liberalization of power markets throughout the world has resulted in more and more power stations being operated in cycling mode, with frequent load changes and multiple daily start-up and shut-down cycles. This more flexible operation also calls for better automation and poses new challenges to water chemistry in water steam cycles, to avoid subsequent damage to vital plant components such as turbines, boilers or condensers. But automation for the most important chemistry control tool, the sampling and online analyzer system, is only possible if chemists can rely on their online analysis equipment. Proof of plausibility as well as reliability and availability of online analysis results becomes a major focus. While SOP and standard QA procedures for laboratory equipment are well established and daily practice, such measures are widely neglected for online process analyzers. This paper is aiming to establish a roadmap for the implementation of SOP and QA/QC procedures for online instruments in water steam cycles, leading to reliable chemical information that is trustworthy for process automation and chemistry control in water steam cycles. (author)

  14. QA practice for online analyzers in water steam cycles

    International Nuclear Information System (INIS)

    Staub Lukas

    2009-01-01

    The liberalization of power markets throughout the world has resulted in more and more power stations being operated in cycling mode, with frequent load changes and multiple daily start-up and shut-down cycles. This more flexible operation also calls for better automation and poses new challenges to water chemistry in water steam cycles, to avoid subsequent damage to vital plant components such as turbines, boilers or condensers. But automation for the most important chemistry control tool, the sampling and online analyzer system, is only possible if chemists can rely on their online analysis equipment. Proof of plausibility as well as reliability and availability of online analysis results becomes a major focus. While SOP and standard QA procedures for laboratory equipment are well established and daily practice, such measures are widely neglected for online process analyzers. This paper is aiming to establish a roadmap for the implementation of SOP and QA/QC procedures for online instruments in water steam cycles, leading to reliable chemical information that is trustworthy for process automation and chemistry control in water steam cycles. (author)

  15. SU-F-P-07: Applying Failure Modes and Effects Analysis to Treatment Planning System QA

    International Nuclear Information System (INIS)

    Mathew, D; Alaei, P

    2016-01-01

    Purpose: A small-scale implementation of Failure Modes and Effects Analysis (FMEA) for treatment planning system QA by utilizing methodology of AAPM TG-100 report. Methods: FMEA requires numerical values for severity (S), occurrence (O) and detectability (D) of each mode of failure. The product of these three values gives a risk priority number (RPN). We have implemented FMEA for the treatment planning system (TPS) QA for two clinics which use Pinnacle and Eclipse TPS. Quantitative monthly QA data dating back to 4 years for Pinnacle and 1 year for Eclipse have been used to determine values for severity (deviations from predetermined doses at points or volumes), and occurrence of such deviations. The TPS QA protocol includes a phantom containing solid water and lung- and bone-equivalent heterogeneities. Photon and electron plans have been evaluated in both systems. The dose values at multiple distinct points of interest (POI) within the solid water, lung, and bone-equivalent slabs, as well as mean doses to several volumes of interest (VOI), have been re-calculated monthly using the available algorithms. Results: The computed doses vary slightly month-over-month. There have been more significant deviations following software upgrades, especially if the upgrade involved re-modeling of the beams. TG-100 guidance and the data presented here suggest an occurrence (O) of 2 depending on the frequency of re-commissioning the beams, severity (S) of 3, and detectability (D) of 2, giving an RPN of 12. Conclusion: Computerized treatment planning systems could pose a risk due to dosimetric errors and suboptimal treatment plans. The FMEA analysis presented here suggests that TPS QA should immediately follow software upgrades, but does not need to be performed every month.

  16. SU-F-P-07: Applying Failure Modes and Effects Analysis to Treatment Planning System QA

    Energy Technology Data Exchange (ETDEWEB)

    Mathew, D; Alaei, P [University Minnesota, Minneapolis, MN (United States)

    2016-06-15

    Purpose: A small-scale implementation of Failure Modes and Effects Analysis (FMEA) for treatment planning system QA by utilizing methodology of AAPM TG-100 report. Methods: FMEA requires numerical values for severity (S), occurrence (O) and detectability (D) of each mode of failure. The product of these three values gives a risk priority number (RPN). We have implemented FMEA for the treatment planning system (TPS) QA for two clinics which use Pinnacle and Eclipse TPS. Quantitative monthly QA data dating back to 4 years for Pinnacle and 1 year for Eclipse have been used to determine values for severity (deviations from predetermined doses at points or volumes), and occurrence of such deviations. The TPS QA protocol includes a phantom containing solid water and lung- and bone-equivalent heterogeneities. Photon and electron plans have been evaluated in both systems. The dose values at multiple distinct points of interest (POI) within the solid water, lung, and bone-equivalent slabs, as well as mean doses to several volumes of interest (VOI), have been re-calculated monthly using the available algorithms. Results: The computed doses vary slightly month-over-month. There have been more significant deviations following software upgrades, especially if the upgrade involved re-modeling of the beams. TG-100 guidance and the data presented here suggest an occurrence (O) of 2 depending on the frequency of re-commissioning the beams, severity (S) of 3, and detectability (D) of 2, giving an RPN of 12. Conclusion: Computerized treatment planning systems could pose a risk due to dosimetric errors and suboptimal treatment plans. The FMEA analysis presented here suggests that TPS QA should immediately follow software upgrades, but does not need to be performed every month.

  17. Effect of anneal and quench on the nature of the dominant acceptors in ZnTe

    International Nuclear Information System (INIS)

    Bensahel, D.; Magnea, N.; Pautrat, J.L.; Pfister, J.C.; Revoil, L.

    1978-01-01

    Anneal and quench studies on high purity ZnTe have shown the dominant role of impurities and their solubilities as functions of stoichiometrical conditions. The role of 'b' acceptor, related to lithium, 'g' acceptor, related to silver, and 'a' acceptor of unknown nature is reported

  18. SU-G-206-01: A Fully Automated CT Tool to Facilitate Phantom Image QA for Quantitative Imaging in Clinical Trials

    International Nuclear Information System (INIS)

    Wahi-Anwar, M; Lo, P; Kim, H; Brown, M; McNitt-Gray, M

    2016-01-01

    Purpose: The use of Quantitative Imaging (QI) methods in Clinical Trials requires both verification of adherence to a specified protocol and an assessment of scanner performance under that protocol, which are currently accomplished manually. This work introduces automated phantom identification and image QA measure extraction towards a fully-automated CT phantom QA system to perform these functions and facilitate the use of Quantitative Imaging methods in clinical trials. Methods: This study used a retrospective cohort of CT phantom scans from existing clinical trial protocols - totaling 84 phantoms, across 3 phantom types using various scanners and protocols. The QA system identifies the input phantom scan through an ensemble of threshold-based classifiers. Each classifier - corresponding to a phantom type - contains a template slice, which is compared to the input scan on a slice-by-slice basis, resulting in slice-wise similarity metric values for each slice compared. Pre-trained thresholds (established from a training set of phantom images matching the template type) are used to filter the similarity distribution, and the slice with the most optimal local mean similarity, with local neighboring slices meeting the threshold requirement, is chosen as the classifier’s matched slice (if it existed). The classifier with the matched slice possessing the most optimal local mean similarity is then chosen as the ensemble’s best matching slice. If the best matching slice exists, image QA algorithm and ROIs corresponding to the matching classifier extracted the image QA measures. Results: Automated phantom identification performed with 84.5% accuracy and 88.8% sensitivity on 84 phantoms. Automated image quality measurements (following standard protocol) on identified water phantoms (n=35) matched user QA decisions with 100% accuracy. Conclusion: We provide a fullyautomated CT phantom QA system consistent with manual QA performance. Further work will include parallel

  19. SU-G-206-01: A Fully Automated CT Tool to Facilitate Phantom Image QA for Quantitative Imaging in Clinical Trials

    Energy Technology Data Exchange (ETDEWEB)

    Wahi-Anwar, M; Lo, P; Kim, H; Brown, M; McNitt-Gray, M [UCLA Radiological Sciences, Los Angeles, CA (United States)

    2016-06-15

    Purpose: The use of Quantitative Imaging (QI) methods in Clinical Trials requires both verification of adherence to a specified protocol and an assessment of scanner performance under that protocol, which are currently accomplished manually. This work introduces automated phantom identification and image QA measure extraction towards a fully-automated CT phantom QA system to perform these functions and facilitate the use of Quantitative Imaging methods in clinical trials. Methods: This study used a retrospective cohort of CT phantom scans from existing clinical trial protocols - totaling 84 phantoms, across 3 phantom types using various scanners and protocols. The QA system identifies the input phantom scan through an ensemble of threshold-based classifiers. Each classifier - corresponding to a phantom type - contains a template slice, which is compared to the input scan on a slice-by-slice basis, resulting in slice-wise similarity metric values for each slice compared. Pre-trained thresholds (established from a training set of phantom images matching the template type) are used to filter the similarity distribution, and the slice with the most optimal local mean similarity, with local neighboring slices meeting the threshold requirement, is chosen as the classifier’s matched slice (if it existed). The classifier with the matched slice possessing the most optimal local mean similarity is then chosen as the ensemble’s best matching slice. If the best matching slice exists, image QA algorithm and ROIs corresponding to the matching classifier extracted the image QA measures. Results: Automated phantom identification performed with 84.5% accuracy and 88.8% sensitivity on 84 phantoms. Automated image quality measurements (following standard protocol) on identified water phantoms (n=35) matched user QA decisions with 100% accuracy. Conclusion: We provide a fullyautomated CT phantom QA system consistent with manual QA performance. Further work will include parallel

  20. A virtual dosimetry audit - Towards transferability of gamma index analysis between clinical trial QA groups.

    Science.gov (United States)

    Hussein, Mohammad; Clementel, Enrico; Eaton, David J; Greer, Peter B; Haworth, Annette; Ishikura, Satoshi; Kry, Stephen F; Lehmann, Joerg; Lye, Jessica; Monti, Angelo F; Nakamura, Mitsuhiro; Hurkmans, Coen; Clark, Catharine H

    2017-12-01

    Quality assurance (QA) for clinical trials is important. Lack of compliance can affect trial outcome. Clinical trial QA groups have different methods of dose distribution verification and analysis, all with the ultimate aim of ensuring trial compliance. The aim of this study was to gain a better understanding of different processes to inform future dosimetry audit reciprocity. Six clinical trial QA groups participated. Intensity modulated treatment plans were generated for three different cases. A range of 17 virtual 'measurements' were generated by introducing a variety of simulated perturbations (such as MLC position deviations, dose differences, gantry rotation errors, Gaussian noise) to three different treatment plan cases. Participants were blinded to the 'measured' data details. Each group analysed the datasets using their own gamma index (γ) technique and using standardised parameters for passing criteria, lower dose threshold, γ normalisation and global γ. For the same virtual 'measured' datasets, different results were observed using local techniques. For the standardised γ, differences in the percentage of points passing with γ audit has been an informative step in understanding differences in the verification of measured dose distributions between different clinical trial QA groups. This work lays the foundations for audit reciprocity between groups, particularly with more clinical trials being open to international recruitment. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Electroluminescence from charge transfer states in Donor/Acceptor solar cells

    DEFF Research Database (Denmark)

    Sherafatipour, Golenaz; Madsen, Morten

    Charge photocurrent generation is a key process in solar energy conversion systems. Effective dissociation of the photo-generated electron-hole pairs (excitons) has a strong influence on the efficiency of the organic solar cells. Charge dissociation takes place at the donor/acceptor interface via...... which the maximum open-circuit voltage can be estimated, and further can be used in the modeling and optimization of the OPV devices. [1] C. Deibe, T. Strobe, and V. Dyakonov, “Role of the charge transfer state in organic donor-acceptor solar cells,” Adv. Mater., vol. 22, pp. 4097–4111, 2010. [2] K...... charge transfer (CT) excitons, which is Coulombically bound interfacial electron- hole pairs residing at the donor/acceptor heterojunctions. The CT state represents an intermediate state between the exciton dissociation and recombination back to the ground state. Since the recombination of photo...

  2. Discussion of QA grading for AP1000 NP plant

    International Nuclear Information System (INIS)

    Luo Shuiyun; Zhang Qingchuan

    2012-01-01

    The grading method of quality assurance for the following AP1000 project is presented based on the Westinghouse classification principle, referring to the classification method of the AP1000 self-reliance supporting project and considering the factors of classification, which can meet the requirements of domestic nuclear safety regulation and standard of the QA classification. (authors)

  3. Dominant intrinsic acceptors in GaN and ZnO

    Energy Technology Data Exchange (ETDEWEB)

    Saarinen, K; Hautakangas, S; Tuomisto, F [Laboratory of Physics, Helsinki University of Technology, PO Box 1100, FI-02015 TKK (Finland)

    2006-09-01

    Positron annihilation measurements reveal negatively charged Ga vacancies in n-type GaN and Zn vacancies in n-type ZnO. Positron trapping at other negative defects is not observed, indicating that cation vacancies are the dominant acceptors in these materials. The vacancy concentrations are the same as the total acceptor densities determined in Hall experiments, confirming the dominant role of the vacancy defects. The Ga vacancy in GaN is found as the main compensating centre over the range of four orders of magnitude of intentional oxygen doping.

  4. Dominant intrinsic acceptors in GaN and ZnO

    International Nuclear Information System (INIS)

    Saarinen, K; Hautakangas, S; Tuomisto, F

    2006-01-01

    Positron annihilation measurements reveal negatively charged Ga vacancies in n-type GaN and Zn vacancies in n-type ZnO. Positron trapping at other negative defects is not observed, indicating that cation vacancies are the dominant acceptors in these materials. The vacancy concentrations are the same as the total acceptor densities determined in Hall experiments, confirming the dominant role of the vacancy defects. The Ga vacancy in GaN is found as the main compensating centre over the range of four orders of magnitude of intentional oxygen doping

  5. Charge Carrier Dynamics at Silver Nanocluster-Molecular Acceptor Interfaces

    KAUST Repository

    Almansaf, Abdulkhaleq

    2017-07-01

    A fundamental understanding of interfacial charge transfer at donor-acceptor interfaces is very crucial as it is considered among the most important dynamical processes for optimizing performance in many light harvesting systems, including photovoltaics and photo-catalysis. In general, the photo-generated singlet excitons in photoactive materials exhibit very short lifetimes because of their dipole-allowed spin radiative decay and short diffusion lengths. In contrast, the radiative decay of triplet excitons is dipole forbidden; therefore, their lifetimes are considerably longer. The discussion in this thesis primarily focuses on the relevant parameters that are involved in charge separation (CS), charge transfer (CT), intersystem crossing (ISC) rate, triplet state lifetime, and carrier recombination (CR) at silver nanocluster (NCs) molecular-acceptors interfaces. A combination of steady-state and femto- and nanosecond broadband transient absorption spectroscopies were used to investigate the charge carrier dynamics in various donor-acceptor systems. Additionally, this thesis was prolonged to investigate some important factors that influence the charge carrier dynamics in Ag29 silver NCs donor-acceptor systems, such as the metal doping and chemical structure of the nanocluster and molecular acceptors. Interestingly, clear correlations between the steady-state measurements and timeresolved spectroscopy results are found. In the first study, we have investigated the interfacial charge transfer dynamics in positively charged meso units of 5, 10, 15, 20-tetra (1- methyl-4-pyridino)-porphyrin tetra (p-toluene sulfonate) (TMPyP) and neutral charged 5, 10, 15, 20-tetra (4-pyridyl)-porphyrin (TPyP), with negatively charged undoped and gold (Au)- doped silver Ag29 NCs. Moreover, this study showed the impact of Au doping on the charge carrier dynamics of the system. In the second study, we have investigated the interfacial charge transfer dynamics in [Pt2 Ag23 Cl7 (PPh3

  6. Ultrafast Photoinduced Electron Transfer in Bimolecular Donor-Acceptor Systems

    KAUST Repository

    Alsulami, Qana A.

    2016-11-30

    The efficiency of photoconversion systems, such as organic photovoltaic (OPV) cells, is largely controlled by a series of fundamental photophysical processes occurring at the interface before carrier collection. A profound understanding of ultrafast interfacial charge transfer (CT), charge separation (CS), and charge recombination (CR) is the key determinant to improving the overall performances of photovoltaic devices. The discussion in this dissertation primarily focuses on the relevant parameters that are involved in photon absorption, exciton separation, carrier transport, carrier recombination and carrier collection in organic photovoltaic devices. A combination of steady-state and femtosecond broadband transient spectroscopies was used to investigate the photoinduced charge carrier dynamics in various donor-acceptor systems. Furthermore, this study was extended to investigate some important factors that influence charge transfer in donor-acceptor systems, such as the morphology, energy band alignment, electronic properties and chemical structure. Interestingly, clear correlations among the steady-state measurements, time-resolved spectroscopy results, grain alignment of the electron transporting layer (ETL), carrier mobility, and device performance are found. In this thesis, we explored the significant impacts of ultrafast charge separation and charge recombination at donor/acceptor (D/A) interfaces on the performance of a conjugated polymer PTB7-Th device with three fullerene acceptors: PC71BM, PC61BM and IC60BA. Time-resolved laser spectroscopy and high-resolution electron microscopy can illustrate the basis for fabricating solar cell devices with improved performances. In addition, we studied the effects of the incorporation of heavy metals into π-conjugated chromophores on electron transfer by monitoring the triplet state lifetime of the oligomer using transient absorption spectroscopy, as understanding the mechanisms controlling intersystem crossing and

  7. Spectroscopic studies of charge transfer complexes of some amino aromatic donors with some acceptors

    International Nuclear Information System (INIS)

    Al-Ani, S.S.

    1989-01-01

    Charge transfer (C.T.) complexes are the products of the weak reversible interactions between electron donors and electron acceptors. Sixteen novel C.T. complexes were studied and discussed. These complexes were formed from aromatic electron donors with various electron acceptors in absolute ethyl alcohol at 20 0 C. Electronic absorption spectra of these complexes and their donors and acceptors were taken. New charge transfer absorption bands appeared for these complexes in the UV-VIS region. The donors used are tetramethyl diamino benzophenone, P-amino-N:N-dimethyl aniline, tetramethyl-diamino-diphenylmethane, P-amino-azobenzene and benzidine, while the acceptors are iodine, bromine, picric acid, 2,4-dinitrophenol, trifluoroacetic acid and trichloroacetic acid. The results showed a disappearance of some donors and acceptors absorption bands. The energy of C.T. bands were calculated from which the ionization potentials of donors were obtained. The results showed that energies of C.T. Bands for complexes of a given donor with a series of acceptors are very similar. Some C.T. complexes showed low value of energy and high values of electrical conductivity. These are ionic complexes rather than molecular ones. 4 tabs.; 2 figs.; 99 refs

  8. SU-D-BRC-02: Application of Six Sigma Approach to Improve the Efficiency of Patient-Specific QA in Proton Therapy

    International Nuclear Information System (INIS)

    LAH, J; Shin, D; Manger, R; Kim, G

    2016-01-01

    Purpose: To show how the Six Sigma DMAIC (Define-Measure-Analyze-Improve-Control) can be used for improving and optimizing the efficiency of patient-specific QA process by designing site-specific range tolerances. Methods: The Six Sigma tools (process flow diagram, cause and effect, capability analysis, Pareto chart, and control chart) were utilized to determine the steps that need focus for improving the patient-specific QA process. The patient-specific range QA plans were selected according to 7 treatment site groups, a total of 1437 cases. The process capability index, Cpm was used to guide the tolerance design of patient site-specific range. We also analyzed the financial impact of this project. Results: Our results suggested that the patient range measurements were non-capable at the current tolerance level of ±1 mm in clinical proton plans. The optimized tolerances were calculated for treatment sites. Control charts for the patient QA time were constructed to compare QA time before and after the new tolerances were implemented. It is found that overall processing time was decreased by 24.3% after establishing new site-specific range tolerances. The QA failure for whole process in proton therapy would lead up to a 46% increase in total cost. This result can also predict how costs are affected by changes in adopting the tolerance design. Conclusion: We often believe that the quality and performance of proton therapy can easily be improved by merely tightening some or all of its tolerance requirements. This can become costly, however, and it is not necessarily a guarantee of better performance. The tolerance design is not a task to be undertaken without careful thought. The Six Sigma DMAIC can be used to improve the QA process by setting optimized tolerances. When tolerance design is optimized, the quality is reasonably balanced with time and cost demands.

  9. SU-E-T-760: Tolerance Design for Site-Specific Range in Proton Patient QA Process Using the Six Sigma Model

    International Nuclear Information System (INIS)

    Lah, J; Shin, D; Kim, G

    2015-01-01

    Purpose: To show how tolerance design and tolerancing approaches can be used to predict and improve the site-specific range in patient QA process in implementing the Six Sigma. Methods: In this study, patient QA plans were selected according to 6 site-treatment groups: head &neck (94 cases), spine (76 cases), lung (89 cases), liver (53 cases), pancreas (55 cases), and prostate (121 cases), treated between 2007 and 2013. We evaluated a model of the Six Sigma that determines allowable deviations in design parameters and process variables in patient-specific QA, where possible, tolerance may be loosened, then customized if it necessary to meet the functional requirements. A Six Sigma problem-solving methodology is known as DMAIC phases, which are used stand for: Define a problem or improvement opportunity, Measure process performance, Analyze the process to determine the root causes of poor performance, Improve the process by fixing root causes, Control the improved process to hold the gains. Results: The process capability for patient-specific range QA is 0.65 with only ±1 mm of tolerance criteria. Our results suggested the tolerance level of ±2–3 mm for prostate and liver cases and ±5 mm for lung cases. We found that customized tolerance between calculated and measured range reduce that patient QA plan failure and almost all sites had failure rates less than 1%. The average QA time also improved from 2 hr to less than 1 hr for all including planning and converting process, depth-dose measurement and evaluation. Conclusion: The objective of tolerance design is to achieve optimization beyond that obtained through QA process improvement and statistical analysis function detailing to implement a Six Sigma capable design

  10. SU-D-BRC-02: Application of Six Sigma Approach to Improve the Efficiency of Patient-Specific QA in Proton Therapy

    Energy Technology Data Exchange (ETDEWEB)

    LAH, J [Myongji Hospital, Goyang-si (Korea, Republic of); Shin, D [Proton Therapy Center, National Cancer Center, Goyang (Korea, Republic of); Manger, R; Kim, G [University of California, San Diego, La Jolla, CA (United States)

    2016-06-15

    Purpose: To show how the Six Sigma DMAIC (Define-Measure-Analyze-Improve-Control) can be used for improving and optimizing the efficiency of patient-specific QA process by designing site-specific range tolerances. Methods: The Six Sigma tools (process flow diagram, cause and effect, capability analysis, Pareto chart, and control chart) were utilized to determine the steps that need focus for improving the patient-specific QA process. The patient-specific range QA plans were selected according to 7 treatment site groups, a total of 1437 cases. The process capability index, Cpm was used to guide the tolerance design of patient site-specific range. We also analyzed the financial impact of this project. Results: Our results suggested that the patient range measurements were non-capable at the current tolerance level of ±1 mm in clinical proton plans. The optimized tolerances were calculated for treatment sites. Control charts for the patient QA time were constructed to compare QA time before and after the new tolerances were implemented. It is found that overall processing time was decreased by 24.3% after establishing new site-specific range tolerances. The QA failure for whole process in proton therapy would lead up to a 46% increase in total cost. This result can also predict how costs are affected by changes in adopting the tolerance design. Conclusion: We often believe that the quality and performance of proton therapy can easily be improved by merely tightening some or all of its tolerance requirements. This can become costly, however, and it is not necessarily a guarantee of better performance. The tolerance design is not a task to be undertaken without careful thought. The Six Sigma DMAIC can be used to improve the QA process by setting optimized tolerances. When tolerance design is optimized, the quality is reasonably balanced with time and cost demands.

  11. SU-E-T-760: Tolerance Design for Site-Specific Range in Proton Patient QA Process Using the Six Sigma Model

    Energy Technology Data Exchange (ETDEWEB)

    Lah, J [Myongji Hospital, Goyang, Gyeonggi-do (Korea, Republic of); Shin, D [National Cancer Center, Goyang-si, Gyeonggi-do (Korea, Republic of); Kim, G [University of California, San Diego, La Jolla, CA (United States)

    2015-06-15

    Purpose: To show how tolerance design and tolerancing approaches can be used to predict and improve the site-specific range in patient QA process in implementing the Six Sigma. Methods: In this study, patient QA plans were selected according to 6 site-treatment groups: head &neck (94 cases), spine (76 cases), lung (89 cases), liver (53 cases), pancreas (55 cases), and prostate (121 cases), treated between 2007 and 2013. We evaluated a model of the Six Sigma that determines allowable deviations in design parameters and process variables in patient-specific QA, where possible, tolerance may be loosened, then customized if it necessary to meet the functional requirements. A Six Sigma problem-solving methodology is known as DMAIC phases, which are used stand for: Define a problem or improvement opportunity, Measure process performance, Analyze the process to determine the root causes of poor performance, Improve the process by fixing root causes, Control the improved process to hold the gains. Results: The process capability for patient-specific range QA is 0.65 with only ±1 mm of tolerance criteria. Our results suggested the tolerance level of ±2–3 mm for prostate and liver cases and ±5 mm for lung cases. We found that customized tolerance between calculated and measured range reduce that patient QA plan failure and almost all sites had failure rates less than 1%. The average QA time also improved from 2 hr to less than 1 hr for all including planning and converting process, depth-dose measurement and evaluation. Conclusion: The objective of tolerance design is to achieve optimization beyond that obtained through QA process improvement and statistical analysis function detailing to implement a Six Sigma capable design.

  12. Donor-Acceptor Block Copolymers: Synthesis and Solar Cell Applications

    Directory of Open Access Journals (Sweden)

    Kazuhiro Nakabayashi

    2014-04-01

    Full Text Available Fullerene derivatives have been widely used for conventional acceptor materials in organic photovoltaics (OPVs because of their high electron mobility. However, there are also considerable drawbacks for use in OPVs, such as negligible light absorption in the visible-near-IR regions, less compatibility with donor polymeric materials and high cost for synthesis and purification. Therefore, the investigation of non-fullerene acceptor materials that can potentially replace fullerene derivatives in OPVs is increasingly necessary, which gives rise to the possibility of fabricating all-polymer (polymer/polymer solar cells that can deliver higher performance and that are potentially cheaper than fullerene-based OPVs. Recently, considerable attention has been paid to donor-acceptor (D-A block copolymers, because of their promising applications as fullerene alternative materials in all-polymer solar cells. However, the synthesis of D-A block copolymers is still a challenge, and therefore, the establishment of an efficient synthetic method is now essential. This review highlights the recent advances in D-A block copolymers synthesis and their applications in all-polymer solar cells.

  13. Polymer solar cells with novel fullerene-based acceptor

    International Nuclear Information System (INIS)

    Riedel, I.; Martin, N.; Giacalone, F.; Segura, J.L.; Chirvase, D.; Parisi, J.; Dyakonov, V.

    2004-01-01

    Alternative acceptor materials are possible candidates to improve the optical absorption and/or the open circuit voltage of polymer-fullerene solar cells. We studied a novel fullerene-type acceptor, DPM-12, for application in polymer-fullerene bulk heterojunction photovoltaic devices. Though DPM-12 has the identical redox potentials as methanofullerene PCBM, surprisingly high open circuit voltages in the range V OC =0.95 V were measured for OC 1 C 10 -PPV:DPM-12-based samples. The potential for photovoltaic application was studied by means of photovoltaic characterization of solar cells including current-voltage measurements and external quantum yield spectroscopy. Further studies were carried out by profiling the solar cell parameters vs. temperature and white light intensity

  14. Comparability between NQA-1 and the QA programs for analytical laboratories within the nuclear industry and EPA hazardous waste laboratories

    International Nuclear Information System (INIS)

    English, S.L.; Dahl, D.R.

    1989-01-01

    There is increasing cooperation between the Department of Energy (DOE), Department of Defense (DOD), and the Environmental Protection Agency (EPA) in the activities associated with monitoring and clean-up of hazardous wastes. Pacific Northwest Laboratory (PNL) examined the quality assurance/quality control programs that the EPA requires of the private sector when performing routine analyses of hazardous wastes to confirm how or if the requirements correspond with PNL's QA program based upon NQA-1. This paper presents the similarities and differences between NQA-1 and the QA program identified in ASTM-C1009-83, Establishing a QA Program for Analytical Chemistry Laboratories within the Nuclear Industry; EPA QAMS-005/80, Interim Guidelines and Specifications for Preparing Quality Assurance Project Plans, which is referenced in Statements of Work for CERCLA analytical activities; and Chapter 1 of SW-846, which is used in analyses of RCRA samples. The EPA QA programs for hazardous waste analyses are easily encompassed within an already established NQA-1 QA program. A few new terms are introduced and there is an increased emphasis upon the QC/verification, but there are many of the same basic concepts in all the programs

  15. SU-E-T-392: Evaluation of Ion Chamber/film and Log File Based QA to Detect Delivery Errors

    International Nuclear Information System (INIS)

    Nelson, C; Mason, B; Kirsner, S; Ohrt, J

    2015-01-01

    Purpose: Ion chamber and film (ICAF) is a method used to verify patient dose prior to treatment. More recently, log file based QA has been shown as an alternative for measurement based QA. In this study, we delivered VMAT plans with and without errors to determine if ICAF and/or log file based QA was able to detect the errors. Methods: Using two VMAT patients, the original treatment plan plus 7 additional plans with delivery errors introduced were generated and delivered. The erroneous plans had gantry, collimator, MLC, gantry and collimator, collimator and MLC, MLC and gantry, and gantry, collimator, and MLC errors. The gantry and collimator errors were off by 4 0 for one of the two arcs. The MLC error introduced was one in which the opening aperture didn’t move throughout the delivery of the field. For each delivery, an ICAF measurement was made as well as a dose comparison based upon log files. Passing criteria to evaluate the plans were ion chamber less and 5% and film 90% of pixels pass the 3mm/3% gamma analysis(GA). For log file analysis 90% of voxels pass the 3mm/3% 3D GA and beam parameters match what was in the plan. Results: Two original plans were delivered and passed both ICAF and log file base QA. Both ICAF and log file QA met the dosimetry criteria on 4 of the 12 erroneous cases analyzed (2 cases were not analyzed). For the log file analysis, all 12 erroneous plans alerted a mismatch in delivery versus what was planned. The 8 plans that didn’t meet criteria all had MLC errors. Conclusion: Our study demonstrates that log file based pre-treatment QA was able to detect small errors that may not be detected using an ICAF and both methods of were able to detect larger delivery errors

  16. Fluorescent and Colorimetric Molecular Recognition Probe for Hydrogen Bond Acceptors

    OpenAIRE

    Pike, Sarah Jane; Hunter, Christopher Alexander

    2018-01-01

    The association constants for formation of 1 : 1 complexes between a H-bond donor, 1-naphthol, and a diverse range of charged and neutral H-bond acceptors have been measured using UV/vis absorption and fluorescence emission titrations. The performance of 1-naphthol as a dual colorimetric and fluorescent molecular recognition probe for determining the H-bond acceptor (HBA) parameters of charged and neutral solutes has been investigated in three solvents. The data were employed to establish sel...

  17. Methods for the synthesis of donor-acceptor cyclopropanes

    Science.gov (United States)

    Tomilov, Yu V.; Menchikov, L. G.; Novikov, R. A.; Ivanova, O. A.; Trushkov, I. V.

    2018-03-01

    The interest in cyclopropane derivatives is caused by the facts that, first, the three-carbon ring is present in quite a few natural and biologically active compounds and, second, compounds with this ring are convenient building blocks for the synthesis of diverse molecules (acyclic, alicyclic and heterocyclic). The carbon–carbon bonds in cyclopropane are kinetically rather inert; hence, they need to be activated to be involved in reactions. An efficient way of activation is to introduce vicinal electron-donating and electron-withdrawing substituents into the ring; these substrates are usually referred to as donor-acceptor cyclopropanes. This review gives a systematic account of the key methods for the synthesis of donor-acceptor cyclopropanes. The most important among them are reactions of nucleophilic alkenes with diazo compounds and iodonium ylides and approaches based on reactions of electrophilic alkenes with sulfur ylides (the Corey–Chaykovsky reaction). Among other methods used for this purpose, noteworthy are cycloalkylation of CH-acids, addition of α-halocarbonyl compounds to alkenes, cyclization via 1,3-elimination, reactions of alkenes with halocarbenes followed by reduction, the Simmons–Smith reaction and some other. The scope of applicability and prospects of various methods for the synthesis of donor-acceptor cyclopropanes are discussed. The bibliography includes 530 references.

  18. Quinones from plants of northeastern Brazil: structural diversity, chemical transformations, NMR data and biological activities.

    Science.gov (United States)

    Lemos, Telma L G; Monte, Francisco J Q; Santos, Allana Kellen L; Fonseca, Aluisio M; Santos, Hélcio S; Oliveira, Mailcar F; Costa, Sonia M O; Pessoa, Otilia D L; Braz-Filho, Raimundo

    2007-05-20

    The present review focus in quinones found in species of Brazilian northeastern Capraria biflora, Lippia sidoides, Lippia microphylla and Tabebuia serratifolia. The review cover ethnopharmacological aspects including photography of species, chemical structure feature, NMR datea and biological properties. Chemical transformations of lapachol to form enamine derivatives and biological activities are discussed.

  19. SU-E-T-636: ProteusONE Machine QA Procedure and Stabiity Study: Half Year Clinical Operation

    Energy Technology Data Exchange (ETDEWEB)

    Freund, D; Ding, X; Wu, H; Zhang, J; Syh, J; Syh, J; Patel, B; Song, X [Willis-Knighton Medical Center, Shreveport, LA (United States)

    2015-06-15

    Purpose: The objective of this study is to evaluate the stability of ProteusOne, the 1st commercial PBS proton system, throughout the daily QA and monthly over 6 month clinical operation. Method: Daily QA test includes IGRT position/repositioning, output in the middle of SOBP, beam flatness, symmetry, inplane and crossplane dimensions as well as energy range check. Daily range shifter QA consist of output, symmetry and field size checks to make sure its integrity. In 30 mins Daily QA test, all the measurements are performed using the MatriXXPT (IBA dosimetry). The data from these measurement was collected and compare over the first 6 month of clinical operation. In addition to the items check in daily QA, the summary also includes the monthly QA gantry star shots, absolute position check using a novel device, XRV-100. Results: Average machine output at the center of the spread out bragg peak was 197.5±.8 cGy and was within 1%of the baseline at 198.4 cGy. Beam flatness was within 1% cross plane with an average of 0.67±0.12% and 2% in-plane with an average of 1.08±0.17% compared to baseline measurements of 0.6 and 1.03, respectively. In all cases the radiation isocenter shift was less than or equal to 1mm. Output for the range shifter was within 2% for each individual measurement and averaged 34.4±.2cGy compare to a baseline reading of 34.5cGy. The average range shifter in and cross plane field size measurements were 19.8±0.5cm and 20.5±0.4cm compared with baseline values of 20.19cm and 20.79cm, respectively. Range shifter field symmetry had an average of less 1% for both in-plane and cross plane measurements. Conclusion: All machine metrics over the past 6 months have proved to be stable. Although, some averages are outside the baseline measurement they are within 1% tolerance and the deviation across all measurements is minimal.

  20. SU-E-T-636: ProteusONE Machine QA Procedure and Stabiity Study: Half Year Clinical Operation

    International Nuclear Information System (INIS)

    Freund, D; Ding, X; Wu, H; Zhang, J; Syh, J; Syh, J; Patel, B; Song, X

    2015-01-01

    Purpose: The objective of this study is to evaluate the stability of ProteusOne, the 1st commercial PBS proton system, throughout the daily QA and monthly over 6 month clinical operation. Method: Daily QA test includes IGRT position/repositioning, output in the middle of SOBP, beam flatness, symmetry, inplane and crossplane dimensions as well as energy range check. Daily range shifter QA consist of output, symmetry and field size checks to make sure its integrity. In 30 mins Daily QA test, all the measurements are performed using the MatriXXPT (IBA dosimetry). The data from these measurement was collected and compare over the first 6 month of clinical operation. In addition to the items check in daily QA, the summary also includes the monthly QA gantry star shots, absolute position check using a novel device, XRV-100. Results: Average machine output at the center of the spread out bragg peak was 197.5±.8 cGy and was within 1%of the baseline at 198.4 cGy. Beam flatness was within 1% cross plane with an average of 0.67±0.12% and 2% in-plane with an average of 1.08±0.17% compared to baseline measurements of 0.6 and 1.03, respectively. In all cases the radiation isocenter shift was less than or equal to 1mm. Output for the range shifter was within 2% for each individual measurement and averaged 34.4±.2cGy compare to a baseline reading of 34.5cGy. The average range shifter in and cross plane field size measurements were 19.8±0.5cm and 20.5±0.4cm compared with baseline values of 20.19cm and 20.79cm, respectively. Range shifter field symmetry had an average of less 1% for both in-plane and cross plane measurements. Conclusion: All machine metrics over the past 6 months have proved to be stable. Although, some averages are outside the baseline measurement they are within 1% tolerance and the deviation across all measurements is minimal

  1. Electron Donor Acceptor Interactions. Final Progress Report

    Energy Technology Data Exchange (ETDEWEB)

    Moore, Ana L. [Arizona State Univ., Tempe, AZ (United States)

    2002-08-16

    The Gordon Research Conference (GRC) on Electron Donor Acceptor Interactions was held at Salve Regina University, Newport, Rhode Island, 8/11-16/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

  2. Manufacturing and QA of adaptors for LHC

    International Nuclear Information System (INIS)

    Madhu Murthy, V.; Dwivedi, J.; Goswami, S.G.; Soni, H.C.; Mainaud Durand, H.; Quesnel, J.P.; )

    2006-01-01

    The LHC low beta quadrupoles, have very tight alignment tolerances and are located in areas with strong radiation field. They require remote re-alignment, by motorized jacks, based on the feedback of alignment sensors of each magnet. Jacks designed to support arc cryomagnets of LHC are modified and motorized with the help of adaptors. Two types of adapters, for vertical and transverse axes of the jacks, were developed and supplied through collaboration between RRCAT, DAE, India and CERN, Geneva. This paper describes their functional requirements, manufacture and quality assurance (QA). (author)

  3. Effect of deviation from stoichiometry on the nature of shallow acceptor states in CdTe crystals

    International Nuclear Information System (INIS)

    Agrinskaya, N.V.; Shashkova, V.V.

    1988-01-01

    Photoconductivity and photoluminescence spectra in the region of donor-acceptor recombination of pure CdTe crystals, grown under conditions of different deviations from stoichiometry are investigated. It is shown that the predominant type of minor acceptors in n-type crystals (with Cd excess) differs from acceptors in p-type crystals (with Te excess). Residual acceptors replacing Te(P, As) prevail in n-type crystals and acceptors replacing Cd(Li, Na) prevail in p-type crystals. As a result of p-type crystal annealing a change of the type of prevailing aceptors accurs in Cd pairs (bands linked with P, As prevail) which testifies to the residual impurity reconstruction in Cd and Te sublattices

  4. Enhanced biotic and abiotic transformation of Cr(vi) by quinone-reducing bacteria/dissolved organic matter/Fe(iii) in anaerobic environment.

    Science.gov (United States)

    Huang, Bin; Gu, Lipeng; He, Huan; Xu, Zhixiang; Pan, Xuejun

    2016-09-14

    This study investigated the simultaneous transformation of Cr(vi) via a closely coupled biotic and abiotic pathway in an anaerobic system of quinone-reducing bacteria/dissolved organic matters (DOM)/Fe(iii). Batch studies were conducted with quinone-reducing bacteria to assess the influences of sodium formate (NaFc), electron shuttling compounds (DOM) and the Fe(iii) on Cr(vi) reduction rates as these chemical species are likely to be present in the environment during in situ bioremediation. Results indicated that the concentration of sodium formate and anthraquinone-2-sodium sulfonate (AQS) had apparently an effect on Cr(vi) reduction. The fastest decrease in rate for incubation supplemented with 5 mM sodium formate and 0.8 mM AQS showed that Fe(iii)/DOM significantly promoted the reduction of Cr(vi). Presumably due to the presence of more easily utilizable sodium formate, DOM and Fe(iii) have indirect Cr(vi) reduction capability. The coexisting cycles of Fe(ii)/Fe(iii) and DOM(ox)/DOM(red) exhibited a higher redox function than the individual cycle, and their abiotic coupling action can significantly enhance Cr(vi) reduction by quinone-reducing bacteria.

  5. Dicumarol inhibition of NADPH:quinone oxidoreductase induces growth inhibition of pancreatic cancer via a superoxide-mediated mechanism.

    Science.gov (United States)

    Cullen, Joseph J; Hinkhouse, Marilyn M; Grady, Matthew; Gaut, Andrew W; Liu, Jingru; Zhang, Yu Ping; Weydert, Christine J Darby; Domann, Frederick E; Oberley, Larry W

    2003-09-01

    NADPH:quinone oxidoreductase (NQO(1)), a homodimeric, ubiquitous, flavoprotein, catalyzes the two-electron reduction of quinones to hydroquinones. This reaction prevents the one-electron reduction of quinones by cytochrome P450 reductase and other flavoproteins that would result in oxidative cycling with generation of superoxide (O(2)(.-)). NQO(1) gene regulation may be up-regulated in some tumors to accommodate the needs of rapidly metabolizing cells to regenerate NAD(+). We hypothesized that pancreatic cancer cells would exhibit high levels of this enzyme, and inhibiting it would suppress the malignant phenotype. Reverse transcription-PCR, Western blots, and activity assays demonstrated that NQO(1) was up-regulated in the pancreatic cancer cell lines tested but present in very low amounts in the normal human pancreas. To determine whether inhibition of NQO(1) would alter the malignant phenotype, MIA PaCa-2 pancreatic cancer cells were treated with a selective inhibitor of NQO(1), dicumarol. Dicumarol increased intracellular production of O(2)(.-), as measured by hydroethidine staining, and inhibited cell growth. Both of these effects were blunted with infection of an adenoviral vector containing the cDNA for manganese superoxide dismutase. Dicumarol also inhibited cell growth, plating efficiency, and growth in soft agar. We conclude that inhibition of NQO(1) increases intracellular O(2)(.-) production and inhibits the in vitro malignant phenotype of pancreatic cancer. These mechanisms suggest that altering the intracellular redox environment of pancreatic cancer cells may inhibit growth and delineate a potential strategy directed against pancreatic cancer.

  6. High-Performance All-Polymer Solar Cells Achieved by Fused Perylenediimide-Based Conjugated Polymer Acceptors.

    Science.gov (United States)

    Yin, Yuli; Yang, Jing; Guo, Fengyun; Zhou, Erjun; Zhao, Liancheng; Zhang, Yong

    2018-05-09

    We report three n-type polymeric electron acceptors (PFPDI-TT, PFPDI-T, and PFPDI-Se) based on the fused perylene diimide (FPDI) and thieno[3,2- b]thiophene, thiophene, or selenophene units for all-polymer solar cells (all-PSCs). These FPDI-based polymer acceptors exhibit strong absorption between 350 and 650 nm with wide optical bandgap of 1.86-1.91 eV, showing good absorption compensation with the narrow bandgap polymer donor. The lowest unoccupied molecular orbital (LUMO) energy levels were located at around -4.11 eV, which are comparable with those of the fullerene derivatives and other small molecular electron acceptors. The conventional all-PSCs based on the three polymer acceptors and PTB7-Th as polymer donor gave remarkable power conversion efficiencies (PCEs) of >6%, and the PFPDI-Se-based all-PSC achieved the highest PCE of 6.58% with a short-circuit current density ( J sc ) of 13.96 mA/cm 2 , an open-circuit voltage ( V oc ) of 0.76 V, and a fill factor (FF) of 62.0%. More interestingly, our results indicate that the photovoltaic performances of the FPDI-based polymer acceptors are mainly determined by the FPDI unit with a small effect from the comonomers, which is quite different from the others reported rylenediimide-based polymer acceptors. This intriguing phenomenon is speculated as the huge geometry configuration of the FPDI unit, which minimizes the effect of the comonomer. These results highlight a promising future for the application of the FPDI-based polymer acceptors in the highly efficient all-PSCs.

  7. Using a User-Interactive QA System for Personalized E-Learning

    Science.gov (United States)

    Hu, Dawei; Chen, Wei; Zeng, Qingtian; Hao, Tianyong; Min, Feng; Wenyin, Liu

    2008-01-01

    A personalized e-learning framework based on a user-interactive question-answering (QA) system is proposed, in which a user-modeling approach is used to capture personal information of students and a personalized answer extraction algorithm is proposed for personalized automatic answering. In our approach, a topic ontology (or concept hierarchy)…

  8. Conformational dynamics of semiflexibly bridged electron donor-acceptor systems comprising long aliphatic tails

    NARCIS (Netherlands)

    Bleisteiner, B.; Marian, T.; Schneider, S.; Brouwer, A.M.; Verhoeven, J.W.

    2001-01-01

    In continuation of our previous work on the conformational dynamics (harpooning mechanism) of semiflexibly bridged electron donor-acceptor systems we have studied a derivative with two long aliphatic chains tethered to the donor and acceptor moieties, respectively. The fitting of the time- and

  9. Ex-situ activation of magnesium acceptors in InGaN/LED-structures

    Energy Technology Data Exchange (ETDEWEB)

    Kusch, Gunnar; Frentrup, Martin; Stellmach, Joachim; Kolbe, Tim; Wernicke, Tim; Pristovsek, Markus; Kneissl, Michael [Technische Universitaet Berlin, Institut fuer Festkoerperphysik, Hardenbergstr. 36, 10623 Berlin (Germany)

    2011-07-01

    One of the main problems limiting the output power of group-III-nitride compound light emitting diodes (LEDs) and laser diodes (LD) is the p-doping of nitrides with magnesium (Mg). During metal-organic vapor phase epitaxy (MOVPE) growth of (Al)GaN:Mg magnesium acceptors are passivated by hydrogen (H). By thermal annealing under nitrogen atmosphere the Mg-H bond can be cracked, thus activating the Mg acceptor. We have investigated ex-situ Mg-activation of the p-GaN layer and p-AlGaN electron blocking layer (EBL) in LEDs grown by MOVPE. Especially the activation of the AlGaN EBL is crucial. Simulations show, that a high doping level is required for effective electron blocking and a high injection efficiency. Additionally the acceptor activation energy is expected to increase with increasing Al-content, reducing the free hole concentration in the EBL. Electroluminescence spectroscopy (EL) was performed to determine the influence of the activation on the external quantum efficiency of the LED structure. Furthermore we used CV measurements to determine the Mg-acceptor concentration.

  10. SU-F-T-271: Comparing IMRT QA Pass Rates Before and After MLC Calibration

    Energy Technology Data Exchange (ETDEWEB)

    Mazza, A; Perrin, D; Fontenot, J [Mary Bird Perkins Cancer Center, Baton Rouge, LA (United States)

    2016-06-15

    Purpose: To compare IMRT QA pass rates before and after an in-house MLC leaf calibration procedure. Methods: The MLC leaves and backup jaws on four Elekta linear accelerators with MLCi2 heads were calibrated using the EPID-based RIT Hancock Test as the means for evaluation. The MLCs were considered to be successfully calibrated when they could pass the Hancock Test with criteria of 1 mm jaw position tolerance, and 1 mm leaf position tolerance. IMRT QA results were collected pre- and postcalibration and analyzed using gamma analysis with 3%/3mm DTA criteria. AAPM TG-119 test plans were also compared pre- and post-calibration, at both 2%/2mm DTA and 3%/3mm DTA. Results: A weighted average was performed on the results for all four linear accelerators. The pre-calibration IMRT QA pass rate was 98.3 ± 0.1%, compared with the post-calibration pass rate of 98.5 ± 0.1%. The TG-119 test plan results showed more of an improvement, particularly at the 2%/2mm criteria. The averaged results were 89.1% pre and 96.1% post for the C-shape plan, 94.8% pre and 97.1% post for the multi-target plan, 98.6% pre and 99.7% post for the prostate plan, 94.7% pre and 94.8% post for the head/neck plan. Conclusion: The patient QA results did not show statistically significant improvement at the 3%/3mm DTA criteria after the MLC calibration procedure. However, the TG-119 test cases did show significant improvement at the 2%/2mm level.

  11. Sterilisation: characteristics of vasectomy acceptors in Delhi.

    Science.gov (United States)

    Sarkar, N N

    1993-01-01

    The place of vasectomy within the sterilisation programme in Delhi over the period 1983-88 is reviewed and data on vasectomy acceptance and characteristics of acceptors are analysed. Findings suggest a need to improve the strategy for the promotion of vasectomy within the metropolis.

  12. TH-A-BRC-01: AAPM TG-135U1 QA for Robotic Radiosurgery

    International Nuclear Information System (INIS)

    Dieterich, S.

    2016-01-01

    AAPM TG-135U1 QA for Robotic Radiosurgery - Sonja Dieterich Since the publication of AAPM TG-135 in 2011, the technology of robotic radiosurgery has rapidly developed. AAPM TG-135U1 will provide recommendations on the clinical practice for using the IRIS collimator, fiducial-less real-time motion tracking, and Monte Carlo based treatment planning. In addition, it will summarize currently available literature about uncertainties. Learning Objectives: Understand the progression of technology since the first TG publication Learn which new QA procedures should be implemented for new technologies Be familiar with updates to clinical practice guidelines AAPM TG-178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance - Steven Goetsch Purpose: AAPM Task Group 178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance was formed in August, 2008. The Task Group has 12 medical physicists, two physicians and two consultants. Methods: A round robin dosimetry intercomparison of proposed ionization chambers, electrometer and dosimetry phantoms was conducted over a 15 month period in 2011 and 2012 (Med Phys 42, 11, Nov, 2015). The data obtained at 9 institutions (with ten different Elekta Gamma Knife units) was analyzed by the lead author using several protocols. Results: The most consistent results were obtained using the Elekta ABS 16cm diameter phantom, with the TG-51 protocol modified as recommended by Alfonso et al (Med Phys 35, 11, Nov 2008). A key white paper (Med Phys, in press) sponsored by Elekta Corporation, was used to obtain correction factors for the ionization chambers and phantoms used in this intercomparison. Consistent results were obtained for both Elekta Gamma Knife Model 4C and Gamma Knife Perfexion units as measured with each of two miniature ionization chambers. Conclusion: The full report gives clinical history and background of gamma stereotactic radiosurgery, clinical examples and history, quality assurance recommendations and outline

  13. TH-A-BRC-00: New Task Groups for External Beam QA: An Overview

    International Nuclear Information System (INIS)

    2016-01-01

    AAPM TG-135U1 QA for Robotic Radiosurgery - Sonja Dieterich Since the publication of AAPM TG-135 in 2011, the technology of robotic radiosurgery has rapidly developed. AAPM TG-135U1 will provide recommendations on the clinical practice for using the IRIS collimator, fiducial-less real-time motion tracking, and Monte Carlo based treatment planning. In addition, it will summarize currently available literature about uncertainties. Learning Objectives: Understand the progression of technology since the first TG publication Learn which new QA procedures should be implemented for new technologies Be familiar with updates to clinical practice guidelines AAPM TG-178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance - Steven Goetsch Purpose: AAPM Task Group 178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance was formed in August, 2008. The Task Group has 12 medical physicists, two physicians and two consultants. Methods: A round robin dosimetry intercomparison of proposed ionization chambers, electrometer and dosimetry phantoms was conducted over a 15 month period in 2011 and 2012 (Med Phys 42, 11, Nov, 2015). The data obtained at 9 institutions (with ten different Elekta Gamma Knife units) was analyzed by the lead author using several protocols. Results: The most consistent results were obtained using the Elekta ABS 16cm diameter phantom, with the TG-51 protocol modified as recommended by Alfonso et al (Med Phys 35, 11, Nov 2008). A key white paper (Med Phys, in press) sponsored by Elekta Corporation, was used to obtain correction factors for the ionization chambers and phantoms used in this intercomparison. Consistent results were obtained for both Elekta Gamma Knife Model 4C and Gamma Knife Perfexion units as measured with each of two miniature ionization chambers. Conclusion: The full report gives clinical history and background of gamma stereotactic radiosurgery, clinical examples and history, quality assurance recommendations and outline

  14. TH-A-BRC-00: New Task Groups for External Beam QA: An Overview

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2016-06-15

    AAPM TG-135U1 QA for Robotic Radiosurgery - Sonja Dieterich Since the publication of AAPM TG-135 in 2011, the technology of robotic radiosurgery has rapidly developed. AAPM TG-135U1 will provide recommendations on the clinical practice for using the IRIS collimator, fiducial-less real-time motion tracking, and Monte Carlo based treatment planning. In addition, it will summarize currently available literature about uncertainties. Learning Objectives: Understand the progression of technology since the first TG publication Learn which new QA procedures should be implemented for new technologies Be familiar with updates to clinical practice guidelines AAPM TG-178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance - Steven Goetsch Purpose: AAPM Task Group 178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance was formed in August, 2008. The Task Group has 12 medical physicists, two physicians and two consultants. Methods: A round robin dosimetry intercomparison of proposed ionization chambers, electrometer and dosimetry phantoms was conducted over a 15 month period in 2011 and 2012 (Med Phys 42, 11, Nov, 2015). The data obtained at 9 institutions (with ten different Elekta Gamma Knife units) was analyzed by the lead author using several protocols. Results: The most consistent results were obtained using the Elekta ABS 16cm diameter phantom, with the TG-51 protocol modified as recommended by Alfonso et al (Med Phys 35, 11, Nov 2008). A key white paper (Med Phys, in press) sponsored by Elekta Corporation, was used to obtain correction factors for the ionization chambers and phantoms used in this intercomparison. Consistent results were obtained for both Elekta Gamma Knife Model 4C and Gamma Knife Perfexion units as measured with each of two miniature ionization chambers. Conclusion: The full report gives clinical history and background of gamma stereotactic radiosurgery, clinical examples and history, quality assurance recommendations and outline

  15. TH-A-BRC-01: AAPM TG-135U1 QA for Robotic Radiosurgery

    Energy Technology Data Exchange (ETDEWEB)

    Dieterich, S. [UC Davis Medical Center (United States)

    2016-06-15

    AAPM TG-135U1 QA for Robotic Radiosurgery - Sonja Dieterich Since the publication of AAPM TG-135 in 2011, the technology of robotic radiosurgery has rapidly developed. AAPM TG-135U1 will provide recommendations on the clinical practice for using the IRIS collimator, fiducial-less real-time motion tracking, and Monte Carlo based treatment planning. In addition, it will summarize currently available literature about uncertainties. Learning Objectives: Understand the progression of technology since the first TG publication Learn which new QA procedures should be implemented for new technologies Be familiar with updates to clinical practice guidelines AAPM TG-178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance - Steven Goetsch Purpose: AAPM Task Group 178 Gamma Stereotactic Radiosurgery Dosimetry and Quality Assurance was formed in August, 2008. The Task Group has 12 medical physicists, two physicians and two consultants. Methods: A round robin dosimetry intercomparison of proposed ionization chambers, electrometer and dosimetry phantoms was conducted over a 15 month period in 2011 and 2012 (Med Phys 42, 11, Nov, 2015). The data obtained at 9 institutions (with ten different Elekta Gamma Knife units) was analyzed by the lead author using several protocols. Results: The most consistent results were obtained using the Elekta ABS 16cm diameter phantom, with the TG-51 protocol modified as recommended by Alfonso et al (Med Phys 35, 11, Nov 2008). A key white paper (Med Phys, in press) sponsored by Elekta Corporation, was used to obtain correction factors for the ionization chambers and phantoms used in this intercomparison. Consistent results were obtained for both Elekta Gamma Knife Model 4C and Gamma Knife Perfexion units as measured with each of two miniature ionization chambers. Conclusion: The full report gives clinical history and background of gamma stereotactic radiosurgery, clinical examples and history, quality assurance recommendations and outline

  16. Atomic scale images of acceptors in III-V semiconductors. Band bending, tunneling paths and wave functions

    Energy Technology Data Exchange (ETDEWEB)

    Loth, S.

    2007-10-26

    This thesis reports measurements of single dopant atoms in III-V semiconductors with low temperature Scanning Tunneling Microscopy (STM) and Scanning Tunneling Spectroscopy (STS). It investigates the anisotropic spatial distribution of acceptor induced tunneling processes at the {l_brace}110{r_brace} cleavage planes. Two different tunneling processes are identified: conventional imaging of the squared acceptor wave function and resonant tunneling at the charged acceptor. A thorough analysis of the tip induced space charge layers identifies characteristic bias windows for each tunnel process. The symmetry of the host crystal's band structure determines the spatial distribution of the tunneling paths for both processes. Symmetry reducing effects at the surface are responsible for a pronounced asymmetry of the acceptor contrasts along the principal [001] axis. Uniaxial strain fields due to surface relaxation and spin orbit interaction of the tip induced electric field are discussed on the basis of band structure calculations. High-resolution STS studies of acceptor atoms in an operating p-i-n diode confirm that an electric field indeed changes the acceptor contrasts. In conclusion, the anisotropic contrasts of acceptors are created by the host crystal's band structure and concomitant symmetry reduction effects at the surface. (orig.)

  17. Enriching consumer health vocabulary through mining a social Q&A site: A similarity-based approach.

    Science.gov (United States)

    He, Zhe; Chen, Zhiwei; Oh, Sanghee; Hou, Jinghui; Bian, Jiang

    2017-05-01

    The widely known vocabulary gap between health consumers and healthcare professionals hinders information seeking and health dialogue of consumers on end-user health applications. The Open Access and Collaborative Consumer Health Vocabulary (OAC CHV), which contains health-related terms used by lay consumers, has been created to bridge such a gap. Specifically, the OAC CHV facilitates consumers' health information retrieval by enabling consumer-facing health applications to translate between professional language and consumer friendly language. To keep up with the constantly evolving medical knowledge and language use, new terms need to be identified and added to the OAC CHV. User-generated content on social media, including social question and answer (social Q&A) sites, afford us an enormous opportunity in mining consumer health terms. Existing methods of identifying new consumer terms from text typically use ad-hoc lexical syntactic patterns and human review. Our study extends an existing method by extracting n-grams from a social Q&A textual corpus and representing them with a rich set of contextual and syntactic features. Using K-means clustering, our method, simiTerm, was able to identify terms that are both contextually and syntactically similar to the existing OAC CHV terms. We tested our method on social Q&A corpora on two disease domains: diabetes and cancer. Our method outperformed three baseline ranking methods. A post-hoc qualitative evaluation by human experts further validated that our method can effectively identify meaningful new consumer terms on social Q&A. Copyright © 2017 Elsevier Inc. All rights reserved.

  18. Portland cement concrete pavement review of QC/QA data 2000 through 2009.

    Science.gov (United States)

    2011-04-01

    This report analyzes the Quality Control/Quality Assurance (QC/QA) data for Portland cement concrete pavement : (PCCP) awarded in the years 2000 through 2009. Analysis of the overall performance of the projects is accomplished by : reviewing the Calc...

  19. SU-E-T-354: Efficient and Enhanced QA Testing of Linear Accelerators Using a Real-Time Beam Monitor

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J; Farrokhkish, M; Norrlinger, B; Wang, Y [Princess Margaret Cancer Centre, Toronto, Ontario (Canada); Heaton, R; Jaffray, D; Islam, M [Princess Margaret Cancer Centre, Toronto, Ontario (Canada); University of Toronto, Toronto, Ontario (Canada)

    2015-06-15

    Purpose: To investigate the feasibility of performing routine QA tests of linear accelerators (Linac) using the Integral Quality Monitoring (IQM) system. The system, consisting of a 1-D sensitivity gradient large area ion-chamber mounted at the collimator, allows automatic collection and analysis of beam data. Methods: The IQM was investigated to perform several QA constancy tests, similar to those recommended by AAPM TG142, of a Linac including: beam output, MLC calibration, beam symmetry, relative dose factor (RDF), dose linearity, output as a function of gantry angle and dose rate. All measurements by the IQM system accompanied a reference measurement using a conventional dosimetry system and were performed on an Elekta Infinity Linac with Agility MLC. The MLC calibration check is done using a Picket-Fence type 2×10cm{sup 2} field positioned at different off-axis locations along the chamber gradient. Beam symmetry constancy values are established by signals from an 4×4cm{sup 2} aperture located at various off-axis positions; the sensitivity of the test was determined by the changes in the signals in response to a tilt in the beam. The data for various square field sizes were used to develop a functional relationship with RDF. Results: The IQM tracked the beam output well within 1% of the reference ion-chamber readings. The Picket-Fence type field test detected a 1mm shift error of one MLC bank. The system was able to detect 2.5% or greater beam asymmetry. The IQM results for all other QA tests were found to agree with the reference values to within 0.5%. Conclusion: It was demonstrated that the IQM system can effectively monitor the Linac performance parameters for the purpose of routine QA constancy tests. With minimum user interactions a comprehensive set of tests can be performed efficiently, allowing frequent monitoring of the Linac. The presenting author’s salary is funded by the manufacturer of the QA device. All the other authors have financial

  20. SU-E-T-354: Efficient and Enhanced QA Testing of Linear Accelerators Using a Real-Time Beam Monitor

    International Nuclear Information System (INIS)

    Jung, J; Farrokhkish, M; Norrlinger, B; Wang, Y; Heaton, R; Jaffray, D; Islam, M

    2015-01-01

    Purpose: To investigate the feasibility of performing routine QA tests of linear accelerators (Linac) using the Integral Quality Monitoring (IQM) system. The system, consisting of a 1-D sensitivity gradient large area ion-chamber mounted at the collimator, allows automatic collection and analysis of beam data. Methods: The IQM was investigated to perform several QA constancy tests, similar to those recommended by AAPM TG142, of a Linac including: beam output, MLC calibration, beam symmetry, relative dose factor (RDF), dose linearity, output as a function of gantry angle and dose rate. All measurements by the IQM system accompanied a reference measurement using a conventional dosimetry system and were performed on an Elekta Infinity Linac with Agility MLC. The MLC calibration check is done using a Picket-Fence type 2×10cm 2 field positioned at different off-axis locations along the chamber gradient. Beam symmetry constancy values are established by signals from an 4×4cm 2 aperture located at various off-axis positions; the sensitivity of the test was determined by the changes in the signals in response to a tilt in the beam. The data for various square field sizes were used to develop a functional relationship with RDF. Results: The IQM tracked the beam output well within 1% of the reference ion-chamber readings. The Picket-Fence type field test detected a 1mm shift error of one MLC bank. The system was able to detect 2.5% or greater beam asymmetry. The IQM results for all other QA tests were found to agree with the reference values to within 0.5%. Conclusion: It was demonstrated that the IQM system can effectively monitor the Linac performance parameters for the purpose of routine QA constancy tests. With minimum user interactions a comprehensive set of tests can be performed efficiently, allowing frequent monitoring of the Linac. The presenting author’s salary is funded by the manufacturer of the QA device. All the other authors have financial interests with

  1. Triplet Tellurophene-Based Acceptors for Organic Solar Cells.

    Science.gov (United States)

    Yang, Lei; Gu, Wenxing; Lv, Lei; Chen, Yusheng; Yang, Yufei; Ye, Pan; Wu, Jianfei; Hong, Ling; Peng, Aidong; Huang, Hui

    2018-01-22

    Triplet materials have been employed to achieve high-performing organic solar cells (OSCs) by extending the exciton lifetime and diffusion distances, while the triplet non-fullerene acceptor materials have never been reported for bulk heterojunction OSCs. Herein, for the first time, three triplet molecular acceptors based on tellurophene with different degrees of ring fusing were designed and synthesized for OSCs. Significantly, these molecules have long exciton lifetime and diffusion lengths, leading to efficient power conversion efficiency (7.52 %), which is the highest value for tellurophene-based OSCs. The influence of the extent of ring fusing on molecular geometry and OSCs performance was investigated to show the power conversion efficiencies (PCEs) continuously increased along with increasing the extent of ring fusing. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Differential stress-induced regulation of two quinone reductases in the brown rot Basidiomycete Gloeophyllum trabeum

    Science.gov (United States)

    Roni Cohen; Melissa R. Suzuki; Kenneth E. Hammel

    2004-01-01

    Quinone reductases (QRDs) have two important functions in the basidiomycete Gloeophyllum trabeum, which causes brown rot of wood. First, a QRD is required to generate biodegradative hydroxyl radicals via redox cycling between two G. trabeum extracellular metabolites, 2,5-dimethoxyhydroquinone (2,5-DMHQ) and 2,5-dimethoxy-1,4-benzoquinone (2,5- DMBQ). Second, because 2,...

  3. Organic Donor-Acceptor Complexes as Novel Organic Semiconductors.

    Science.gov (United States)

    Zhang, Jing; Xu, Wei; Sheng, Peng; Zhao, Guangyao; Zhu, Daoben

    2017-07-18

    Organic donor-acceptor (DA) complexes have attracted wide attention in recent decades, resulting in the rapid development of organic binary system electronics. The design and synthesis of organic DA complexes with a variety of component structures have mainly focused on metallicity (or even superconductivity), emission, or ferroelectricity studies. Further efforts have been made in high-performance electronic investigations. The chemical versatility of organic semiconductors provides DA complexes with a great number of possibilities for semiconducting applications. Organic DA complexes extend the semiconductor family and promote charge separation and transport in organic field-effect transistors (OFETs) and organic photovoltaics (OPVs). In OFETs, the organic complex serves as an active layer across extraordinary charge pathways, ensuring the efficient transport of induced charges. Although an increasing number of organic semiconductors have been reported to exhibit good p- or n-type properties (mobilities higher than 1 or even 10 cm 2 V -1 s -1 ), critical scientific challenges remain in utilizing the advantages of existing semiconductor materials for more and wider applications while maintaining less complicated synthetic or device fabrication processes. DA complex materials have revealed new insight: their unique molecular packing and structure-property relationships. The combination of donors and acceptors could offer practical advantages compared with their unimolecular materials. First, growing crystals of DA complexes with densely packed structures will reduce impurities and traps from the self-assembly process. Second, complexes based on the original structural components could form superior mixture stacking, which can facilitate charge transport depending on the driving force in the coassembly process. Third, the effective use of organic semiconductors can lead to tunable band structures, allowing the operation mode (p- or n-type) of the transistor to be

  4. QA/QC - Practices and procedures in WWER fuel management

    International Nuclear Information System (INIS)

    Keselica, M.

    1999-01-01

    Construction time schedule and commissioning (unit by unit) of the NPP Dukovany as well as structure of electricity generation in the CEZ in 1998 are reviewed. History of QA/QC system establishment and rules (system standards) as well as organization chart of the NPP Dukovany and quality manual of reactor physics department are presented. Standards of worker's qualification and nuclear fuel inspections are discussed. Fuel reliability indicators are presented

  5. Expansion of polyalanine tracts in the QA domain may play a critical ...

    Indian Academy of Sciences (India)

    2015-09-03

    Sep 3, 2015 ... role in the clavicular development of cleidocranial dysplasia. LI-ZHENG ... RUNX2 mutation have been identified in nearly 500 families with CCD ... tracts in the QA domain of RUNX2 influences the transcrip- tional activity of ...

  6. Vacancy clustering and acceptor activation in nitrogen-implanted ZnO

    Science.gov (United States)

    Børseth, Thomas Moe; Tuomisto, Filip; Christensen, Jens S.; Monakhov, Edouard V.; Svensson, Bengt G.; Kuznetsov, Andrej Yu.

    2008-01-01

    The role of vacancy clustering and acceptor activation on resistivity evolution in N ion-implanted n -type hydrothermally grown bulk ZnO has been investigated by positron annihilation spectroscopy, resistivity measurements, and chemical profiling. Room temperature 220keV N implantation using doses in the low 1015cm-2 range induces small and big vacancy clusters containing at least 2 and 3-4 Zn vacancies, respectively. The small clusters are present already in as-implanted samples and remain stable up to 1000°C with no significant effect on the resistivity evolution. In contrast, formation of the big clusters at 600°C is associated with a significant increase in the free electron concentration attributed to gettering of amphoteric Li impurities by these clusters. Further annealing at 800°C results in a dramatic decrease in the free electron concentration correlated with activation of 1016-1017cm-3 acceptors likely to be N and/or Li related. The samples remain n type, however, and further annealing at 1000°C results in passivation of the acceptor states while the big clusters dissociate.

  7. mosaicQA - A General Approach to Facilitate Basic Data Quality Assurance for Epidemiological Research.

    Science.gov (United States)

    Bialke, Martin; Rau, Henriette; Schwaneberg, Thea; Walk, Rene; Bahls, Thomas; Hoffmann, Wolfgang

    2017-05-29

    Epidemiological studies are based on a considerable amount of personal, medical and socio-economic data. To answer research questions with reliable results, epidemiological research projects face the challenge of providing high quality data. Consequently, gathered data has to be reviewed continuously during the data collection period. This article describes the development of the mosaicQA-library for non-statistical experts consisting of a set of reusable R functions to provide support for a basic data quality assurance for a wide range of application scenarios in epidemiological research. To generate valid quality reports for various scenarios and data sets, a general and flexible development approach was needed. As a first step, a set of quality-related questions, targeting quality aspects on a more general level, was identified. The next step included the design of specific R-scripts to produce proper reports for metric and categorical data. For more flexibility, the third development step focussed on the generalization of the developed R-scripts, e.g. extracting characteristics and parameters. As a last step the generic characteristics of the developed R functionalities and generated reports have been evaluated using different metric and categorical datasets. The developed mosaicQA-library generates basic data quality reports for multivariate input data. If needed, more detailed results for single-variable data, including definition of units, variables, descriptions, code lists and categories of qualified missings, can easily be produced. The mosaicQA-library enables researchers to generate reports for various kinds of metric and categorical data without the need for computational or scripting knowledge. At the moment, the library focusses on the data structure quality and supports the assessment of several quality indicators, including frequency, distribution and plausibility of research variables as well as the occurrence of missing and extreme values. To

  8. Bond of donor-acceptor interaction in metal-ligand system with energies of Fermi electrons

    International Nuclear Information System (INIS)

    Vlasov, Yu.V.; Khentov, V.Ya.; Velikanova, L.N.; Semchenko, V.V.

    1993-01-01

    Role of quantum nature of metal (W, Mo and others) in donor-acceptor interaction of metal salicylalaniline - aprotic solvent was discussed. The dependence of dissolution rate and activation energy of donor-acceptor interaction on electron energy was established

  9. Shallow acceptors in strained Ge/Ge1-xSix heterostructures with quantum wells

    International Nuclear Information System (INIS)

    Aleshkin, V.Ya.; Andreev, B.A.; Gavrilenko, V.I.; Erofeeva, I.V.; Kozlov, D.V.; Kuznetsov, O.A.

    2000-01-01

    Dependence of acceptor localized state energies in quantum wells (strained layers of Ge in heterostructures Ge/Ge 1-x Si x ) on the width of quantum well and position in it was studied theoretically. Spectrum of impurity absorption in the far infrared range was calculated. Comparison of the results calculated and observed photoconductivity spectra permits estimating acceptor distribution over quantum well and suggesting conclusion that acceptors can be largely concentrated near heteroboundaries. Absorption spectrum was calculated bearing in mind resonance impurity states, which permits explaining the observed specific features in the photoconductivity spectrum short-wave range by transition to resonance energy levels, bound to upper subzones of dimensional quantization [ru

  10. On the Molecular Origin of Charge Separation at the Donor-Acceptor Interface

    KAUST Repository

    Sini, Gjergji

    2018-01-22

    Fullerene-based acceptors have dominated organic solar cells for almost two decades. It is only within the last few years that alternative acceptors rival their dominance, introducing much more flexibility in the optoelectronic properties of these material blends. However, a fundamental physical understanding of the processes that drive charge separation at organic heterojunctions is still missing, but urgently needed to direct further material improvements. Here a combined experimental and theoretical approach is used to understand the intimate mechanisms by which molecular structure contributes to exciton dissociation, charge separation, and charge recombination at the donor–acceptor (D–A) interface. Model systems comprised of polythiophene-based donor and rylene diimide-based acceptor polymers are used and a detailed density functional theory (DFT) investigation is performed. The results point to the roles that geometric deformations and direct-contact intermolecular polarization play in establishing a driving force (energy gradient) for the optoelectronic processes taking place at the interface. A substantial impact for this driving force is found to stem from polymer deformations at the interface, a finding that can clearly lead to new design approaches in the development of the next generation of conjugated polymers and small molecules.

  11. Synthesis of OMS Materials and Investigation of Their Acceptor-Donor Characteristics.

    Science.gov (United States)

    Grajek, H; Paciura-Zadrożna, J; Choma, J; Michalski, E; Witkiewicz, Z

    2012-10-01

    Three ordered mesoporous siliceous (OMS) materials known as MCM41s-unmodified MCM-41C16 ("C16"), and two MCM41s with different surface functionalities: MCM-41C16-SH ("C16-SH") and MCM-41C16-NH 2 ("C16-NH 2 ")-were synthesized and studied by inverse gas chromatography in order to determine their acceptor-donor properties. The specific retention volumes of nonpolar and polar probes that were chromatographed on these ordered mesoporous silica adsorbents were evaluated under infinite dilution conditions. Two methods were employed to calculate the standard free energy of adsorption, Δ G ads , of each chromatographed probe on the basis its specific retention volume. These Δ G ads values were then employed to estimate the van der Waals contribution and the specific contribution of the free surface energy for each MCM41. DN values (donor numbers, based on the Gutmann scale) and AN* values (acceptor numbers, based on the Riddle-Fowkes scale) were employed to determine the values of parameters that characterize the ability of the MCM41s to act as electron acceptors (parameter: K A ) and donors (parameter: K D ). Considering the different compositions of the probes, each of which has different acceptor-donor properties, a new chromatographic test to supplement the Grob test is suggested.

  12. SU-E-T-242: Design of a Novel Afterloader Clearance QA Device for Biliary HDR Therapy

    Energy Technology Data Exchange (ETDEWEB)

    Mullins, JP; Deufel, CL [Mayo Clinic, Rochester, MN (United States)

    2015-06-15

    Purpose: Bile duct cancer affects 2–3 thousand people annually in the United States. Radiation therapy has been shown to double median survival, with combined external beam and intraluminal high dose-rate (HDR) brachytherapy being most effective. Endoscopic retrograde cholangiopancreatography (ERCP) biliary HDR, a less-invasive alternative to trans-hepatic brachytherapy, is delivered through a catheter that travels a tortuous path from nose to bile duct, requiring wire drive force and dexterity beyond typical afterloader performance specifications. Thus, specific afterloader quality assurance(QA) is recommended for this procedure. Our aim was to create a device and process for Varisource afterloader clearance QA with objectives that it be quantitative and can monitor afterloader performance over time, compare performance between two distinct afterloaders and potentially Result in a predictive nomogram for patient-specific clearance. Methods: Based on retrospective reconstruction of 20 ERCP patient anatomies, we designed a phantom to test afterloader ability to drive the source wire along an intended treatment path. The ability of the afterloader to fully extend the intended treatment path is a function of number and diameters of turns. We have determined experimentally that relative position of the turns does not impact performance. Results: Both patient and QA paths involve three common turns/loops: a large turn representing the stomach(10.8cm±2.0cm), an elliptical loop representing the duodenum(7.3cm±1.5cmx4.8cm±0.7cm), and a final turn at the end of the bile duct that may be tight for some patient-specific anatomies and absent in others(3.7cm±0.7cm, where present). Our phantom design uses anatomical average turn diameters for the stomach and duodenum then terminates in a turn of quantitatively selectable diameter. The smallest final turn diameter that an afterloader can pass is recorded as the QA parameter. Conclusion: With this device and QA process, we

  13. SU-E-T-164: Clinical Implementation of ASi EPID Panels for QA of IMRT/VMAT Plans.

    Science.gov (United States)

    Hosier, K; Wu, C; Beck, K; Radevic, M; Asche, D; Bareng, J; Kroner, A; Lehmann, J; Logsdon, M; Dutton, S; Rosenthal, S

    2012-06-01

    To investigate various issues for clinical implementation of aSi EPID panels for IMRT/VMAT QA. Six linacs are used in our clinic for EPID-based plan QA; two Varian Truebeams, two Varian 2100 series, two Elekta Infiniti series. Multiple corrections must be accounted for in the calibration of each panel for dosimetric use. Varian aSi panels are calibrated with standard dark field, flood field, and 40×40 diagonal profile for beam profile correction. Additional corrections to account for off-axis and support arm backscatter are needed for larger field sizes. Since Elekta iViewGT system does not export gantry angle with images, a third-party inclinometer must be physically mounted to back of linac gantry and synchronized with data acquisition via iViewGT PC clock. A T/2 offset correctly correlates image and gantry angle for arc plans due to iView image time stamp at the end of data acquisition for each image. For both Varian and Elekta panels, a 5 MU 10×10 calibration field is used to account for the nonlinear MU to dose response at higher energies. Acquired EPID images are deconvolved via a high pass filter in Fourier space and resultant fluence maps are used to reconstruct a 3D dose 'delivered' to patient using DosimetryCheck. Results are compared to patient 3D dose computed by TPS using a 3D-gamma analysis. 120 IMRT and 100 VMAT cases are reported. Two 3D gamma quantities (Gamma(V10) and Gamma(PTV)) are proposed for evaluating QA results. The Gamma(PTV) is sensitive to MLC offsets while Gamma(V10) is sensitive to gantry rotations. When a 3mm/3% criteria and 90% or higher 3D gamma pass rate is used, all IMRT and 90% of VMAT QA pass QA. After appropriate calibration of aSi panels and setup of image acquisition systems, EPID based 3D dose reconstruction method is found clinically feasible. © 2012 American Association of Physicists in Medicine.

  14. SU-E-T-646: Quality Assurance of Truebeam Multi-Leaf Collimator Using a MLC QA Phantom

    International Nuclear Information System (INIS)

    Zhang, J; Lu, J; Hong, D

    2015-01-01

    Purpose: To perform a routine quality assurance procedure for Truebeam multi-leaf collimator (MLC) using MLC QA phantom, verify the stability and reliability of MLC during the treatment. Methods: MLC QA phantom is a specialized phantom for MLC quality assurance (QA), and contains five radio-opaque spheres that are embedded in an “L” shape. The phantom was placed isocentrically on the Truebeam treatment couch for the tests. A quality assurance plan was setted up in the Eclipse v10.0, the fields that need to be delivered in order to acquire the necessary images, the MLC shapes can then be obtained by the images. The images acquired by the electronic portal imaging device (EPID), and imported into the PIPSpro software for the analysis. The tests were delivered twelve weeks (once a week) to verify consistency of the delivery, and the images are acquired in the same manner each time. Results: For the Leaf position test, the average position error was 0.23mm±0.02mm (range: 0.18mm∼0.25mm). The Leaf width was measured at the isocenter, the average error was 0.06mm±0.02mm (range: 0.02mm∼0.08mm) for the Leaf width test. Multi-Port test showed the dynamic leaf shift error, the average error was 0.28mm±0.03mm (range: 0.2mm∼0.35mm). For the leaf transmission test, the average inter-leaf leakage value was 1.0%±0.17% (range: 0.8%∼1.3%) and the average inter-bank leakage value was 32.6%±2.1% (range: 30.2%∼36.1%). Conclusion: By the test of 12 weeks, the MLC system of the Truebeam is running in a good condition and the MLC system can be steadily and reliably carried out during the treatment. The MLC QA phantom is a useful test tool for the MLC QA

  15. Positively charged phosphorus as a hydrogen bond acceptor

    DEFF Research Database (Denmark)

    Hansen, Anne Schou; Du, Lin; Kjærgaard, Henrik Grum

    2014-01-01

    Phosphorus (P) is an element that is essential to the life of all organisms, and the atmospheric detection of phosphine suggests the existence of a volatile biogeochemical P cycle. Here, we investigate the ability of P to participate in the formation of OH···P hydrogen bonds. Three bimolecular......-stretching frequency red shifts and quantum chemical calculations, we find that P is an acceptor atom similar in strength to O and S and that all three P, O, and S atoms are weaker acceptors than N. The quantum chemical calculations show that both H and P in the OH···P hydrogen bond have partial positive charges......, as expected from their electronegativities. However, the electrostatic potentials show a negative potential area on the electron density surface around P that facilitates formation of hydrogen bonds....

  16. USGS QA Plan: Certification of digital airborne mapping products

    Science.gov (United States)

    Christopherson, J.

    2007-01-01

    To facilitate acceptance of new digital technologies in aerial imaging and mapping, the US Geological Survey (USGS) and its partners have launched a Quality Assurance (QA) Plan for Digital Aerial Imagery. This should provide a foundation for the quality of digital aerial imagery and products. It introduces broader considerations regarding processes employed by aerial flyers in collecting, processing and delivering data, and provides training and information for US producers and users alike.

  17. A Nonfullerene Small Molecule Acceptor with 3D Interlocking Geometry Enabling Efficient Organic Solar Cells.

    Science.gov (United States)

    Lee, Jaewon; Singh, Ranbir; Sin, Dong Hun; Kim, Heung Gyu; Song, Kyu Chan; Cho, Kilwon

    2016-01-06

    A new 3D nonfullerene small-molecule acceptor is reported. The 3D interlocking geometry of the small-molecule acceptor enables uniform molecular conformation and strong intermolecular connectivity, facilitating favorable nanoscale phase separation and electron charge transfer. By employing both a novel polymer donor and a nonfullerene small-molecule acceptor in the solution-processed organic solar cells, a high-power conversion efficiency of close to 6% is demonstrated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT).

    Science.gov (United States)

    Slouka, Christoph; Kainz, Theresa; Navickas, Edvinas; Walch, Gregor; Hutter, Herbert; Reichmann, Klaus; Fleig, Jürgen

    2016-11-22

    The different properties of acceptor-doped (hard) and donor-doped (soft) lead zirconate titanate (PZT) ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La 3+ donor-doped, Fe 3+ acceptor-doped and La 3+ /Fe 3+ -co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT.

  19. The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT

    Directory of Open Access Journals (Sweden)

    Christoph Slouka

    2016-11-01

    Full Text Available The different properties of acceptor-doped (hard and donor-doped (soft lead zirconate titanate (PZT ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La3+ donor-doped, Fe3+ acceptor-doped and La3+/Fe3+-co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT.

  20. Calcium mobilization by quinones and other free radical generating systems in rat hepatocytes

    International Nuclear Information System (INIS)

    Chen, E.C.; Chan, T.M.

    1987-01-01

    Using isolated rat hepatocytes, sublethal concentrations of quinones and other free radical generating systems were used to test the role of extracellular calcium (Ca) in activating glycogen phosphorylase and intracellular Ca mobilization. The α-agonist phenylephrine (Phe) was used for comparison. The EC50's were: Phe = 2.6 x 10 -7 M, menadione (K 3 ) = 4.5 x 10 -5 M, dicumarol = 2 x 10 -5 M. In normal Ca buffer, activation by K 3 was slower than Phe, being maximal at 2' but more sustained. Dicumarol and tert-butyl hydroperoxide (t-BH) activated phosphorylase similarly. The xanthine-xanthine oxidase (X-XO) system stimulated activation similar to K 3 . Dicumarol greatly augmented phosphorylase activation by K 3 but had no effect on Phe action. Depletion of extracellular Ca abolished Phe action, markedly diminished t-BH and dicumarol, but had no effect on K 3 or X-XO activation of phosphorylase. Ca efflux exchange measured in 45 Ca preloaded cells were stimulated equally by Phe, K 3 , dicumarol, or K 3 + dicumarol in the presence of extracellular Ca. Absence of extracellular Ca abolished Phe effect but minimally affected stimulation by K 3 or K 3 + dicumarol. These data suggest that activation of glycogen phosphorylase by sublethal doses of quinones may not reflect the degree and the mechanism of intracellular Ca mobilization

  1. Manufacture of Daily Check Device and Efficiency Evaluation for Daily Q.A

    International Nuclear Information System (INIS)

    Kim, Chan Yong; Jae, Young Wan; Park, Heung Deuk; Lee, Jae Hee

    2005-01-01

    Daily Q.A is the important step which must be preceded in a radiation treatment. Specially, radiation output measurement and laser alignment, SSD indicator related to a patient set-up recurrence must be confirmed for a reasonable radiation treatment. Daily Q.A proceeds correctness and a prompt way, and needs an objective measurement basis. Manufacture of the device which can facilitate confirmation of output measurement and appliances check at one time was requested. Produced the phantom formal daily check device which can confirm a lot of appliances check (output measurement and laser alignment. field size, SSD indicator) with one time of set up at a time, and measurement observed a linear accelerator (4 machine) for four months and evaluated efficiency. We were able to confirm an laser alignment, field size, SSD indicator check at the same time, and out put measurement was possible with the same set up, so daily Q.A time was reduced, and we were able to confirm an objective basis about each item measurement. As a result of having measured for four months, output measurement within ±2%, and measured laser alignment, field size, SSD indicator in range within ±1 mm. We can enforce output measurement and appliances check conveniently, and time was reduced and was able to raise efficiency of business. We were able to bring a cost reduction by substitution expensive commercialized equipment. Further It is necessary to makes a product as strong and slight materials, and improve convenience of use.

  2. From Field Notes to Data Portal - A Scalable Data QA/QC Framework for Tower Networks: Progress and Preliminary Results

    Science.gov (United States)

    Sturtevant, C.; Hackley, S.; Lee, R.; Holling, G.; Bonarrigo, S.

    2017-12-01

    Quality assurance and control (QA/QC) is one of the most important yet challenging aspects of producing research-quality data. Data quality issues are multi-faceted, including sensor malfunctions, unmet theoretical assumptions, and measurement interference from humans or the natural environment. Tower networks such as Ameriflux, ICOS, and NEON continue to grow in size and sophistication, yet tools for robust, efficient, scalable QA/QC have lagged. Quality control remains a largely manual process heavily relying on visual inspection of data. In addition, notes of measurement interference are often recorded on paper without an explicit pathway to data flagging. As such, an increase in network size requires a near-proportional increase in personnel devoted to QA/QC, quickly stressing the human resources available. We present a scalable QA/QC framework in development for NEON that combines the efficiency and standardization of automated checks with the power and flexibility of human review. This framework includes fast-response monitoring of sensor health, a mobile application for electronically recording maintenance activities, traditional point-based automated quality flagging, and continuous monitoring of quality outcomes and longer-term holistic evaluations. This framework maintains the traceability of quality information along the entirety of the data generation pipeline, and explicitly links field reports of measurement interference to quality flagging. Preliminary results show that data quality can be effectively monitored and managed for a multitude of sites with a small group of QA/QC staff. Several components of this framework are open-source, including a R-Shiny application for efficiently monitoring, synthesizing, and investigating data quality issues.

  3. Electron paramagnetic resonance study of neutral Mg acceptors in β-Ga2O3 crystals

    Science.gov (United States)

    Kananen, B. E.; Halliburton, L. E.; Scherrer, E. M.; Stevens, K. T.; Foundos, G. K.; Chang, K. B.; Giles, N. C.

    2017-08-01

    Electron paramagnetic resonance (EPR) is used to directly observe and characterize neutral Mg acceptors ( M gGa0 ) in a β-Ga2O3 crystal. These acceptors, best considered as small polarons, are produced when the Mg-doped crystal is irradiated at or near 77 K with x rays. During the irradiation, neutral acceptors are formed when holes are trapped at singly ionized Mg acceptors ( M gGa- ). Unintentionally present Fe3+ (3d5) and Cr3+ (3d3) transition-metal ions serve as the corresponding electron traps. The hole is localized in a nonbonding p orbital on a threefold-coordinated oxygen ion adjacent to an Mg ion at a sixfold-coordinated Ga site. These M gGa0 acceptors (S = 1/2) have a slightly anisotropic g matrix (principal values are 2.0038, 2.0153, and 2.0371). There is also partially resolved 69Ga and 71Ga hyperfine structure resulting from unequal interactions with the two Ga ions adjacent to the hole. With the magnetic field along the a direction, hyperfine parameters are 2.61 and 1.18 mT for the 69Ga nuclei at the two inequivalent neighboring Ga sites. The M gGa0 acceptors thermally convert back to their nonparamagnetic M gGa- charge state when the temperature of the crystal is raised above approximately 250 K.

  4. SU-F-T-251: The Quality Assurance for the Heavy Patient Load Department in the Developing Country: The Primary Experience of An Entire Workflow QA Process Management in Radiotherapy

    International Nuclear Information System (INIS)

    Xie, J; Wang, J; Peng, J; Chen, J; Hu, W

    2016-01-01

    Purpose: To implement an entire workflow quality assurance (QA) process in the radiotherapy department and to reduce the error rates of radiotherapy based on the entire workflow management in the developing country. Methods: The entire workflow QA process management starts from patient registration to the end of last treatment including all steps through the entire radiotherapy process. Error rate of chartcheck is used to evaluate the the entire workflow QA process. Two to three qualified senior medical physicists checked the documents before the first treatment fraction of every patient. Random check of the treatment history during treatment was also performed. A total of around 6000 patients treatment data before and after implementing the entire workflow QA process were compared from May, 2014 to December, 2015. Results: A systemic checklist was established. It mainly includes patient’s registration, treatment plan QA, information exporting to OIS(Oncology Information System), documents of treatment QAand QA of the treatment history. The error rate derived from the chart check decreases from 1.7% to 0.9% after our the entire workflow QA process. All checked errors before the first treatment fraction were corrected as soon as oncologist re-confirmed them and reinforce staff training was accordingly followed to prevent those errors. Conclusion: The entire workflow QA process improved the safety, quality of radiotherapy in our department and we consider that our QA experience can be applicable for the heavily-loaded radiotherapy departments in developing country.

  5. SU-F-T-251: The Quality Assurance for the Heavy Patient Load Department in the Developing Country: The Primary Experience of An Entire Workflow QA Process Management in Radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Xie, J; Wang, J; Peng, J; Chen, J; Hu, W [Fudan University Shanghai Cancer Center, Shanghai, Shanghai (China)

    2016-06-15

    Purpose: To implement an entire workflow quality assurance (QA) process in the radiotherapy department and to reduce the error rates of radiotherapy based on the entire workflow management in the developing country. Methods: The entire workflow QA process management starts from patient registration to the end of last treatment including all steps through the entire radiotherapy process. Error rate of chartcheck is used to evaluate the the entire workflow QA process. Two to three qualified senior medical physicists checked the documents before the first treatment fraction of every patient. Random check of the treatment history during treatment was also performed. A total of around 6000 patients treatment data before and after implementing the entire workflow QA process were compared from May, 2014 to December, 2015. Results: A systemic checklist was established. It mainly includes patient’s registration, treatment plan QA, information exporting to OIS(Oncology Information System), documents of treatment QAand QA of the treatment history. The error rate derived from the chart check decreases from 1.7% to 0.9% after our the entire workflow QA process. All checked errors before the first treatment fraction were corrected as soon as oncologist re-confirmed them and reinforce staff training was accordingly followed to prevent those errors. Conclusion: The entire workflow QA process improved the safety, quality of radiotherapy in our department and we consider that our QA experience can be applicable for the heavily-loaded radiotherapy departments in developing country.

  6. An Efficient, “Burn in” Free Organic Solar Cell Employing a Nonfullerene Electron Acceptor

    KAUST Repository

    Cha, Hyojung; Wu, Jiaying; Wadsworth, Andrew; Nagitta, Jade; Limbu, Saurav; Pont, Sebastian; Li, Zhe; Searle, Justin; Wyatt, Mark F.; Baran, Derya; Kim, Ji-Seon; McCulloch, Iain; Durrant, James R.

    2017-01-01

    polymer blended with either the nonfullerene acceptor EH-IDTBR or the fullerene derivative, [6,6]-phenyl C71 butyric acid methyl ester (PC71 BM) as electron acceptors is reported. Inverted PffBT4T-2OD:EH-IDTBR blend solar cell fabricated without any

  7. Redox-active quinones induces genome-wide DNA methylation changes by an iron-mediated and Tet-dependent mechanism

    DEFF Research Database (Denmark)

    Zhao, Bailin; Yang, Ying; Wang, Xiaoli

    2014-01-01

    DNA methylation has been proven to be a critical epigenetic mark important for various cellular processes. Here, we report that redox-active quinones, a ubiquitous class of chemicals found in natural products, cancer therapeutics and environment, stimulate the conversion of 5 mC to 5 hmC in vivo,...

  8. Interface effects on acceptor qubits in silicon and germanium

    International Nuclear Information System (INIS)

    Abadillo-Uriel, J C; Calderón, M J

    2016-01-01

    Dopant-based quantum computing implementations often require the dopants to be situated close to an interface to facilitate qubit manipulation with local gates. Interfaces not only modify the energies of the bound states but also affect their symmetry. Making use of the successful effective mass theory we study the energy spectra of acceptors in Si or Ge taking into account the quantum confinement, the dielectric mismatch and the central cell effects. The presence of an interface puts constraints to the allowed symmetries and leads to the splitting of the ground state in two Kramers doublets (Mol et al 2015 Appl. Phys. Lett. 106 203110). Inversion symmetry breaking also implies parity mixing which affects the allowed optical transitions. Consequences for acceptor qubits are discussed. (paper)

  9. Development of database and QA systems for post closure performance assessment on a potential HLW repository

    International Nuclear Information System (INIS)

    Hwang, Y. S.; Kim, S. G.; Kang, C. H.

    2002-01-01

    In TSPA of long-term post closure radiological safety on permanent disposal of HLW in Korea, appropriate management of input and output data through QA is necessary. The robust QA system is developed using the T2R3 principles applicable for five major steps in R and D's. The proposed system is implemented in the web-based system so that all participants in TSRA are able to access the system. In addition, the internet based input database for TSPA is developed. Currently data from literature surveys, domestic laboratory and field experiments as well as expert elicitation are applied for TSPA

  10. Virtual screening of electron acceptor materials for organic photovoltaic applications

    International Nuclear Information System (INIS)

    D Halls, Mathew; Giesen, David J; Goldberg, Alexander; Djurovich, Peter J; Sommer, Jonathan; McAnally, Eric; Thompson, Mark E

    2013-01-01

    Virtual screening involves the generation of structure libraries, automated analysis to predict properties related to application performance and subsequent screening to identify lead systems and estimate critical structure–property limits across a targeted chemical design space. This approach holds great promise for informing experimental discovery and development efforts for next-generation materials, such as organic semiconductors. In this work, the virtual screening approach is illustrated for nitrogen-substituted pentacene molecules to identify systems for development as electron acceptor materials for use in organic photovoltaic (OPV) devices. A structure library of tetra-azapentacenes (TAPs) was generated by substituting four nitrogens for CH at 12 sites on the pentacene molecular framework. Molecular properties (e.g. E LUMO , E g and μ) were computed for each candidate structure using hybrid DFT at the B3LYP/6-311G** level of theory. The resulting TAPs library was then analyzed with respect to intrinsic properties associated with OPV acceptor performance. Marcus reorganization energies for charge transport for the most favorable TAP candidates were then calculated to further determine suitability as OPV electron acceptors. The synthesis, characterization and OPV device testing of TAP materials is underway, guided by these results. (paper)

  11. Lipase-catalyzed biodiesel synthesis with different acyl acceptors

    Directory of Open Access Journals (Sweden)

    Ognjanović Nevena D.

    2008-01-01

    Full Text Available Biodiesel is an alternative fuel for diesel engine that is environmentally acceptable. Conventionally, biodiesel is produced by transesterification of triglycerides and short alcohols in the presence of an acid or an alkaline catalyst. There are several problems associated with this kind of production that can be resolved by using lipase as the biocatalyst. The aim of the present work was to investigate novel acyl acceptors for biodiesel production. 2-Propanol and n-butanol have a less negative effect on lipase stability, and they also improve low temperature properties of the fuel. However, excess alcohol leads to inactivation of the enzyme, and glycerol, a major byproduct, can block the immobilized enzyme, resulting in low enzymatic activity. This problem was solved by using methyl acetate as acyl acceptor. Triacetylglycerol is produced instead of glycerol, and it has no negative effect on the activity of the lipase.

  12. Quinone-dependent D-lactate dehydrogenase Dld (Cg1027 is essential for growth of Corynebacterium glutamicum on D-lactate

    Directory of Open Access Journals (Sweden)

    Oikawa Tadao

    2010-12-01

    Full Text Available Abstract Background Corynebacterium glutamicum is able to grow with lactate as sole or combined carbon and energy source. Quinone-dependent L-lactate dehydrogenase LldD is known to be essential for utilization of L-lactate by C. glutamicum. D-lactate also serves as sole carbon source for C. glutamicum ATCC 13032. Results Here, the gene cg1027 was shown to encode the quinone-dependent D-lactate dehydrogenase (Dld by enzymatic analysis of the protein purified from recombinant E. coli. The absorption spectrum of purified Dld indicated the presence of FAD as bound cofactor. Inactivation of dld resulted in the loss of the ability to grow with D-lactate, which could be restored by plasmid-borne expression of dld. Heterologous expression of dld from C. glutamicum ATCC 13032 in C. efficiens enabled this species to grow with D-lactate as sole carbon source. Homologs of dld of C. glutamicum ATCC 13032 are not encoded in the sequenced genomes of other corynebacteria and mycobacteria. However, the dld locus of C. glutamicum ATCC 13032 shares 2367 bp of 2372 bp identical nucleotides with the dld locus of Propionibacterium freudenreichii subsp. shermanii, a bacterium used in Swiss-type cheese making. Both loci are flanked by insertion sequences of the same family suggesting a possible event of horizontal gene transfer. Conclusions Cg1067 encodes quinone-dependent D-lactate dehydrogenase Dld of Corynebacterium glutamicum. Dld is essential for growth with D-lactate as sole carbon source. The genomic region of dld likely has been acquired by horizontal gene transfer.

  13. Effect of annealing on metastable shallow acceptors in Mg-doped GaN layers grown on GaN substrates

    OpenAIRE

    Pozina, Galia; Hemmingsson, Carl; Paskov, Plamen P.; Bergman, Peder; Monemar, Bo; Kawashima, T.; Amano, H.; Akasaki, I.; Usui, A.

    2008-01-01

    Mg-doped GaN layers grown by metal-organic vapor phase epitaxy on GaN substrates produced by the halide vapor phase technique demonstrate metastability of the near-band-gap photoluminescence (PL). The acceptor bound exciton (ABE) line possibly related to the C acceptor vanishes in as-grown samples within a few minutes under UV laser illumination. Annealing activates the more stable Mg acceptors and passivates C acceptors. Consequently, only the ABE line related to Mg is dominant in PL spectra...

  14. Blinking fluorescence of single donor-acceptor pairs: important role of "dark'' states in resonance energy transfer via singlet levels.

    Science.gov (United States)

    Osad'ko, I S; Shchukina, A L

    2012-06-01

    The influence of triplet levels on Förster resonance energy transfer via singlet levels in donor-acceptor (D-A) pairs is studied. Four types of D-A pair are considered: (i) two-level donor and two-level acceptor, (ii) three-level donor and two-level acceptor, (iii) two-level donor and three-level acceptor, and (iv) three-level donor and three-level acceptor. If singlet-triplet transitions in a three-level acceptor molecule are ineffective, the energy transfer efficiency E=I_{A}/(I_{A}+I_{D}), where I_{D} and I_{A} are the average intensities of donor and acceptor fluorescence, can be described by the simple theoretical equation E(F)=FT_{D}/(1+FT_{D}). Here F is the rate of energy transfer, and T_{D} is the donor fluorescence lifetime. In accordance with the last equation, 100% of the donor electronic energy can be transferred to an acceptor molecule at FT_{D}≫1. However, if singlet-triplet transitions in a three-level acceptor molecule are effective, the energy transfer efficiency is described by another theoretical equation, E(F)=F[over ¯](F)T_{D}/[1+F[over ¯](F)T_{D}]. Here F[over ¯](F) is a function of F depending on singlet-triplet transitions in both donor and acceptor molecules. Expressions for the functions F[over ¯](F) are derived. In this case the energy transfer efficiency will be far from 100% even at FT_{D}≫1. The character of the intensity fluctuations of donor and acceptor fluorescence indicates which of the two equations for E(F) should be used to find the value of the rate F. Therefore, random time instants of photon emission in both donor and acceptor fluorescence are calculated by the Monte Carlo method for all four types of D-A pair. Theoretical expressions for start-stop correlators (waiting time distributions) in donor and acceptor fluorescence are derived. The probabilities w_{N}^{D}(t) and w_{N}^{A}(t) of finding N photons of donor and acceptor fluorescence in the time interval t are calculated for various values of the energy

  15. Developments in the chemistry and band gap engineering of donor-acceptor substituted conjugated polymers

    NARCIS (Netherlands)

    Mullekom, van H.A.M.; Vekemans, J.A.J.M.; Havinga, E.E.; Meijer, E.W.

    2001-01-01

    This paper reviews the tools to manipulate and minimize the band gap of conjugated (co)polymers. The effects of minimization of the bond length alternation and of the incorporation of donor-K-acceptor units are discussed in particular. A systematic study of a series of alternating donor-acceptor

  16. Shallow acceptors in Ge/GeSi heterostructures with quantum wells in magnetic field

    International Nuclear Information System (INIS)

    Aleshkin, V.Ya.; Antonov, A.V.; Veksler, D.B.; Gavrilenko, V.I.; Erofeeva, I.V.; Ikonnikov, A.V.; Kozlov, D.V.; Spirin, K.E.; Kuznetsov, O.A.

    2005-01-01

    One investigated both theoretically and experimentally into shallow acceptors in Ge/GeSi heterostructures with quantum wells (QW) in a magnetic field. It is shown that alongside with lines of cyclotron resonance in magnetoabsorption spectra one observes transitions from the ground state of acceptor to the excited ones associated with the Landau levels from the first and the second subbands of dimensional quantization, and resonance caused by ionization of A + -centres. To describe impurity transitions in Ge/GeSi heterostructures with QW in a magnetic field and to interpret the experiment results in detail one uses numerical method of calculation based on expansion of wave function of acceptor in terms of basis of wave functions of holes in QW in the absence of magnetic field [ru

  17. Differences in gene expression of human xylosyltransferases and determination of acceptor specificities for various proteoglycans

    Energy Technology Data Exchange (ETDEWEB)

    Roch, Christina; Kuhn, Joachim; Kleesiek, Knut [Institut fuer Laboratoriums- und Transfusionsmedizin, Herz- und Diabeteszentrum NRW, Universitaetsklinik der Ruhr-Universitaet Bochum, 32545 Bad Oeynhausen (Germany); Goetting, Christian, E-mail: cgoetting@hdz-nrw.de [Institut fuer Laboratoriums- und Transfusionsmedizin, Herz- und Diabeteszentrum NRW, Universitaetsklinik der Ruhr-Universitaet Bochum, 32545 Bad Oeynhausen (Germany)

    2010-01-01

    The xylosyltransferase (XT) isoforms XT-I and XT-II initiate the posttranslational glycosaminoglycan (GAG) synthesis. Here, we determined the relative expression of both isoforms in 33 human cell lines. The majority of tested cell lines showed dominant XYLT2 gene expression, while only in 23132/87, JAR, NCI-H510A and THP-1 was the XT-I mRNA expression higher. Nearly equal expression levels were detected in six cell lines. Additionally, to shed light on putative differences in acceptor specificities the acceptor properties of potential acceptor sequences were determined. Peptides were expressed as glutathione-S-transferase fusion proteins containing putative or known GAG attachment sites of in vivo proteoglycans. Kinetic analysis showed that K{sub m} and V{sub max} values for XT-I mediated xylosylation were slightly higher than those for XT-II, and that XT-I showed a lesser stringency concerning the acceptor sequence. Mutagenesis of the bikunin peptide sequence in the G-S-G attachment site and flanking regions generated potential acceptor molecules. Here, mutations on the N-terminal side and the attachment site were found to be more susceptible to a loss of acceptor function than mutations in the C-terminus. Altogether the known consensus sequence a-a-a-a-G-S-G-a-a/G-a ('a' representing Asp or Glu) for XT-I mediated xylosylation could be approved and additionally extended to apply to XT-II as well.

  18. On the acceptor-related photoluminescence spectra of GaAs quantum-wire microcrystals: A model calculation

    International Nuclear Information System (INIS)

    Oliveira, L.E.; Porras Montenegro, N.; Latge, A.

    1992-07-01

    The acceptor-related photoluminescence spectrum of a GaAs quantum-wire microcrystal is theoretically investigated via a model calculation within the effective-mass approximation, with the acceptor envelope wave functions and binding energies calculated through a variational procedure. Typical theoretical photoluminescence spectra show two peaks associated to transitions from the n = 1 conduction subband electron gas to acceptors at the on-center and on-edge positions in the wire in good agreement with the recent experimental results by Hirum et al. (Appl. Phys. Lett. 59, 431 (1991)). (author). 14 refs, 3 figs

  19. The quality assurance process for the ARTSCAN head and neck study - A practical interactive approach for QA in 3DCRT and IMRT

    International Nuclear Information System (INIS)

    Johansson, Karl-Axel; Nilsson, Per; Zackrisson, Bjoern; Ohlson, Birgitta; Kjellen, Elisabeth; Mercke, Claes; Alvarez-Fonseca, Mauricio; Billstroem, Anette; Bjoerk-Eriksson, Thomas; Bjoer, Ove; Ekberg, Lars; Friesland, Signe; Karlsson, Magnus; Lagerlund, Magnus; Lundkvist, Lena; Loefroth, Per-Olov; Loefvander-Thapper, Kerstin; Nilsson, Alla; Nyman, Jan; Persson, Essie

    2008-01-01

    Aim: This paper describes the quality assurance (QA) work performed in the Swedish multicenter ARTSCAN (Accelerated RadioTherapy of Squamous cell CArcinomas in the head and Neck) trial to guarantee high quality in a multicenter study which involved modern radiotherapy such as 3DCRT or IMRT. Materials and methods: The study was closed in June 2006 with 750 randomised patients. Radiation therapy-related data for every patient were sent by each participating centre to the QA office where all trial data were reviewed, analysed and stored. In case of any deviation from the protocol, an interactive process was started between the QA office and the local responsible clinician and/or physicist to increase the compliance to the protocol for future randomised patients. Meetings and workshops were held on a regular basis for discussions on various trial-related issues and for the QA office to report on updated results. Results and discussion: This review covers the 734 patients out of a total of 750 who had entered the study. Deviations early in the study were corrected so that the overall compliance to the protocol was very high. There were only negligible variations in doses and dose distributions to target volumes for each specific site and stage. The quality of the treatments was high. Furthermore, an extensive database of treatment parameters was accumulated for future dose-volume vs. endpoint evaluations. Conclusions: This comprehensive QA programme increased the probability to draw firm conclusions from our study and may serve as a concept for QA work in future radiotherapy trials where comparatively small effects are searched for in a heterogeneous tumour population

  20. profile of intrauterine contraceptive device acceptors at the university

    African Journals Online (AJOL)

    ANNALS

    Conclusion: The acceptors of intrauterine contraceptive devices in our center were ... Conclusion: Les accepteurs de la contraception de substances médicamentenses dans notre centre .... sterilization due to cultural reasons is very low,13 the.

  1. SU-F-T-308: Mobius FX Evaluation and Comparison Against a Commercial 4D Detector Array for VMAT Plan QA

    International Nuclear Information System (INIS)

    Vazquez Quino, L; Huerta Hernandez, C; Morrow, A; Massingill, B; Rangaraj, D

    2016-01-01

    Purpose: To evaluate the use of MobiusFX as a pre-treatment verification IMRT QA tool and compare it with a commercial 4D detector array for VMAT plan QA. Methods: 15 VMAT plan QA of different treatment sites were delivered and measured by traditional means with the 4D detector array ArcCheck (Sun Nuclear corporation) and at the same time measurement in linac treatment logs (Varian Dynalogs files) were analyzed from the same delivery with MobiusFX software (Mobius Medical Systems). VMAT plan QAs created in Eclipse treatment planning system (Varian) in a TrueBeam linac machine (Varian) were delivered and analyzed with the gamma analysis routine from SNPA software (Sun Nuclear corporation). Results: Comparable results in terms of the gamma analysis with 99.06% average gamma passing with 3%,3mm passing rate is observed in the comparison among MobiusFX, ArcCheck measurements, and the Treatment Planning System dose calculated. When going to a stricter criterion (1%,1mm) larger discrepancies are observed in different regions of the measurements with an average gamma of 66.24% between MobiusFX and ArcCheck. Conclusion: This work indicates the potential for using MobiusFX as a routine pre-treatment patient specific IMRT method for quality assurance purposes and its advantages as a phantom-less method which reduce the time for IMRT QA measurement. MobiusFX is capable of produce similar results of those by traditional methods used for patient specific pre-treatment verification VMAT QA. Even the gamma results comparing to the TPS are similar the analysis of both methods show that the errors being identified by each method are found in different regions. Traditional methods like ArcCheck are sensitive to setup errors and dose difference errors coming from the linac output. On the other hand linac log files analysis record different errors in the VMAT QA associated with the MLCs and gantry motion that by traditional methods cannot be detected.

  2. TU-G-BRD-06: The Imaging and Radiation Oncology Core Houston (IROC Houston) QA Center International Activities Outside North America

    Energy Technology Data Exchange (ETDEWEB)

    Followill, D; Kry, S; Molineu, A; Lowenstein, J; Alvarez, P; Taylor, P; Nguyen, H; Hernandez, N; Lujano, C; Nguyen, T; Keith, T; Roll, J; Tailor, A [UT MD Anderson Cancer Center, Houston, TX (United States)

    2015-06-15

    Purpose: To describe the extent of IROC Houston’s (formerly the RPC) QA activities and audit results for radiotherapy institutions outside of North America (NA). Methods: The IROC Houston’s QA program components were designed to audit the radiation dose calculation chain from the NIST traceable reference beam calibration, to inclusion of dosimetry parameters used to calculate tumor doses, to the delivery of the radiation dose. The QA program provided to international institutions includes: 1) remote TLD/OSLD audit of machine output, 2) credentialing for advanced technologies, and 3) review of patient treatment records. IROC Houston uses the same standards and acceptance criteria for all of its audits whether for North American or international sites. Results: IROC Houston’s QA program has reached out to radiotherapy sites in 43 different countries since 2013 through their participation in clinical trials. In the past two years, 2,778 international megavoltage beam outputs were audited with OSLD/TLD. While the average IROC/Inst ratio is near unity for all sites monitored, there are international regions whose results are significantly different from the NA region. In the past 2 years, 477 and 87 IMRT H&N phantoms were irradiated at NA and international sites, respectively. Regardless of the OSLD beam audit results, the overall pass rate (87 percent) for all international sites (no region separation) is equal to the NA sites. Of the 182 international patient charts reviewed, 10.7 percent of the dose calculation points did not meet our acceptance criterion as compared to 13.6 percent for NA sites. The lower pass rate for NA sites results from a much larger brachytherapy component which has been shown to be more error prone. Conclusion: IROC Houston has expanded its QA services worldwide and continues a long history of improving radiotherapy dose delivery in many countries. Funding received for QA audit services from the Korean GOG, DAHANCA, EORTC, ICON and CMIC

  3. TU-G-BRD-06: The Imaging and Radiation Oncology Core Houston (IROC Houston) QA Center International Activities Outside North America

    International Nuclear Information System (INIS)

    Followill, D; Kry, S; Molineu, A; Lowenstein, J; Alvarez, P; Taylor, P; Nguyen, H; Hernandez, N; Lujano, C; Nguyen, T; Keith, T; Roll, J; Tailor, A

    2015-01-01

    Purpose: To describe the extent of IROC Houston’s (formerly the RPC) QA activities and audit results for radiotherapy institutions outside of North America (NA). Methods: The IROC Houston’s QA program components were designed to audit the radiation dose calculation chain from the NIST traceable reference beam calibration, to inclusion of dosimetry parameters used to calculate tumor doses, to the delivery of the radiation dose. The QA program provided to international institutions includes: 1) remote TLD/OSLD audit of machine output, 2) credentialing for advanced technologies, and 3) review of patient treatment records. IROC Houston uses the same standards and acceptance criteria for all of its audits whether for North American or international sites. Results: IROC Houston’s QA program has reached out to radiotherapy sites in 43 different countries since 2013 through their participation in clinical trials. In the past two years, 2,778 international megavoltage beam outputs were audited with OSLD/TLD. While the average IROC/Inst ratio is near unity for all sites monitored, there are international regions whose results are significantly different from the NA region. In the past 2 years, 477 and 87 IMRT H&N phantoms were irradiated at NA and international sites, respectively. Regardless of the OSLD beam audit results, the overall pass rate (87 percent) for all international sites (no region separation) is equal to the NA sites. Of the 182 international patient charts reviewed, 10.7 percent of the dose calculation points did not meet our acceptance criterion as compared to 13.6 percent for NA sites. The lower pass rate for NA sites results from a much larger brachytherapy component which has been shown to be more error prone. Conclusion: IROC Houston has expanded its QA services worldwide and continues a long history of improving radiotherapy dose delivery in many countries. Funding received for QA audit services from the Korean GOG, DAHANCA, EORTC, ICON and CMIC

  4. Vitamin E and vitamin E-quinone levels in red blood cells and plasma of newborn infants and their mothers.

    Science.gov (United States)

    Jain, S K; Wise, R; Bocchini, J J

    1996-02-01

    Vitamin E is a physiological antioxidant and protects cell membranes from oxidative damage. This study has determined whether vitamin E level in RBC of newborns has any relationship with its level in their mothers. We have also examined levels of vitamin E and vitamin E-quinone, an oxidized product of vitamin E, in paired samples of red blood cells (RBC) and plasma of newborns and their mothers. Blood was collected from 26 mothers and their full-term placental cords at delivery. Vitamin E and vitamin E-quinone levels were determined in RBC and plasma by HPLC. Newborn-plasma had significantly lower vitamin E levels compared with maternal-plasma both when expressed as nmole/ml (5.5+/-0.4 vs 26.1+/-1.1, p = 0.0001) or nmole/mumole total lipids (1.9+/-0.1 vs 2.6+/-0.1, p = 0.0001). Vitamin E level in the newborn-RBC was similar to that of maternal-RBC when expressed as nmole/ml packed cells (2.77+/-0.14 vs 2.95+/-0.13), but was significantly lower when expressed as nmole/mumole total lipids (0.56+/-0.03 vs 0.64+/-0.04, p = 0.03) from that of maternal-RBC. Vitamin E-quinone levels are significantly elevated in newborns compared with their mothers both in RBC (29.4+/-2.1 vs 24.1+/-1.2, p = 0.04) and plasma (39.9+/-5.3 vs 25.3+/-4.2, p = 0.006) when expressed as nmole/mmole total lipids but not when expressed as nmole/ml. There was a significant correlation of vitamin E between newborn-plasma and newborn-RBC (r = 0.65, p = 0.0002 for nmole per ml packed RBC;r = 0.63, p = 0.0007 for nmole per mumole total lipids). The relationship between maternal plasma and newborn plasma was significant when vitamin E was normalized with nmole/mumole total lipid (r = 0.54, p = 0.007 but not when expressed as nmole/ml (r = 0.09, p = 0.64). However, vitamin E in the RBC of maternal and newborn had significant correlation when expressed as per ml packed cells (r = 0.61, p = 0.001) and per total lipid (r = 0.46, p = 0.02). There was no relationship of vitamin E-quinone levels between RBC and

  5. Identification of a multi-protein reductive dehalogenase complex in Dehalococcoides mccartyi strain CBDB1 suggests a protein-dependent respiratory electron transport chain obviating quinone involvement

    DEFF Research Database (Denmark)

    Kublik, Anja; Deobald, Darja; Hartwig, Stefanie

    2016-01-01

    electrophoresis (BN-PAGE), gel filtration and ultrafiltration an active dehalogenating protein complex with a molecular mass of 250–270 kDa was identified. The active subunit of reductive dehalogenase (RdhA) colocalised with a complex iron-sulfur molybdoenzyme (CISM) subunit (CbdbA195) and an iron-sulfur cluster...... of the dehalogenating complex prior to membrane solubilisation. Taken together, the identification of the respiratory dehalogenase protein complex and the absence of indications for quinone participation in the respiration suggest a quinone-independent protein-based respiratory electron transfer chain in D. mccartyi....

  6. Acceptor thickness effect of exciplex and electroplex emission at heterojunction interface in organic light-emitting diodes

    Science.gov (United States)

    Zhang, Wei; Yu, Junsheng; Yuan, Kai; Jiang, Yadong; Zhang, Qing; Cao, Kangli

    2010-10-01

    Organic light-emitting diodes (OLEDs) consisted of a novel fluorene derivative of 5,6-bis(9,9-dihexyl-9H-fluoren-2-yl)- 2,3-diisocyano-2,3-dihydropyrazine (BDHFLCNPy) and a hole transporting material of N,N'-Di-[(1-naphthalenyl)- N,N'-diphenyl](1,1'-biphenyl)-4,4'-diamine (NPB) were fabricated, and electroluminescence (EL) spectrum of devices were investigated. It was found that light emission around 650 nm observed in devices came from exciplex generated at heterojunction interface by NPB molecules worked as electron donor and BDHFLCNPy molecules worked as electron acceptor. Moreover, a shoulder peak around 500 nm ascribed to BDHFLCNPy exciton was observed. To systemically study the effect of heterojunction structure in exciplex formation, OLEDs with different thickness of acceptor were fabricated. The results illustrated that a shoulder peak around 600 nm occurred in EL when acceptor thickness increases, and BDHFLCNPy exciton emitting strength is relatively altered. The emission band around 600 nm is due to electroplex. The L-V-J properties of OLEDs show that device with the thinnest acceptor layer has the highest luminance and current density. On the contrary, OLEDs with thicker acceptor layer have higher luminance efficiency. The different recombination mechanism of exciton, exciplex and electroplex in heterojunction were studied. Furthermore, the acceptor thickness effect of exciplex and electroplex generating mechanism and energy transferring mechanism between them was also discussed.

  7. Förster Resonance Energy Transfer between Quantum Dot Donors and Quantum Dot Acceptors

    Science.gov (United States)

    Chou, Kenny F.; Dennis, Allison M.

    2015-01-01

    Förster (or fluorescence) resonance energy transfer amongst semiconductor quantum dots (QDs) is reviewed, with particular interest in biosensing applications. The unique optical properties of QDs provide certain advantages and also specific challenges with regards to sensor design, compared to other FRET systems. The brightness and photostability of QDs make them attractive for highly sensitive sensing and long-term, repetitive imaging applications, respectively, but the overlapping donor and acceptor excitation signals that arise when QDs serve as both the donor and acceptor lead to high background signals from direct excitation of the acceptor. The fundamentals of FRET within a nominally homogeneous QD population as well as energy transfer between two distinct colors of QDs are discussed. Examples of successful sensors are highlighted, as is cascading FRET, which can be used for solar harvesting. PMID:26057041

  8. TU-E-BRB-02: DIR QA Options and Research Development

    International Nuclear Information System (INIS)

    Kirby, N.

    2015-01-01

    Deformable image registration (DIR) is developing rapidly and is poised to substantially improve dose fusion accuracy for adaptive and retreatment planning and motion management and PET fusion to enhance contour delineation for treatment planning. However, DIR dose warping accuracy is difficult to quantify, in general, and particularly difficult to do so on a patient-specific basis. As clinical DIR options become more widely available, there is an increased need to understand the implications of incorporating DIR into clinical workflow. Several groups have assessed DIR accuracy in clinically relevant scenarios, but no comprehensive review material is yet available. This session will also discuss aspects of the AAPM Task Group 132 on the Use of Image Registration and Data Fusion Algorithms and Techniques in Radiotherapy Treatment Planning official report, which provides recommendations for DIR clinical use. We will summarize and compare various commercial DIR software options, outline successful clinical techniques, show specific examples with discussion of appropriate and inappropriate applications of DIR, discuss the clinical implications of DIR, provide an overview of current DIR error analysis research, review QA options and research phantom development and present TG-132 recommendations. Learning Objectives: Compare/contrast commercial DIR software and QA options Overview clinical DIR workflow for retreatment To understand uncertainties introduced by DIR Review TG-132 proposed recommendations

  9. TU-E-BRB-02: DIR QA Options and Research Development

    Energy Technology Data Exchange (ETDEWEB)

    Kirby, N. [University of Texas HSC SA (United States)

    2015-06-15

    Deformable image registration (DIR) is developing rapidly and is poised to substantially improve dose fusion accuracy for adaptive and retreatment planning and motion management and PET fusion to enhance contour delineation for treatment planning. However, DIR dose warping accuracy is difficult to quantify, in general, and particularly difficult to do so on a patient-specific basis. As clinical DIR options become more widely available, there is an increased need to understand the implications of incorporating DIR into clinical workflow. Several groups have assessed DIR accuracy in clinically relevant scenarios, but no comprehensive review material is yet available. This session will also discuss aspects of the AAPM Task Group 132 on the Use of Image Registration and Data Fusion Algorithms and Techniques in Radiotherapy Treatment Planning official report, which provides recommendations for DIR clinical use. We will summarize and compare various commercial DIR software options, outline successful clinical techniques, show specific examples with discussion of appropriate and inappropriate applications of DIR, discuss the clinical implications of DIR, provide an overview of current DIR error analysis research, review QA options and research phantom development and present TG-132 recommendations. Learning Objectives: Compare/contrast commercial DIR software and QA options Overview clinical DIR workflow for retreatment To understand uncertainties introduced by DIR Review TG-132 proposed recommendations.

  10. SU-E-T-422: Correlation Between 2D Passing Rates and 3D Dose Differences for Pretreatment VMAT QA

    International Nuclear Information System (INIS)

    Jin, X; Xie, C

    2014-01-01

    Purpose: Volumetric modulated arc therapy (VMAT) quality assurance (QA) is typically using QA methods and action levels taken from fixedbeam intensity-modulated radiotherapy (IMRT) QA methods. However, recent studies demonstrated that there is no correlation between the percent gamma passing rate (%GP) and the magnitude of dose discrepancy between the planned dose and the actual delivered dose for IMRT. The purpose of this study is to investigate whether %GP is correlated with clinical dosimetric difference for VMAT. Methods: Twenty nasopharyngeal cancer (NPC) patients treated with dual-arc simultaneous integrated boost VMAT and 20 esophageal cancer patients treated with one-arc VMAT were enrolled in this study. Pretreatment VMAT QA was performed by a 3D diode array ArcCheck. Acceptance criteria of 2%/2mm, 3%/3mm, and 4%/4mm were applied for 2D %GP. Dose values below 10% of the per-measured normalization maximum dose were ignored.Mean DVH values obtained from 3DVH software and TPS were calculated and percentage dose differences were calculated. Statistical correlation between %GP and percent dose difference was studied by using Pearson correlation. Results: The %GP for criteria 2%/2mm, 3%/3mm, and 4%/4mm were 82.33±4.45, 93.47±2.31, 97.13±2.41, respectively. Dose differences calculated from 3DVH and TPS for beam isocenter, mean dose of PTV, maximum dose of PTV, D2 of PTV and D98 of PTV were -1.04±3.24, -0.74±1.71, 2.92±3.62, 0.89±3.29, -1.46±1.97, respectively. No correction were found between %GP and dose differences. Conclusion: There are weak correlations between the 2D %GP and dose differences calculated from 3DVH. The %GP acceptance criteria of 3%/3mm usually applied for pretreatment QA of IMRT and VMAT is not indicating strong clinical correlation with 3D dose difference. 3D dose reconstructions on patient anatomy may be necessary for physicist to predict the accuracy of delivered dose for VMAT QA

  11. In vitro antifungal effect of black cumin seed quinones against dairy spoilage yeasts at different acidity levels.

    Science.gov (United States)

    Halamova, Katerina; Kokoska, Ladislav; Flesar, Jaroslav; Sklenickova, Olga; Svobodova, Blanka; Marsik, Petr

    2010-12-01

    The antiyeast activity of the black cumin seed (Nigella sativa) quinones dithymoquinone, thymohydroquinone (THQ), and thymoquinone (TQ) were evaluated in vitro with a broth microdilution method against six dairy spoilage yeast species. Antifungal effects of the quinones were compared with those of preservatives commonly used in milk products (calcium propionate, natamycin, and potassium sorbate) at two pH levels (4.0 and 5.5). THQ and TQ possessed significant antiyeast activity and affected the growth of all strains tested at both pH levels, with MICs ranging from 8 to 128 μg/ml. With the exception of the antibiotic natamycin, the inhibitory effects of all food preservatives against the yeast strains tested in this study were strongly affected by differences in pH, with MICs of ≥16 and ≥512 μg/ml at pH 4.0 and 5.5, respectively. These findings suggest that HQ and TQ are effective antiyeast agents that could be used in the dairy industry as chemical preservatives of natural origin.

  12. Deep and shallow acceptor levels in solid solutions Pb0.98Sm0.02S

    International Nuclear Information System (INIS)

    Hasanov, H.A.; Rahimov, R.Sh.

    2010-01-01

    It is well known that the metal vacancies the energy levels of which take place between permitted energies of valency band, are the main acceptor centers in the led salts and solid solutions on their base. The aim of the given paper is founding of character of acceptor levels in single crystals Pb 0 .98Sm 0 .02S with low concentrations of charge carrier. The deep and shallow acceptor levels are found at investigation of Hall effect in Pb 0 .98Sm 0 .02S solid solution with character of low concentrations of charge carriers in crystals

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

    Science.gov (United States)

    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.

  14. Amine donor and acceptor influence on the thermodynamics of ω-transaminase reactions

    DEFF Research Database (Denmark)

    Gundersen, Maria T.; Abu, Rohana; Schürmann, Martin

    2015-01-01

    In recent years biocatalytic transamination using ω-transaminase has become established as one of the most interesting routes to synthesize chiral amines with a high enantiomeric purity, especially in the pharmaceutical sector where the demand for such compounds is high. Nevertheless, one limitat...... of such reactions because it may be used to help select suitable donor/acceptor combinations. The results presented here give guidance, with respect to thermodynamics, in order to further extend the application of biocatalytic transamination....... limitation for successful implementation and scale-up is that the thermodynamics of such conversions are frequently found unfavourable. Herein we report experimental measurements of apparent equilibrium constants for several industrially relevant transamination reactions in a systematic manner to better...... understand the effect of amine acceptor and donor choice. For example, we have found that ortho-substitution of acetophenone like molecules, had a significant impact on the thermodynamic equilibrium. Likewise, the effect of cyclic amine acceptors was evaluated and compared to similar non-cyclic structures...

  15. Study of microbial perchlorate reduction: Considering of multiple pH, electron acceptors and donors

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Xing [Key Laboratory of Water Pollution Control and Recycling (Shandong), School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Gao, Baoyu, E-mail: bygao@sdu.edu.cn [Key Laboratory of Water Pollution Control and Recycling (Shandong), School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Jin, Bo [School of Chemical Engineering, The University of Adelaide, Adelaide SA 5005,Australia (Australia); Zhen, Hu [Key Laboratory of Water Pollution Control and Recycling (Shandong), School of Environmental Science and Engineering, Shandong University, Jinan 250100 (China); Wang, Xiaoyi [CSIRO Land and Water, Gate 5, Waite Road, Urrbrae, SA 5064 (Australia); Dai, Ming [School of Chemical Engineering, The University of Adelaide, Adelaide SA 5005,Australia (Australia)

    2015-03-21

    Graphical abstract: Schemes of perchlorate reduction in ClO{sub 4}{sup −}/ClO{sub 3}{sup −}–NO{sub 3}{sup −} e{sup −}acceptor systems. - Highlights: • We created a multiple electron acceptor/donor system for ClO{sub 4}{sup −} reduction. • Nitrate reduction was inhibited when using perchlorate-grown Azospira sp. KJ. • Reduction proceeded as an order of ClO{sub 3}{sup −}, ClO{sub 4}{sup −}and NO{sub 3}{sup −}. • Oxidation of acetate was inhibited by succinate in acetate–succinate series. - Abstract: Bioremediation of perchlorate-cotaminated water by a heterotrophic perchlorate reducing bacterium creates a multiple electron acceptor-donor system. We experimentally determined the perchlorate reduction by Azospira sp. KJ at multiple pH, electron acceptors and donors systems; this was the aim of this study. Perchlorate reduction was drastically inhibited at the pH 6.0, and the maximum reduction of perchlorate by Azospira sp. KJ was observed at pH value of 8.0. Perchlorate reduction was retarded in ClO{sub 4}{sup −}–ClO{sub 3}{sup −}, ClO{sub 4}{sup −}–ClO{sub 3}{sup −}–NO{sub 3}{sup −},and ClO{sub 4}{sup −}–NO{sub 3}{sup −} acceptor systems, while being completely inhibited by the additional O{sub 2} in the ClO{sub 4}{sup −}–O{sub 2} acceptor system. The reduction proceeded as an order of ClO{sub 3}{sup −}, ClO{sub 4}{sup −}, and NO{sub 3}{sup −} in the ClO{sub 4}{sup −}–ClO{sub 3}{sup −}–NO{sub 3}{sup −} system. K{sub S,}v{sub max}, and q{sub max} obtained at different e{sup −} acceptor and donor conditions are calculated as 140.5–190.6 mg/L, 8.7–13.2 mg-perchlorate/L-h, and 0.094–0.16 mg-perchlorate/mg-DW-h, respectively.

  16. Fullerene derivatives as electron acceptors for organic photovoltaic cells.

    Science.gov (United States)

    Mi, Dongbo; Kim, Ji-Hoon; Kim, Hee Un; Xu, Fei; Hwang, Do-Hoon

    2014-02-01

    Energy is currently one of the most important problems humankind faces. Depletion of traditional energy sources such as coal and oil results in the need to develop new ways to create, transport, and store electricity. In this regard, the sun, which can be considered as a giant nuclear fusion reactor, represents the most powerful source of energy available in our solar system. For photovoltaic cells to gain widespread acceptance as a source of clean and renewable energy, the cost per watt of solar energy must be decreased. Organic photovoltaic cells, developed in the past two decades, have potential as alternatives to traditional inorganic semiconductor photovoltaic cells, which suffer from high environmental pollution and energy consumption during production. Organic photovoltaic cells are composed of a blended film of a conjugated-polymer donor and a soluble fullerene-derivative acceptor sandwiched between a poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)-coated indium tin oxide positive electrode and a low-work-function metal negative electrode. Considerable research efforts aim at designing and synthesizing novel fullerene derivatives as electron acceptors with up-raised lowest unoccupied molecular orbital energy, better light-harvesting properties, higher electron mobility, and better miscibility with the polymer donor for improving the power conversion efficiency of the organic photovoltaic cells. In this paper, we systematically review novel fullerene acceptors synthesized through chemical modification for enhancing the photovoltaic performance by increasing open-circuit voltage, short-circuit current, and fill factor, which determine the performance of organic photovoltaic cells.

  17. Building Watson: An Overview of the DeepQA Project

    OpenAIRE

    Ferrucci, David; Brown, Eric; Chu-Carroll, Jennifer; Fan, James; Gondek, David; Kalyanpur, Aditya A.; Lally, Adam; Murdock, J. William; Nyberg, Eric; Prager, John; Schlaefer, Nico; Welty, Chris

    2010-01-01

    IBM Research undertook a challenge to build a computer system that could compete at the human champion level in real time on the American TV Quiz show, Jeopardy! The extent of the challenge includes fielding a real-time automatic contestant on the show, not merely a laboratory exercise. The Jeopardy! Challenge helped us address requirements that led to the design of the DeepQA architecture and the implementation of Watson. After 3 years of intense research and development by a core team of ab...

  18. From Q&A to Slumdog Millionaire: it’s written

    OpenAIRE

    Bulger, Laura Fernanda

    2009-01-01

    In this paper, we seek to analyse the film adaptation of Vikas Swarup’ novel, Q&A, published in 2005. Slumdog Millionaire was directed by British filmmaker Danny Boyle and released in 2008. Thus, three years after its publication, Vikas Swarup’s novel was turned into a blockbuster earning successive awards including the 2009 Best Picture Award from the Hollywood Academy. Its success was not the result of a mega “business strategy”; it was largely due to Danny Boyle’s direction and Simon Beauf...

  19. Photoluminescence quenching through resonant energy transfer in blends of conjugated polymer with low-molecular acceptor

    International Nuclear Information System (INIS)

    Zapunidi, S. A.; Paraschuk, D. Yu.

    2008-01-01

    A model is proposed for photoluminescence quenching due to resonant energy transfer in a blend of a conjugated polymer and a low-molecular energy acceptor. An analytical dependence of the normalized photoluminescence intensity on the acceptor concentration is derived for the case of a homogeneous blend. This dependence can be described by two fitting parameters related to the Foerster radii for energy transfer between conjugated segments of the polymer and between the conjugated polymer segment and the energy acceptor. Asymptotic approximations are obtained for the model dependence that make it possible to estimate the contribution from the spatial migration of excitons to the photoluminescence quenching. The proposed model is used to analyze experimental data on the photoluminescence quenching in a blend of the soluble derivative of poly(p-phenylene vinylene) and trinitrofluorenone [13]. The Foerster radius for resonant energy transfer between the characteristic conjugated segment of poly(p-phenylene vinylene) and the energy acceptor is determined to be r F = 2.6 ± 0.3 nm

  20. Charge transfer complex studies between some non-steroidal anti-inflammatory drugs and π-electron acceptors

    Science.gov (United States)

    Duymus, Hulya; Arslan, Mustafa; Kucukislamoglu, Mustafa; Zengin, Mustafa

    2006-12-01

    Charge transfer (CT) complexes of some non-steroidal anti-inflammatory drugs, naproxen and etodolac which are electron donors with some π-acceptors, such as tetracyanoethylene (TCNE), 2,3-dichloro-5,6-dicyano- p-benzoquinone (DDQ), p-chloranil ( p-CHL), have been investigated spectrophotometrically in chloroform at 21 °C. The coloured products are measured spectrophotometrically at different wavelength depending on the electronic transition between donors and acceptors. Beer's law is obeyed and colours were produced in non-aqueous media. All complexes were stable at least 2 h except for etodolac with DDQ stable for 5 min. The equilibrium constants of the CT complexes were determined by the Benesi-Hildebrand equation. The thermodynamic parameters Δ H, Δ S, Δ G° were calculated by Van't Hoff equation. Stochiometries of the complexes formed between donors and acceptors were defined by the Job's method of the continuous variation and found in 1:1 complexation with donor and acceptor at the maximum absorption bands in all cases.

  1. Hydroquinone and quinone-grafted porous carbons for highly selective CO2 capture from flue gases and natural gas upgrading

    NARCIS (Netherlands)

    Wang, J.; Krishna, R.; Yang, J.; Deng, S.

    2015-01-01

    Hydroquinone and quinone functional groups were grafted onto a hierarchical porous carbon framework via the Friedel-Crafts reaction to develop more efficient adsorbents for the selective capture and removal of carbon dioxide from flue gases and natural gas. The oxygen-doped porous carbons were

  2. Förster Resonance Energy Transfer between Quantum Dot Donors and Quantum Dot Acceptors

    Directory of Open Access Journals (Sweden)

    Kenny F. Chou

    2015-06-01

    Full Text Available Förster (or fluorescence resonance energy transfer amongst semiconductor quantum dots (QDs is reviewed, with particular interest in biosensing applications. The unique optical properties of QDs provide certain advantages and also specific challenges with regards to sensor design, compared to other FRET systems. The brightness and photostability of QDs make them attractive for highly sensitive sensing and long-term, repetitive imaging applications, respectively, but the overlapping donor and acceptor excitation signals that arise when QDs serve as both the donor and acceptor lead to high background signals from direct excitation of the acceptor. The fundamentals of FRET within a nominally homogeneous QD population as well as energy transfer between two distinct colors of QDs are discussed. Examples of successful sensors are highlighted, as is cascading FRET, which can be used for solar harvesting.

  3. [A Quality Assurance (QA) System with a Web Camera for High-dose-rate Brachytherapy].

    Science.gov (United States)

    Hirose, Asako; Ueda, Yoshihiro; Oohira, Shingo; Isono, Masaru; Tsujii, Katsutomo; Inui, Shouki; Masaoka, Akira; Taniguchi, Makoto; Miyazaki, Masayoshi; Teshima, Teruki

    2016-03-01

    The quality assurance (QA) system that simultaneously quantifies the position and duration of an (192)Ir source (dwell position and time) was developed and the performance of this system was evaluated in high-dose-rate brachytherapy. This QA system has two functions to verify and quantify dwell position and time by using a web camera. The web camera records 30 images per second in a range from 1,425 mm to 1,505 mm. A user verifies the source position from the web camera at real time. The source position and duration were quantified with the movie using in-house software which was applied with a template-matching technique. This QA system allowed verification of the absolute position in real time and quantification of dwell position and time simultaneously. It was evident from the verification of the system that the mean of step size errors was 0.31±0.1 mm and that of dwell time errors 0.1±0.0 s. Absolute position errors can be determined with an accuracy of 1.0 mm at all dwell points in three step sizes and dwell time errors with an accuracy of 0.1% in more than 10.0 s of the planned time. This system is to provide quick verification and quantification of the dwell position and time with high accuracy at various dwell positions without depending on the step size.

  4. A quality assurance (QA) system with a web camera for high-dose-rate brachytherapy

    International Nuclear Information System (INIS)

    Hirose, Asako; Ueda, Yoshihiro; Ohira, Shingo

    2016-01-01

    The quality assurance (QA) system that simultaneously quantifies the position and duration of an 192 Ir source (dwell position and time) was developed and the performance of this system was evaluated in high-dose-rate brachytherapy. This QA system has two functions to verify and quantify dwell position and time by using a web camera. The web camera records 30 images per second in a range from 1,425 mm to 1,505 mm. A user verifies the source position from the web camera at real time. The source position and duration were quantified with the movie using in-house software which was applied with a template-matching technique. This QA system allowed verification of the absolute position in real time and quantification of dwell position and time simultaneously. It was evident from the verification of the system that the mean of step size errors was 0.3±0.1 mm and that of dwell time errors 0.1 ± 0.0 s. Absolute position errors can be determined with an accuracy of 1.0 mm at all dwell points in three step sizes and dwell time errors with an accuracy of 0.1% in more than 10.0 s of the planned time. This system is to provide quick verification and quantification of the dwell position and time with high accuracy at various dwell positions without depending on the step size. (author)

  5. Intensity-modulated radiation therapy: dynamic MLC (DMLC) therapy, multisegment therapy and tomotherapy. An example of QA in DMLC therapy

    International Nuclear Information System (INIS)

    Webb, S.

    1998-01-01

    Intensity-modulated radiation therapy will make a quantum leap in tumor control. It is the new radiation therapy for the new millennium. The major methods to achieve IMRT are: 1. Dynamic multileaf collimator (DMLC) therapy, 2. multisegment therapy, and 3. tomotherapy. The principles of these 3 techniques are briefly reviewed. Each technique presents unique QA issues which are outlined. As an example this paper will present the results of a recent new study of an important QA concern in DMLC therapy. (orig.) [de

  6. Evaluation of Uncertainty of IMRT QA Using 2 Dimensional Array Detector for Head and Neck Patients

    International Nuclear Information System (INIS)

    Ban, Tae Joon; Lee, Woo Suk; Kim, Dae Sup; Baek, Geum Mun; Kwak, Jung Won

    2011-01-01

    IMRT QA using 2 Dimensional array detector is carried out with condition for discrete dose distribution clinically. And it can affect uncertainty of evaluation using gamma method. We analyze gamma index variation according to grid size and suggest validate range of grid size for IMRT QA in Hospital. We performed QA using OniPro I'mRT system software version 1.7b on 10 patients (head and neck) for IMRT. The reference dose plane (grid size, 0.1 cm; location, [0, 0, 0]) from RTP was compared with the dose plane that has different grid size (0.1 cm, 0.5 cm, 1.0 cm, 2.0 cm, 4.0 cm) and different location (along Y-axis 0 cm, 0.2 cm, 0.5 cm, 1.0 cm). The gamma index variation was evaluated by observing the level of changes in Gamma pass rate, Average signal, Standard deviation for each case. The average signal for each grid size showed difference levels of 0%, -0.19%, -0.04%, -0.46%, -8.32% and the standard deviation for each grid size showed difference levels of 0%, -0.30%, 1.24%, -0.70%, -7.99%. The gamma pass rate for each grid size showed difference levels of 0%, 0.27%, -1.43%, 5.32%, 5.60%. The gamma evaluation results according to distance in grid size range of 0.1 cm to 1.0 cm showed good agreement with reference condition (grid size 0.1 cm) within 1.5% and over 5% in case of the grid size was greater than 2.0 cm. We recognize that the grid size of gamma evaluation can make errors of IMRT QA. So we have to consider uncertainty of gamma evaluation according to the grid size and apply smaller than 2 cm grid size to reduce error and increase accuracy clinically.

  7. Sci-Fri PM: Radiation Therapy, Planning, Imaging, and Special Techniques - 06: Patient-specific QA Procedure for Gated VMAT SABR Treatments using 10x Beam in Flattening-Filter Free Mode

    Energy Technology Data Exchange (ETDEWEB)

    Mestrovic, Ante; Chitsazzadeh, Shadi; Wells, Derek M.; Gray, Stephen [University of Calgary, Tom Baker Cancer Centre, Tom Baker Cancer Centre (Canada)

    2016-08-15

    Purpose: To develop a highly sensitive patient specific QA procedure for gated VMAT stereotactic ablative radiotherapy (SABR) treatments. Methods: A platform was constructed to attach the translational stage of a Quasar respiratory motion phantom to a pinpoint ion chamber insert and move the ion chamber inside the ArcCheck. The Quasar phantom controller uses a patient-specific breathing pattern to translate the ion chamber in a superior-inferior direction inside the ArcCheck. With this system the ion chamber is used to QA the correct phase of the gated delivery and the ArcCheck diodes are used to QA the overall dose distribution. This novel approach requires a single plan delivery for a complete QA of a gated plan. The sensitivity of the gating QA procedure was investigated with respect to the following parameters: PTV size, exhale duration, baseline drift, gating window size. Results: The difference between the measured dose to a point in the penumbra and the Eclipse calculated dose was under 2% for small residual motions. The QA procedure was independent of PTV size and duration of exhale. Baseline drift and gating window size, however, significantly affected the penumbral dose measurement, with differences of up to 30% compared to Eclipse. Conclusion: This study described a highly sensitive QA procedure for gated VMAT SABR treatments. The QA outcome was dependent on the gating window size and baseline drift. Analysis of additional patient breathing patterns is currently undergoing to determine a clinically relevant gating window size and an appropriate tolerance level for this procedure.

  8. ATLAS IBL Stave QA - In and Around SR1

    CERN Document Server

    Carney, Rebecca

    2013-01-01

    During the Phase-I upgrade the ATLAS Inner tracker will have a whole new layer of pixels inserted between the existing B-layer and a new, smaller, beam pipe. Briefly, there are 14 assemblies of 32 single and double-chip hybrid silicon pixel chips arranged side-by-side on light-weight, thermally conductive carbon-fibre coated carbon foam supports called staves. When the staves arrive at CERN, fully assembled, they undergo a QA procedure, which checks the power characteristics of sensors and read-out chips, and assess the quality of individual pixels.

  9. Organic charge transfer phase formation in thin films of the BEDT-TTF/TCNQ donor-acceptor system

    DEFF Research Database (Denmark)

    Solovyeva, Vita; Keller, K.; Huth, M.

    2009-01-01

    We have performed charge transfer phase formation studies on the donor/acceptor system bis-(ethylendithio)tetrathiafulvalene (BEDT-TTF)/tetracyanoquinodimethane,(TCNQ) by means of physical vapor deposition. We prepared donor/acceptor bilayer structures on glass and Si(100)/SiO substrates held...

  10. Synthesis of α- and β-lapachone derivatives from hetero diels-alder trapping of alkyl and aryl o-quinone methides

    International Nuclear Information System (INIS)

    Silva, Fernando de C. da; Ferreira, Sabrina B.; Ferreira, Vitor F.; Kaiser, Carlos R.; Pinto, Angelo C.

    2009-01-01

    Methylene and aryl o-quinone methides (o-QMs) generated by Knoevenagel condensation of 2-hydroxy-1,4-naphthoquinone with formaldehyde and arylaldehydes, undergo facile hetero Diels-Alder reaction with some substituted styrenes (as dienophiles) in aqueous ethanol media providing derivatives of α- and β-lapachone (author)

  11. Biosynthesis of actinorhodin and related antibiotics: discovery of alternative routes for quinone formation encoded in the act gene cluster.

    Science.gov (United States)

    Okamoto, Susumu; Taguchi, Takaaki; Ochi, Kozo; Ichinose, Koji

    2009-02-27

    All known benzoisochromanequinone (BIQ) biosynthetic gene clusters carry a set of genes encoding a two-component monooxygenase homologous to the ActVA-ORF5/ActVB system for actinorhodin biosynthesis in Streptomyces coelicolor A3(2). Here, we conducted molecular genetic and biochemical studies of this enzyme system. Inactivation of actVA-ORF5 yielded a shunt product, actinoperylone (ACPL), apparently derived from 6-deoxy-dihydrokalafungin. Similarly, deletion of actVB resulted in accumulation of ACPL, indicating a critical role for the monooxygenase system in C-6 oxygenation, a biosynthetic step common to all BIQ biosyntheses. Furthermore, in vitro, we showed a quinone-forming activity of the ActVA-ORF5/ActVB system in addition to that of a known C-6 monooxygenase, ActVA-ORF6, by using emodinanthrone as a model substrate. Our results demonstrate that the act gene cluster encodes two alternative routes for quinone formation by C-6 oxygenation in BIQ biosynthesis.

  12. The use of a commercial QA device for daily output check of a helical tomotherapy unit

    International Nuclear Information System (INIS)

    Alaei, Parham; Hui, Susanta K.; Higgins, Patrick D.; Gerbi, Bruce J.

    2006-01-01

    Helical tomotherapy radiation therapy units, due to their particular design and differences from a traditional linear accelerator, require different procedures by which to perform routine quality assurance (QA). One of the principal QA tasks that should be performed daily on any radiation therapy equipment is the output constancy check. The daily output check on a Hi-Art TomoTherapy unit is commonly performed utilizing ionization chambers placed inside a solid water phantom. This provides a good check of output at one point, but does not give any information on either energy or symmetry of the beam, unless more than one point is measured. This also has the added disadvantage that it has to be done by the physics staff. To address these issues, and to simplify the process, such that it can be performed by radiation therapists, we investigated the use of a commercially available daily QA device to perform this task. The use of this device simplifies the task of daily output constancy checks and eliminates the need for continued physics involvement. This device can also be used to monitor the constancy of beam energy and cone profile and can potentially be used to detect gross errors in the couch movement or laser alignment

  13. Experience Using DosimetryCheck software for IMRT and RapidArc Patient Pre-treatment QA and a New Feature for QA during Treatment

    International Nuclear Information System (INIS)

    Pinkerton, Arthur; Hannon, Michael; Kwag, Jae; Renner, Wendel Dean

    2010-01-01

    We have used the DosimetryCheck program with the EPID's on our Varian 2100EX's to perform pre-treatment QA on more than 350 patients, between the last quarter of 2006 and the present. The software uses the EPID measured fluences of the treatment fields to reconstruct the dose distribution in the CT planning model of the patient. Since the dose calculation algorithm, is different from that used by our Eclipse planning system, this provides an independent check of planning accuracy as well as treatment delivery. 2D and 3D dose distributions, point doses, Gamma distributions, DVH statistics and MU calculations can be compared. Absolute differences of Reference Point doses between Dosimetry Check and Eclipse average 1.20%, which is similar to the ionization chamber dose differences of 1.29% for the same patient verification plans. Examples of cases for various treatment sites and delivery modes will be presented. A Special Report in Medical Physics Vol. 37 Number 6 Pg. 2638-2644 from Mans et al at The Netherlands Cancer Institute demonstrated the ability of in vivo EPID dosimetry to detect treatment errors, that escaped other QA checks. A new version of DosimetryCheck awaiting FDA approval, is capable of successfully reconstructing the dose distribution in the patient from the EPID measured exit fluences. This can also be applied to CBCT images providing actual patient dose verification for a treatment session. This should be particularly useful for monitoring hypo-fractionated treatment regimens. Examples of this method will also be presented.

  14. Menaquinone-7 in the reaction center complex of the green sulfur bacterium Chlorobium vibrioforme functions as the electron acceptor A1

    DEFF Research Database (Denmark)

    Kjaer, B; Frigaard, N-U; Yang, F

    1998-01-01

    Photosynthetically active reaction center complexes were prepared from the green sulfur bacterium Chlorobium vibrioforme NCIMB 8327, and the content of quinones was determined by extraction and high-performance liquid chromatography. The analysis showed a stoichiometry of 1.7 molecules of menaqui......Photosynthetically active reaction center complexes were prepared from the green sulfur bacterium Chlorobium vibrioforme NCIMB 8327, and the content of quinones was determined by extraction and high-performance liquid chromatography. The analysis showed a stoichiometry of 1.7 molecules...

  15. Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun Suk [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Arias, Dylan H [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Blackburn, Jeffrey L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sisto, Thomas J. [Columbia University; Peurifoy, Samuel [Columbia University; Zhang, Boyuan [Columbia University; Nuckolls, Colin [Columbia University

    2018-04-13

    Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstrate that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. Detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.

  16. Comparative kinetic and energetic modelling of phyllosemiquinone oxidation in Photosystem I.

    Science.gov (United States)

    Santabarbara, Stefano; Zucchelli, Giuseppe

    2016-04-14

    The oxidation kinetics of phyllo(semi)quinone (PhQ), which acts as an electron transfer (ET) intermediate in the Photosystem I reaction centre, are described by a minimum of two exponential phases, characterised by lifetimes in the 10-30 ns and 150-300 ns ranges. The fastest phase is considered to be dominated by the oxidation of the PhQ molecule coordinated by the PsaB reaction centre subunit (PhQB), and the slowest phase is dominated by the oxidation of the PsaA coordinated PhQ (PhQA). Testing different energetic schemes within a unified theory-based kinetic modelling approach provides reliable limit-values for some of the physical-chemical parameters controlling these ET reactions: (i) the value of ΔG(0) associated with PhQA oxidation is smaller than ∼+30 meV; (ii) the value of the total reorganisation energy (λt) likely exceeds 0.7 eV; (iii) different mean nuclear modes are coupled to PhQB and PhQA oxidation, the former being larger, and both being ≥100 cm(-1).

  17. Non-Fullerene Electron Acceptors for Use in Organic Solar Cells

    KAUST Repository

    Nielsen, Christian B.; Holliday, Sarah; Chen, Hung-Yang; Cryer, Samuel J.; McCulloch, Iain

    2015-01-01

    The active layer in a solution processed organic photovoltaic device comprises a light absorbing electron donor semiconductor, typically a polymer, and an electron accepting fullerene acceptor. Although there has been huge effort targeted

  18. Kinetic, thermodynamic and X-ray structural insights into the interaction of melatonin and analogues with quinone reductase 2

    Energy Technology Data Exchange (ETDEWEB)

    Calamini, Barbara; Santarsiero, Bernard D.; Boutin, Jean A.; Mesecar, Andrew D. (IdRS); (UIC)

    2008-09-12

    Melatonin exerts its biological effects through at least two transmembrane G-protein-coupled receptors, MT1 and MT2, and a lower-affinity cytosolic binding site, designated MT3. MT3 has recently been identified as QR2 (quinone reductase 2) (EC 1.10.99.2) which is of significance since it links the antioxidant effects of melatonin to a mechanism of action. Initially, QR2 was believed to function analogously to QR1 in protecting cells from highly reactive quinones. However, recent studies indicate that QR2 may actually transform certain quinone substrates into more highly reactive compounds capable of causing cellular damage. Therefore it is hypothesized that inhibition of QR2 in certain cases may lead to protection of cells against these highly reactive species. Since melatonin is known to inhibit QR2 activity, but its binding site and mode of inhibition are not known, we determined the mechanism of inhibition of QR2 by melatonin and a series of melatonin and 5-hydroxytryptamine (serotonin) analogues, and we determined the X-ray structures of melatonin and 2-iodomelatonin in complex with QR2 to between 1.5 and 1.8 {angstrom} (1 {angstrom} = 0.1 nm) resolution. Finally, the thermodynamic binding constants for melatonin and 2-iodomelatonin were determined by ITC (isothermal titration calorimetry). The kinetic results indicate that melatonin is a competitive inhibitor against N-methyldihydronicotinamide (K{sub i} = 7.2 {mu}M) and uncompetitive against menadione (K{sub i} = 92 {mu}M), and the X-ray structures shows that melatonin binds in multiple orientations within the active sites of the QR2 dimer as opposed to an allosteric site. These results provide new insights into the binding mechanisms of melatonin and analogues to QR2.

  19. Modulation of Donor-Acceptor Distance in a Series of Carbazole Push-Pull Dyes; A Spectroscopic and Computational Study

    Directory of Open Access Journals (Sweden)

    Joshua J. Sutton

    2018-02-01

    Full Text Available A series of eight carbazole-cyanoacrylate based donor-acceptor dyes were studied. Within the series the influence of modifying the thiophene bridge, linking donor and acceptor and a change in the nature of the acceptor, from acid to ester, was explored. In this joint experimental and computational study we have used electronic absorbance and emission spectroscopies, Raman spectroscopy and computational modeling (density functional theory. From these studies it was found that extending the bridge length allowed the lowest energy transition to be systematically red shifted by 0.12 eV, allowing for limited tuning of the absorption of dyes using this structural motif. Using the aforementioned techniques we demonstrate that this transition is charge transfer in nature. Furthermore, the extent of charge transfer between donor and acceptor decreases with increasing bridge length and the bridge plays a smaller role in electronically mixing with the acceptor as it is extended.

  20. The Physics of Small Molecule Acceptors for Efficient and Stable Bulk Heterojunction Solar Cells

    KAUST Repository

    Gasparini, Nicola

    2018-01-29

    Organic bulk heterojunction solar cells based on small molecule acceptors have recently seen a rapid rise in the power conversion efficiency with values exceeding 13%. This impressive achievement has been obtained by simultaneous reduction of voltage and charge recombination losses within this class of materials as compared to fullerene-based solar cells. In this contribution, the authors review the current understanding of the relevant photophysical processes in highly efficient nonfullerene acceptor (NFA) small molecules. Charge generation, recombination, and charge transport is discussed in comparison to fullerene-based composites. Finally, the authors review the superior light and thermal stability of nonfullerene small molecule acceptor based solar cells, and highlight the importance of NFA-based composites that enable devices without early performance loss, thus resembling so-called burn-in free devices.

  1. The Physics of Small Molecule Acceptors for Efficient and Stable Bulk Heterojunction Solar Cells

    KAUST Repository

    Gasparini, Nicola; Wadsworth, Andrew; Moser, Maximilian; Baran, Derya; McCulloch, Iain; Brabec, Christoph J.

    2018-01-01

    Organic bulk heterojunction solar cells based on small molecule acceptors have recently seen a rapid rise in the power conversion efficiency with values exceeding 13%. This impressive achievement has been obtained by simultaneous reduction of voltage and charge recombination losses within this class of materials as compared to fullerene-based solar cells. In this contribution, the authors review the current understanding of the relevant photophysical processes in highly efficient nonfullerene acceptor (NFA) small molecules. Charge generation, recombination, and charge transport is discussed in comparison to fullerene-based composites. Finally, the authors review the superior light and thermal stability of nonfullerene small molecule acceptor based solar cells, and highlight the importance of NFA-based composites that enable devices without early performance loss, thus resembling so-called burn-in free devices.

  2. Photocleavage of DNA: irradiation of quinone-containing reagents converts supercoiled to linear DNA

    International Nuclear Information System (INIS)

    Kock, T.; Schuster, G.B.; Ropp, J.D.; Sligar, S.G.

    1993-01-01

    Irradiation (350 nm) of air-saturated solutions of reagents containing an anthraquinone group linked to quaternary alkyl ammonium groups converts supercoiled DNA to circular and to linear DNA. Generation of linear DNA does not occur by accumulation of numerous single-strand cuts but by coincident-site double-strand cleavage of DNA. Irradiation forms the triplet state of the anthraquinone, which reacts either by hydrogen atom abstraction from a sugar of DNA or by electron transfer from a base of the DNA. Subsequent reactions result in chain scission. The quinone is apparently reformed after this sequence and reirradiation leads to double-strand cleavage. (Author)

  3. Optimum energy levels and offsets for organic donor/acceptor binary photovoltaic materials and solar cells

    International Nuclear Information System (INIS)

    Sun, S.-S.

    2005-01-01

    Optimum frontier orbital energy levels and offsets of an organic donor/acceptor binary type photovoltaic material have been analyzed using classic Marcus electron transfer theory in order to achieve the most efficient photo induced charge separation. This study reveals that, an exciton quenching parameter (EQP) yields one optimum donor/acceptor frontier orbital energy offset that equals the sum of the exciton binding energy and the charge separation reorganization energy, where the photo generated excitons are converted into charges most efficiently. A recombination quenching parameter (RQP) yields a second optimum donor/acceptor energy offset where the ratio of charge separation rate constant over charge recombination rate constant becomes largest. It is desirable that the maximum RQP is coincidence or close to the maximum EQP. A third energy offset is also identified where charge recombination becomes most severe. It is desirable that the most severe charge recombination offset is far away from maximum EQP offset. These findings are very critical for evaluating and fine tuning frontier orbital energy levels of a donor/acceptor pair in order to realize high efficiency organic photovoltaic materials

  4. Constituents of Musa x paradisiaca cultivar with the potential to induce the phase II enzyme, quinone reductase.

    Science.gov (United States)

    Jang, Dae Sik; Park, Eun Jung; Hawthorne, Michael E; Vigo, Jose Schunke; Graham, James G; Cabieses, Fernando; Santarsiero, Bernard D; Mesecar, Andrew D; Fong, Harry H S; Mehta, Rajendra G; Pezzuto, John M; Kinghorn, A Douglas

    2002-10-23

    A new bicyclic diarylheptanoid, rel-(3S,4aR,10bR)-8-hydroxy-3-(4-hydroxyphenyl)-9-methoxy-4a,5,6,10b-tetrahydro-3H-naphtho[2,1-b]pyran (1), as well as four known compounds, 1,2-dihydro-1,2,3-trihydroxy-9-(4-methoxyphenyl)phenalene (2), hydroxyanigorufone (3), 2-(4-hydroxyphenyl)naphthalic anhydride (4), and 1,7-bis(4-hydroxyphenyl)hepta-4(E),6(E)-dien-3-one (5), were isolated from an ethyl acetate-soluble fraction of the methanol extract of the fruits of Musa x paradisiaca cultivar, using a bioassay based on the induction of quinone reductase (QR) in cultured Hepa1c1c7 mouse hepatoma cells to monitor chromatographic fractionation. The structure and relative stereochemistry of compound 1 were elucidated unambiguously by one- and two-dimensional NMR experiments ((1)H NMR, (13)C NMR, DEPT, COSY, HMQC, HMBC, and NOESY) and single-crystal X-ray diffraction analysis. Isolates 1-5 were evaluated for their potential cancer chemopreventive properties utilizing an in vitro assay to determine quinone reductase induction and a mouse mammary organ culture assay.

  5. FRET two-hybrid assay by linearly fitting FRET efficiency to concentration ratio between acceptor and donor

    Science.gov (United States)

    Du, Mengyan; Yang, Fangfang; Mai, Zihao; Qu, Wenfeng; Lin, Fangrui; Wei, Lichun; Chen, Tongsheng

    2018-04-01

    We here introduce a fluorescence resonance energy transfer (FRET) two-hybrid assay method to measure the maximal donor(D)- and acceptor(A)-centric FRET efficiency (ED,max and EA,max) of the D-A complex and its stoichiometry by linearly fitting the donor-centric FRET efficiency (ED) to the acceptor-to-donor concentration ratio (RC) and acceptor-centric FRET efficiency (EA) to 1/RC, respectively. We performed this method on a wide-field fluorescence microscope for living HepG2 cells co-expressing FRET tandem constructs and free donor/acceptor and obtained correct ED, EA, and stoichiometry values of those tandem constructs. Evaluation on the binding of Bad with Bcl-XL in Hela cells showed that Bad interacted strongly with Bcl-XL to form a Bad-Bcl-XL complex on mitochondria, and one Bad interacted mainly with one Bcl-XL molecule in healthy cells, while with multiple (maybe 2) Bcl-XL molecules in apoptotic cells.

  6. Electron Acceptors Based on α-Substituted Perylene Diimide (PDI) for Organic Solar Cells

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Donglin [Department; Wu, Qinghe [Department; Cai, Zhengxu [Department; Zheng, Tianyue [Department; Chen, Wei [Materials; Institute; Lu, Jessica [Department; Yu, Luping [Department

    2016-02-02

    Perylene diimide (PDI) derivatives functionalized at the ortho-position (αPPID, αPBDT) were synthesized and used as electron acceptors in non-fullerene organic photovoltaic cells. Because of the good planarity and strong π-stacking of ortho-functionalized PDI, the αPPID and αPBDT exhibit a strong tendency to form aggregates, which endow the materials with high electron mobility. The inverted OPVs employing αPDI-based compounds as the acceptors and PBT7-Th as the donor give the highest power conversion efficiency (PCE) values: 4.92% for αPBDT-based devices and 3.61% for αPPID-based devices, which are, respectively, 39% and 4% higher than that of their β-substituted counterparts βPBDT and βPPID. Charge separation studies show more efficient exciton dissociation at interfaces between αPDI-based compounds and PTB7-Th. The results suggest that α-substituted PDI derivatives are more promising electron acceptors for organic photovoltaic (OPV) components than β-isomers.

  7. Acceptor Type Vacancy Complexes In As-Grown ZnO

    International Nuclear Information System (INIS)

    Zubiaga, A.; Tuomisto, F.; Zuniga-Perez, J.

    2010-01-01

    One of the many technological areas that ZnO is interesting for is the construction of opto-electronic devices working in the blue-UV range as its large band gap (∼3.4 eV at 10 K) makes them suitable for that purpose. As-grown ZnO shows generally n-type conductivity partially due to the large concentration of unintentional shallow donors, like H, but impurities can also form complexes with acceptor type defects (Zn vacancy) leading to the creation of compensating defects. Recently, Li Zn and Na Zn acceptors have been measured and H could form similar type of defects. Doppler Broadening Positron Annihilation spectroscopy experimental results on the observation of Zn related vacancy complexes in ZnO thin films, as-grown, O implanted and Al doped will be presented. Results show that as-grown ZnO film show small Zn vacancy related complexed that could be related to presence of H as a unintentional doping element.

  8. Acceptor Type Vacancy Complexes In As-Grown ZnO

    Science.gov (United States)

    Zubiaga, A.; Tuomisto, F.; Zuñiga-Pérez, J.

    2010-11-01

    One of the many technological areas that ZnO is interesting for is the construction of opto-electronic devices working in the blue-UV range as its large band gap (˜3.4 eV at 10 K) makes them suitable for that purpose. As-grown ZnO shows generally n-type conductivity partially due to the large concentration of unintentional shallow donors, like H, but impurities can also form complexes with acceptor type defects (Zn vacancy) leading to the creation of compensating defects. Recently, LiZn and NaZn acceptors have been measured and H could form similar type of defects. Doppler Broadening Positron Annihilation spectroscopy experimental results on the observation of Zn related vacancy complexes in ZnO thin films, as-grown, O implanted and Al doped will be presented. Results show that as-grown ZnO film show small Zn vacancy related complexed that could be related to presence of H as a unintentional doping element.

  9. How social Q&A sites are changing knowledge sharing in open source software communities

    NARCIS (Netherlands)

    Vasilescu, B.N.; Serebrenik, A.; Devanbu, P.; Filkov, V.

    2014-01-01

    Historically, mailing lists have been the preferred means for coordinating development and user support activities. With the emergence and popularity growth of social Q&A sites such as the StackExchange network (e.g., StackOverflow), this is beginning to change. Such sites offer different

  10. Monte Carlo generated spectra for QA/QC of automated NAA routine

    International Nuclear Information System (INIS)

    Jackman, K.R.; Biegalski, S.R.

    2007-01-01

    A quality check for an automated system of analyzing large sets of neutron activated samples has been developed. Activated samples are counted with an HPGe detector, in conjunction with an automated sample changer and spectral analysis tools, controlled by the Canberra GENIE 2K and REXX software. After each sample is acquired and analyzed, a Microsoft Visual Basic program imports the results into a template Microsoft Excel file where the final concentrations, uncertainties, and detection limits are determined. Standard reference materials are included in each set of 40 samples as a standard quality assurance/quality control (QA/QC) test. A select group of sample spectra are also visually reviewed to check the peak fitting routines. A reference spectrum was generated in MCNP 4c2 using an F8, pulse-height, tally with a detector model of the actual detector used in counting. The detector model matches the detector resolution, energy calibration, and counting geometry. The generated spectrum also contained a radioisotope matrix that was similar to what was expected in the samples. This spectrum can then be put through the automated system and analyzed along with the other samples. The automated results are then compared to expected results for QA/QC assurance. (author)

  11. Poster - 10: QA of Ultrasound Images for Prostate Brachytherapy

    Energy Technology Data Exchange (ETDEWEB)

    Szpala, Stanislaw; Kohli, Kirpal S. [BCCA-Fraser Valley Centre (Canada)

    2016-08-15

    Purpose: The current QA protocol of ultrasound systems used in prostate brachytherapy (TG128) addresses geometrical verifications, but the scope of evaluation of image quality is limited. We recognized importance of the latter in routine practice, and designed a protocol for QA of the images. Methods: Images of an ultrasound prostate phantom (CIRS053) were collected with BK Flex Focus 400. The images were saved as bmp after adjusting the gain to 50% for consistent results. Mean pixel values and signal to noise ratio were inspected in the representative sections of the phantom, including the mock prostate and the unechoic medium. Constancy of these numbers over a one year period was looked at. Results: The typical intensity in the mock prostate region in the transverse images ranged between 95 and 118 (out of 256), and the signal to noise was about 10. The intensity in the urethra region was about 170±40, and the unechoic medium was 2±2. The mean and the signal to noise ratio remained almost unchanged after a year, while the signal in the unechoic medium increased to about 7±4. Similar values were obtained in the sagittal images. Conclusions: The image analysis discussed above allows quick evaluation of constancy of the image quality. This may be also useful in troubleshooting image-quality problems during routine exams, which might not be due to deterioration of the US system, but other reasons, e.g. variations in tissue properties or air being trapped between the probe and the anatomy.

  12. Efficiency-limiting processes in OPV bulk heterojunctions of GeNIDTBT and IDT-based acceptors

    KAUST Repository

    Al-Saggaf, Sarah M.

    2018-05-16

    The successful realization of highly efficient bulk heterojunction OPV devices requires the development of organic donor and acceptor materials with tailored properties. Recently, non-fullerene acceptors (NFAs) have emerged as an alternative to the ubiquitously used fullerene derivatives. NFAs showed a rapid increase in efficiencies, now exceeding a PCE of 13%. In my thesis research, I used two small molecule IDT-based acceptors, namely O-IDTBR and O-IDTBCN, in combination with a wide bandgap donor polymer, GeNIDT-BT, as active material in BHJ solar cells and investigated their photophysical characteristics. The polymer combined with O-IDTBR as acceptor achieved a power conversion efficiency of only 2%, which is significantly lower than that obtained for the system of GeNIDT-BT: O-IDTBCN (5.3%). Using nano- to microsecond transient absorption spectroscopy, I investigated both systems and demonstrated that GeNIDT-BT:O-IDTBR exhibits more geminate recombination of interfacial charge-transfer states, leading to lower short circuit currents. Using time-delayed collection field experiments, I studied the field dependence of charge generation and its impact on the device fill factor. Overall, my results provide a qualitative understanding of the efficiency-limiting processes in both systems and their impact on device performance.

  13. Comparing the Device Physics and Morphology of Polymer Solar Cells Employing Fullerenes and Non-Fullerene Acceptors

    KAUST Repository

    Bloking, Jason T.

    2014-04-23

    There is a need to find electron acceptors for organic photovoltaics that are not based on fullerene derivatives since fullerenes have a small band gap that limits the open-circuit voltage (VOC), do not absorb strongly and are expensive. Here, a phenylimide-based acceptor molecule, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), that can be used to make solar cells with VOC values up to 1.11 V and power conversion efficiencies up to 3.7% with two thiophene polymers is demonstrated. An internal quantum efficiency of 56%, compared to 75-90% for polymer-fullerene devices, results from less efficient separation of geminate charge pairs. While favorable energetic offsets in the polymer-fullerene devices due to the formation of a disordered mixed phase are thought to improve charge separation, the low miscibility (<5 wt%) of HPI-BT in polymers is hypothesized to prevent the mixed phase and energetic offsets from forming, thus reducing the driving force for charges to separate into the pure donor and acceptor phases where they can be collected. A small molecule electron acceptor, 4,7-bis(4-(N-hexyl-phthalimide)vinyl)benzo[c]1,2,5-thiadiazole (HPI-BT), achieves efficiencies of 3.7% and open-circuit voltage values of 1.11 V in bulk heterojunction (BHJ) devices with polythiophene donor materials. The lower internal quantum efficiency (56%) in these non-fullerene acceptor devices is attributed to an absence of the favorable energetic offsets resulting from nanoscale mixing of donor and acceptor found in comparable fullerene-based devices. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Interplay of alternative conjugated pathways and steric interactions on the electronic and optical properties of donor-acceptor conjugated polymers

    KAUST Repository

    Lima, Igo T.; Risko, Chad; Aziz, Saadullah Gary; Da Silva Filho, Demé trio A Da Silva; Bredas, Jean-Luc

    2014-01-01

    Donor-acceptor π-conjugated copolymers are of interest for a wide range of electronic applications, including field-effect transistors and solar cells. Here, we present a density functional theory (DFT) study of the impact of varying the conjugation pathway on the geometric, electronic, and optical properties of donor-acceptor systems. We consider both linear ("in series"), traditional conjugation among the donor-acceptor moieties versus structures where the acceptor units are appended orthogonally to the linear, donor-only conjugated backbone. Long-range-corrected hybrid functionals are used in the investigation with the values of the tuned long-range separation parameters providing an estimate of the extent of conjugation as a function of the oligomer architecture. Considerable differences in the electronic and optical properties are determined as a function of the nature of the conjugation pathway, features that should be taken into account in the design of donor-acceptor copolymers.

  15. Study of the Contributions of Donor and Acceptor Photoexcitations to Open Circuit Voltage in Bulk Heterojunction Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Douglas Yeboah

    2017-10-01

    Full Text Available One of the key parameters in determining the power conversion efficiency (PCE of bulk heterojunction (BHJ organic solar cells (OSCs is the open circuit voltage . The processes of exciting the donor and acceptor materials individually in a BHJ OSC are investigated and are found to produce two different expressions for . Using the contributions of electron and hole quasi-Fermi levels and charge carrier concentrations, the two different expressions are derived as functions of the energetics of the donor and acceptor materials and the photo-generated charge carrier concentrations, and calculated for a set of donor-acceptor blends. The simultaneous excitation of both the donor and acceptor materials is also considered and the corresponding , which is different from the above two, is derived. The calculated from the photoexcitation of the donor is found to be somewhat comparable with that obtained from the photoexcitation of the acceptor in most combinations of the donor and acceptor materials considered here. It is also found that the calculated from the simultaneous excitations of donor and acceptor in BHJ OSCs is also comparable with the other two . All three thus derived produce similar results and agree reasonably well with the measured values. All three depend linearly on the concentration of the photoexcited charge carriers and hence incident light intensity, which agrees with experimental results. The outcomes of this study are expected to help in finding materials that may produce higher and hence enhanced PCE in BHJ OSCs.

  16. Land ECVs from QA4ECV using an optimal estimation framework

    Science.gov (United States)

    Muller, Jan-Peter; Kharbouche, Said; Lewis, Philip; Danne, Olaf; Blessing, Simon; Giering, Ralf; Gobron, Nadine; Lanconelli, Christian; Govaerts, Yves; Schulz, Joerg; Doutriaux-Boucher, Marie; Lattanzio, Alessio; Aoun, Youva

    2017-04-01

    In the ESA-DUE GlobAlbedo project (http://www.GlobAlbedo.org), a 15 year record of land surface albedo was generated from the European VEGETATION & MERIS sensors using optimal estimation. This was based on 3 broadbands (0.4-0.7, 0.7-3, 0.4-3µm) and fused data at level-2 after converting from spectral narrowband to these 3 broadbands with surface BRFs. A 10 year long record of land surface albedo climatology was generated from Collection 5 of the MODIS BRDF product for these same broadbands. This was employed as an a priori estimate for an optimal estimation based retrieval of land surface albedo when there were insufficient samples from the European sensors. This so-called MODIS prior was derived at 1km from the 500m MOD43A1,2 BRDF inputs every 8 days using the QA bits and the method described in the GlobAlbedo ATBD which is available from the website (http://www.globalbedo.org/docs/GlobAlbedo_Albedo_ATBD_V4.12.pdf). In the ESA-STSE WACMOS-ET project, FastOpt generated fapar & LAI based on this GlobAlbedo BRDF with associated per pixel uncertainty using the TIP framework. In the successor EU-FP7-QA4ECV* project, we have developed a 33 year record (1981-2014) of Earth surface spectral and broadband albedo (i.e. including the ocean and sea-ice) using optimal estimation for the land and where available, relevant sensors for "instantaneous" retrievals over the poles (Kharbouche & Muller, this conference). This requires the longest possible land surface spectral and broadband BRDF record that can only be supplied by a 16 year of MODIS Collection 6 BRDFs at 500m but produced on a daily basis. The CEMS Big Data computer at RAL was used to generate 7 spectral bands and 3 broadband BRDF with and without snow and snow_only. We will discuss the progress made since the start of the QA4ECV project on the production of a new fused land surface BRDF/albedo spectral and broadband CDR product based on four European sensors: MERIS, (A)ATSR(2), VEGETATION, PROBA-V and two US sensors

  17. Bane of Hydrogen-Bond Formation on the Photoinduced Charge-Transfer Process in Donor–Acceptor Systems

    KAUST Repository

    Alsam, Amani Abdu

    2017-03-14

    Controlling the ultrafast dynamical process of photoinduced charge transfer at donor acceptor interfaces remains a major challenge for physical chemistry and solar cell communities. The process is complicated by the involvement of other complex dynamical processes, including hydrogen bond formation, energy transfer, and solvation dynamics occurring on similar time scales. In this study, we explore the remarkable impact of hydrogen-bond formation on the interfacial charge transfer between a negatively charged electron donating anionic porphyrin and a positively charged electron accepting pi-conjugated polymer, as a model system in solvents with different polarities and capabilities for hydiogen bonding using femtosecond transient absorption spectroscopy. Unlike the conventional understanding of the key role of hydrogen bonding in promoting the charge-transfer process, our steadystate and time-resolved results reveal that the intervening hydrogen-bonding environment and, consequently, the probable longer spacing between the donor and acceptor molecules significantly hinders the charge-transfer process between them. These results show that site-specific hydrogen bonding and geometric considerations between donor and acceptor can be exploited to control both the charge-transfer dynamics and its efficiency not only at donor acceptor interfaces but also in complex biological systems.

  18. Identification of Ag-acceptors in $^{111}Ag^{111}Cd$ doped ZnTe and CdTe

    CERN Document Server

    Hamann, J; Deicher, M; Filz, T; Lany, S; Ostheimer, V; Strasser, F; Wolf, H; Wichert, T

    2000-01-01

    Nominally undoped ZnTe and CdTe crystals were implanted with radioactive /sup 111/Ag, which decays to /sup 111/Cd, and investigated by photoluminescence spectroscopy (PL). In ZnTe, the PL lines caused by an acceptor level at 121 meV are observed: the principal bound exciton (PBE) line, the donor-acceptor pair (DAP) band, and the two-hole transition lines. In CdTe, the PBE line and the DAP band that correspond to an acceptor level at 108 meV appear. Since the intensities of all these PL lines decrease in good agreement with the half-life of /sup 111/Ag of 178.8 h, both acceptor levels are concluded to be associated with defects containing a single Ag atom. Therefore, the earlier assignments to substitutional Ag on Zn- and Cd-lattice sites in the respective II-VI semiconductors are confirmed. The assignments in the literature of the S/sub 1/, S /sub 2/, and S/sub 3/ lines in ZnTe and the X/sub 1//sup Ag/, X/sub 2 //sup Ag//C/sub 1//sup Ag/, and C/sub 2//sup Ag/ lines in CdTe to Ag- related defect complexes are ...

  19. Discriminating a deep defect from shallow acceptors in supercell calculations: gallium antisite in GaAs

    Science.gov (United States)

    Schultz, Peter

    To make reliable first principles predictions of defect energies in semiconductors, it is crucial to discriminate between effective-mass-like defects--for which existing supercell methods fail--and deep defects--for which density functional theory calculations can yield reliable predictions of defect energy levels. The gallium antisite GaAs is often associated with the 78/203 meV shallow double acceptor in Ga-rich gallium arsenide. Within a framework of level occupation patterns, analyses of structure and spin stabilization can be used within a supercell approach to distinguish localized deep defect states from shallow acceptors such as BAs. This systematic analysis determines that the gallium antisite is inconsistent with a shallow state, and cannot be the 78/203 shallow double acceptor. The properties of the Ga antisite in GaAs are described, predicting that the Ga antisite is a deep double acceptor and has two donor states, one of which might be accidentally shallow. -- Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  20. SU-F-BRE-08: Feasibility of 3D Printed Patient Specific Phantoms for IMRT/IGRT QA

    International Nuclear Information System (INIS)

    Ehler, E; Higgins, P; Dusenbery, K

    2014-01-01

    Purpose: Test the feasibility of 3D printed, per-patient phantoms for IMRT QA to analyze the treatment delivery quality within the patient geometry. Methods: Using the head and neck region of an anthropomorphic phantom as a substitute for an actual patient, a soft-tissue equivalent model was constructed with the use of a 3D printer. A nine-field IMRT plan was constructed and dose verification measurements were performed for the 3D printed phantom. During the delivery of the IMRT QA on to the 3D printed phantom, the same patient positioning indexing system was used on the phantom and image guidance (cone beam CT) was used to localize the phantom, serving as a test of the IGRT system as well. The 3D printed phantom was designed to accommodate four radiochromic film planes (two axial, one coronal and one sagittal) and an ionization chamber measurement. As a frame of comparison, the IMRT QA was also performed on traditional phantoms. Dosimetric tolerance levels such as 3mm / 3% Gamma Index as well as 3% and 5% dose difference were considered. All detector systems were calibrated against a NIST traceable ionization chamber. Results: Comparison of results 3D printed patient phantom with the standard IMRT QA systems showed similar passing rates for the 3D printed phantom and the standard phantoms. However, the locations of the failing regions did not necessarily correlate. The 3D printed phantom was localized within 1 mm and 1° using on-board cone beam CT. Conclusion: A custom phantom was created using a 3D printer. It was determined that the use of patient specific phantoms to perform dosimetric verification and estimate the dose in the patient is feasible. In addition, end-to-end testing on a per-patient basis was possible with the 3D printed phantom. Further refinement of the phantom construction process is needed for routine clinical use

  1. SU-F-BRE-08: Feasibility of 3D Printed Patient Specific Phantoms for IMRT/IGRT QA

    Energy Technology Data Exchange (ETDEWEB)

    Ehler, E; Higgins, P; Dusenbery, K [University of Minnesota, Minneapolis, MN (United States)

    2014-06-15

    Purpose: Test the feasibility of 3D printed, per-patient phantoms for IMRT QA to analyze the treatment delivery quality within the patient geometry. Methods: Using the head and neck region of an anthropomorphic phantom as a substitute for an actual patient, a soft-tissue equivalent model was constructed with the use of a 3D printer. A nine-field IMRT plan was constructed and dose verification measurements were performed for the 3D printed phantom. During the delivery of the IMRT QA on to the 3D printed phantom, the same patient positioning indexing system was used on the phantom and image guidance (cone beam CT) was used to localize the phantom, serving as a test of the IGRT system as well. The 3D printed phantom was designed to accommodate four radiochromic film planes (two axial, one coronal and one sagittal) and an ionization chamber measurement. As a frame of comparison, the IMRT QA was also performed on traditional phantoms. Dosimetric tolerance levels such as 3mm / 3% Gamma Index as well as 3% and 5% dose difference were considered. All detector systems were calibrated against a NIST traceable ionization chamber. Results: Comparison of results 3D printed patient phantom with the standard IMRT QA systems showed similar passing rates for the 3D printed phantom and the standard phantoms. However, the locations of the failing regions did not necessarily correlate. The 3D printed phantom was localized within 1 mm and 1° using on-board cone beam CT. Conclusion: A custom phantom was created using a 3D printer. It was determined that the use of patient specific phantoms to perform dosimetric verification and estimate the dose in the patient is feasible. In addition, end-to-end testing on a per-patient basis was possible with the 3D printed phantom. Further refinement of the phantom construction process is needed for routine clinical use.

  2. Magnetic field effect on the Coulomb interaction of acceptors in semimagnetic quantum dot

    Energy Technology Data Exchange (ETDEWEB)

    Kalpana, P.; Merwyn, A.; Nithiananthi, P.; Jayakumar, K., E-mail: kjkumar-gri@rediffmail.com [Nanostructure Lab, Department of Physics, Gandhigram Rural University, Gandhigram-624302 (India); Reuben, Jasper D. [Department of Physics, School of Engineering, Saveetha University, Thandalam, Chennai- 600104 (India)

    2015-06-24

    The Coulomb interaction of holes in a Semimagnetic Cd{sub 1-x}Mn{sub x}Te / CdTe Spherical and Cubical Quantum Dot (SMQD) in a magnetic field is studied using variational approach in the effective mass approximation. Since these holes in QD show a pronounced collective behavior, while distinct single particle phenomena is suppressed, their interaction in confined potential becomes very significant. It has been observed that acceptor-acceptor interaction is more in cubical QD than in spherical QD which can be controlled by the magnetic field. The results are presented and discussed.

  3. Magnetic field effect on the Coulomb interaction of acceptors in semimagnetic quantum dot

    Science.gov (United States)

    Kalpana, P.; Merwyn, A.; Reuben, Jasper D.; Nithiananthi, P.; Jayakumar, K.

    2015-06-01

    The Coulomb interaction of holes in a Semimagnetic Cd1-xMnxTe / CdTe Spherical and Cubical Quantum Dot (SMQD) in a magnetic field is studied using variational approach in the effective mass approximation. Since these holes in QD show a pronounced collective behavior, while distinct single particle phenomena is suppressed, their interaction in confined potential becomes very significant. It has been observed that acceptor-acceptor interaction is more in cubical QD than in spherical QD which can be controlled by the magnetic field. The results are presented and discussed.

  4. Interaction of point intrinsic defects in n-type indium phosphide with acceptor clusters

    International Nuclear Information System (INIS)

    Vitovskij, N.A.; Lagunova, T.S.; Rakhimov, O.

    1984-01-01

    The rates of implanting defects of donor- and acceptor type stable at room temperature in n-InP during gamma irradiation are found to vary versus the compensating impurity type. Zinc atoms interact with defects most actively. Irradiation also brings about the growth of acceptor clusters, this growth being most markedly expressed in InP . The presence of an additional mechanism of charge-carriers scattering associated with the existence of clusters of compensating centres is verified, the temperature dependence of the effectiveness of this mechanism μ approximately Tsup(-1.2) is found

  5. A spiro-bifluorene based 3D electron acceptor with dicyanovinylene substitution for solution-processed non-fullerene organic solar cells

    KAUST Repository

    Xia, Debin

    2015-04-20

    A novel electron acceptor, namely 2,2′-(12H,12′H-10,10′-spirobi[indeno[2,1-b]fluorene]-12,12′-diylidene)dimalononitrile (4CN-spiro), exhibiting a three-dimensional molecular structure was synthesized and its thermal, photophysical, electrochemical, crystal, and photovoltaic properties were investigated. The novel acceptor exhibits excellent thermal stability with a decomposition temperature of 460 °C, an absorption extending to 600 nm, and a LUMO level of −3.63 eV. Solution processed bulk-heterojunction (BHJ) organic solar cells were fabricated using 4CN-spiro as an acceptor and polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) as a donor polymer. The effect of the donor-to-acceptor ratio and processing conditions on the device performance was investigated. A device processed from tetrachloroethane with a donor to acceptor weight ratio of 1 : 1 yielded a power conversion efficiency (PCE) of 0.80%.

  6. Medium-Bandgap Small-Molecule Donors Compatible with Both Fullerene and Nonfullerene Acceptors.

    Science.gov (United States)

    Huo, Yong; Yan, Cenqi; Kan, Bin; Liu, Xiao-Fei; Chen, Li-Chuan; Hu, Chen-Xia; Lau, Tsz-Ki; Lu, Xinhui; Sun, Chun-Lin; Shao, Xiangfeng; Chen, Yongsheng; Zhan, Xiaowei; Zhang, Hao-Li

    2018-03-21

    Much effort has been devoted to the development of new donor materials for small-molecule organic solar cells due to their inherent advantages of well-defined molecular weight, easy purification, and good reproducibility in photovoltaic performance. Herein, we report two small-molecule donors that are compatible with both fullerene and nonfullerene acceptors. Both molecules consist of an (E)-1,2-di(thiophen-2-yl)ethane-substituted (TVT-substituted) benzo[1,2-b:4,5-b']dithiophene (BDT) as the central unit, and two rhodanine units as the terminal electron-withdrawing groups. The central units are modified with either alkyl side chains (DRBDT-TVT) or alkylthio side chains (DRBDT-STVT). Both molecules exhibit a medium bandgap with complementary absorption and proper energy level offset with typical acceptors like PC 71 BM and IDIC. The optimized devices show a decent power conversion efficiency (PCE) of 6.87% for small-molecule organic solar cells and 6.63% for nonfullerene all small-molecule organic solar cells. Our results reveal that rationally designed medium-bandgap small-molecule donors can be applied in high-performance small-molecule organic solar cells with different types of acceptors.

  7. Structural, theoretical and experimental models of photosynthetic antennas, donors and acceptors

    International Nuclear Information System (INIS)

    Barkigia, K.M.; Chantranupong, L.; Fajer, J.; Kehres, L.A.; Smith, K.M.

    1989-01-01

    Theoretical calculations, based on recent x-ray studies of bacterial reaction centers, suggest that the light-absorption properties of the special pair phototraps in bacteria are controlled by the interplanar spacing between the bacteriochlorophyll subunits that constitute the special pairs. The calculations offer attractively simple explanations for the range of absorption spectra exhibited by photosynthetic bacteria. The wide range of (bacterio)chlorophyll skeletal conformations revealed by x-ray diffraction studies raise the intriguing possibility that different conformations, imposed by protein constraints, can modulate the light-absorption and redox properties of the chromophores in vivo. Electron-nuclear double resonance data obtained for the primary acceptors in green plants suggest specific substituent orientations and hydrogen bonding that may help optimize the orientations of the acceptors relative to the donors

  8. Mechanism of electron transfer from e-sub(aq) to acceptors in micelles

    International Nuclear Information System (INIS)

    Graetzel, M.; Henglein, A.; Janata, E.

    1975-01-01

    Pulse radiolysis experiments were carried out to investigate reactions A + e - sub(aq) → A - of hydrated electrons with acceptors A incorporated in the lipoidic part of micellar 10 -3 M sodium-lauryl-sulfate (SLS) and cetyl-trimethyl-ammonium-bromide (CTAB). The acceptors were 9-nitro-anthracene and pyrene, the latter in both the singlet and triplet state (the triplet was produced by UV-light irradiation shortly before the high energy electron pulse was applied). The triplet state of pyrene reacts in CTAB-micelles with a rate constant smaller by at least a factor of two than the singlet ground state. (orig./HK) [de

  9. The outer membrane protein Omp35 affects the reduction of Fe(III, nitrate, and fumarate by Shewanella oneidensis MR-1

    Directory of Open Access Journals (Sweden)

    Myers Charles R

    2004-06-01

    Full Text Available Abstract Background Shewanella oneidensis MR-1 uses several electron acceptors to support anaerobic respiration including insoluble species such as iron(III and manganese(IV oxides, and soluble species such as nitrate, fumarate, dimethylsulfoxide and many others. MR-1 has complex branched electron transport chains that include components in the cytoplasmic membrane, periplasm, and outer membrane (OM. Previous studies have implicated a role for anaerobically upregulated OM electron transport components in the use of insoluble electron acceptors, and have suggested that other OM components may also contribute to insoluble electron acceptor use. In this study, the role for an anaerobically upregulated 35-kDa OM protein (Omp35 in the use of anaerobic electron acceptors was explored. Results Omp35 was purified from the OM of anaerobically grown cells, the gene encoding Omp35 was identified, and an omp35 null mutant (OMP35-1 was isolated and characterized. Although OMP35-1 grew on all electron acceptors tested, a significant lag was seen when grown on fumarate, nitrate, and Fe(III. Complementation studies confirmed that the phenotype of OMP35-1 was due to the loss of Omp35. Despite its requirement for wild-type rates of electron acceptor use, analysis of Omp35 protein and predicted sequence did not identify any electron transport moieties or predicted motifs. OMP35-1 had normal levels and distribution of known electron transport components including quinones, cytochromes, and fumarate reductase. Omp35 is related to putative porins from MR-1 and S. frigidimarina as well as to the PorA porin from Neisseria meningitidis. Subcellular fraction analysis confirmed that Omp35 is an OM protein. The seven-fold anaerobic upregulation of Omp35 is mediated post-transcriptionally. Conclusion Omp35 is a putative porin in the OM of MR-1 that is markedly upregulated anaerobically by a post-transcriptional mechanism. Omp35 is required for normal rates of growth on Fe

  10. Crystallization and preliminary X-ray diffraction analysis of a tRNASer acceptor-stem microhelix

    International Nuclear Information System (INIS)

    Förster, Charlotte; Krauss, Norbert; Brauer, Arnd B. E.; Szkaradkiewicz, Karol; Brode, Svenja; Hennig, Klaus; Fürste, Jens P.; Perbandt, Markus; Betzel, Christian; Erdmann, Volker A.

    2006-01-01

    In order to investigate tRNA identity elements, an elongator tRNA Ser acceptor-stem helix was crystallized and a data set was collected to 1.8 Å resolution aiming at a comparison with the corresponding region in suppressor tRNA Sec . In order to understand elongator tRNA Ser and suppressor tRNA Sec identity elements, the respective acceptor-stem helices have been synthesized and crystallized in order to analyse and compare their structures in detail at high resolution. The synthesis, crystallization and preliminary X-ray diffraction results for a seven-base-pair tRNA Ser acceptor-stem helix are presented here. Diffraction data were collected to 1.8 Å, applying synchrotron radiation and cryogenic cooling. The crystals belong to the monoclinic space group C2, with unit-cell parameters a = 36.14, b = 38.96, c = 30.81 Å, β = 110.69°

  11. Accelerator based-boron neutron capture therapy (BNCT)-clinical QA and QC

    International Nuclear Information System (INIS)

    Suzuki, Minoru; Tanaka, Hiroki; Sakurai, Yoshinori; Yong, Liu; Kashino, Genro; Kinashi, Yuko; Masunaga, Shinichiro; Ono, Koji; Maruhashi, Akira

    2009-01-01

    Alpha-particle and recoil Li atom yielded by the reaction ( 10 B, n), due to their high LET properties, efficiently and specifically kill the cancer cell that has incorporated the boron. Efficacy of this boron neutron capture therapy (BNCT) has been demonstrated mainly in the treatment of recurrent head/neck and malignant brain cancers in Kyoto University Research Reactor Institute (KUR). As the clinical trial of BNCT is to start from 2009 based on an accelerator (not on the Reactor), this paper describes the tentative outline of the standard operation procedure of BNCT for its quality assurance (QA) and quality control (QC) along the flow of its clinical practice. Personnel concerned in the practice involve the attending physician, multiple physicians in charge of BNCT, medical physicists, nurses and reactor stuff. The flow order of the actual BNCT is as follows: Pre-therapeutic evaluation mainly including informed consent and confirmation of the prescription; Therapeutic planning including setting of therapy volume, and of irradiation axes followed by meeting for stuffs' agreement, decision of irradiating field in the irradiation room leading to final decision of the axis, CT for the planning, decision of the final therapeutic plan according to Japan Atomic Energy Agency-Computational Dosimetry System (JCDS) and meeting of all related personnel for the final confirmation of therapeutic plan; and BNCT including the transport of patient to KUR, dripping of boronophenylalanine, setting up of the patient on the machine, blood sampling for pharmacokinetics, boron level measurement for decision of irradiating time, switch on/off of the accelerator, confirmation of patient's movement in the irradiated field after the neutron irradiation, blood sampling for confirmation of the boron level, and patient's leave from the room. The QA/QC check is principally to be conducted with the two-person rule. The purpose of the clinical trial is to establish the usefulness of BNCT

  12. Investigating ion recombination effects in a liquid-filled ionization chamber array used for IMRT QA measurements

    Energy Technology Data Exchange (ETDEWEB)

    Knill, Cory, E-mail: knillcor@gmail.com; Snyder, Michael; Rakowski, Joseph T.; Burmeister, Jay [Department of Radiation Oncology, Karmanos Cancer Institute, Detroit, Michigan 48201 and Department of Radiation Oncology, Wayne State University School of Medicine, Detroit, Michigan 48201 (United States); Zhuang, Ling [Department of Radiation Oncology, Wayne State University School of Medicine, Detroit, Michigan 48201 (United States); Matuszak, Martha [Department of Radiation Oncology, University of Michigan Health System, Ann Arbor, Michigan 48109 (United States)

    2016-05-15

    Purpose: PTW’s Octavius 1000 SRS array performs IMRT quality assurance (QA) measurements with liquid-filled ionization chambers (LICs) to allow closer detector spacing and higher resolution, compared to air-filled QA devices. However, reduced ion mobility in LICs relative to air leads to increased ion recombination effects and reduced collection efficiencies that are dependent on Linac pulse frequency and pulse dose. These pulse parameters are variable during an IMRT delivery, which affects QA results. In this study, (1) 1000 SRS collection efficiencies were measured as a function of pulse frequency and pulse dose, (2) two methods were developed to correct changes in collection efficiencies during IMRT QA measurements, and the effects of these corrections on QA pass rates were compared. Methods: To obtain collection efficiencies, the OCTAVIUS 1000 SRS was used to measure open fields of varying pulse frequency, pulse dose, and beam energy with results normalized to air-filled chamber measurements. Changes in ratios of 1000 SRS to chamber measured dose were attributed to changing collection efficiencies, which were then correlated to pulse parameters using regression analysis. The usefulness of the derived corrections was then evaluated using 6 MV and 10FFF SBRT RapidArc plans delivered to the OCTAVIUS 4D system using a TrueBeam (Varian Medical Systems) linear accelerator equipped with a high definition multileaf collimator. For the first correction, MATLAB software was developed that calculates pulse frequency and pulse dose for each detector, using measurement and DICOM RT Plan files. Pulse information is converted to collection efficiency, and measurements are corrected by multiplying detector dose by ratios of calibration to measured collection efficiencies. For the second correction the MU/min in the daily 1000 SRS calibration was chosen to match the average MU/min of the volumetric modulated arc therapy plan. Effects of the two corrections on QA results were

  13. Developing a mailed phantom to implement a local QA program in Egypt radiotherapy centers

    Science.gov (United States)

    Soliman, H. A.; Aletreby, M.

    2016-07-01

    In this work, a simple method that differs from the IAEA/WHO Thermoluminescent dosimeters (TLD) postal quality assurance (QA) program is developed. A small perspex; polymethyl methacrylate (PMMA), phantom measured 50 mm × 50 mm × 50 mm is constructed to be used for absorbed dose verification of high-energy photon beams in some major radiotherapy centers in Egypt. The phantom weighted only 140.7 g with two buildup covers weighted 14.8 and 43.19 g for the Cobalt-60 and the 6-MV X-ray beams, respectively. This phantom is aimed for use in the future's external audit/QA services in Egypt for the first time. TLD-700 chips are used for testing and investigating a convenient and national dosimetry QA program. Although the used methodology is comparable to previously introduced but new system; it has smaller size, less weight, and different more available material. Comparison with the previous similar designs is introduced. Theoretical calculations were done by the commercial Eclipse treatment planning system, implementing the pencil beam convolution algorithm to verify the accuracy of the experimental calculation of the dose conversion factor of water to the perspex phantom. The new constructed small phantom and methodology was applied in 10 participating radiotherapy centers. The absorbed dose was verified under the reference conditions for both 60Co and 6-MV high-energy photon beams. The checked beams were within the 5% limit except for four photon beams. There was an agreement of 0.2% between our experimental data and those previously published confirming the validity of the applied method in verifying radiotherapy absorbed dose.

  14. SU-F-T-227: A Comprehensive Patient Specific, Structure Specific, Pre-Treatment 3D QA Protocol for IMRT, SBRT and VMAT - Clinical Experience

    Energy Technology Data Exchange (ETDEWEB)

    Gueorguiev, G; Cotter, C; Young, M; Toomeh, D [Massachusetts General Hospital Boston MA (United States); University of Massachusetts Lowell Lowell, MA (United States); Khan, F; Crawford, B; Turcotte, J; Sharp, G [Massachusetts General Hospital Boston MA (United States); Mah’D, M [University of Massachusetts Lowell Lowell, MA (United States)

    2016-06-15

    Purpose: To present a 3D QA method and clinical results for 550 patients. Methods: Five hundred and fifty patient treatment deliveries (400 IMRT, 75 SBRT and 75 VMAT) from various treatment sites, planned on Raystation treatment planning system (TPS), were measured on three beam-matched Elekta linear accelerators using IBA’s COMPASS system. The difference between TPS computed and delivered dose was evaluated in 3D by applying three statistical parameters to each structure of interest: absolute average dose difference (AADD, 6% allowed difference), absolute dose difference greater than 6% (ADD6, 4% structure volume allowed to fail) and 3D gamma test (3%/3mm DTA, 4% structure volume allowed to fail). If the allowed value was not met for a given structure, manual review was performed. The review consisted of overlaying dose difference or gamma results with the patient CT, scrolling through the slices. For QA to pass, areas of high dose difference or gamma must be small and not on consecutive slices. For AADD to manually pass QA, the average dose difference in cGy must be less than 50cGy. The QA protocol also includes DVH analysis based on QUANTEC and TG-101 recommended dose constraints. Results: Figures 1–3 show the results for the three parameters per treatment modality. Manual review was performed on 67 deliveries (27 IMRT, 22 SBRT and 18 VMAT), for which all passed QA. Results show that statistical parameter AADD may be overly sensitive for structures receiving low dose, especially for the SBRT deliveries (Fig.1). The TPS computed and measured DVH values were in excellent agreement and with minimum difference. Conclusion: Applying DVH analysis and different statistical parameters to any structure of interest, as part of the 3D QA protocol, provides a comprehensive treatment plan evaluation. Author G. Gueorguiev discloses receiving travel and research funding from IBA for unrelated to this project work. Author B. Crawford discloses receiving travel funding from

  15. An overview of electron acceptors in microbial fuel cells

    DEFF Research Database (Denmark)

    Ucar, Deniz; Zhang, Yifeng; Angelidaki, Irini

    2017-01-01

    Microbial fuel cells (MFC) have recently received increasing attention due to their promising potential in sustainable wastewater treatment and contaminant removal. In general, contaminants can be removed either as an electron donor via microbial catalyzed oxidization at the anode or removed at t...... acceptors (e.g., nitrate, iron, copper, perchlorate) and mediators....

  16. Establishing QC/QA system in the fabrication of nuclear fuel assemblies

    International Nuclear Information System (INIS)

    Suh, K.S.; Choi, S.K.; Park, H.G.; Park, T.G.; Chung, J.S.

    1980-01-01

    Quality control instruction manuals and inspection methods for UO 2 powder and zircaloy materials as the material control, and for UO 2 pellets and nuclear fuel rods as the process control were established. And for the establishment of Q.A programme, the technical specifications of the purchased materials, the control regulation of the measuring and testing equipments, and traceability chart as a part of document control have also been provided and practically applied to the fuel fabrication process

  17. Fused-Ring Acceptors with Asymmetric Side Chains for High-Performance Thick-Film Organic Solar Cells.

    Science.gov (United States)

    Feng, Shiyu; Zhang, Cai'e; Liu, Yahui; Bi, Zhaozhao; Zhang, Zhe; Xu, Xinjun; Ma, Wei; Bo, Zhishan

    2017-11-01

    A kind of new fused-ring electron acceptor, IDT-OB, bearing asymmetric side chains, is synthesized for high-efficiency thick-film organic solar cells. The introduction of asymmetric side chains can increase the solubility of acceptor molecules, enable the acceptor molecules to pack closely in a dislocated way, and form favorable phase separation when blended with PBDB-T. As expected, PBDB-T:IDT-OB-based devices exhibit high and balanced hole and electron mobility and give a high power conversion efficiency (PCE) of 10.12%. More importantly, the IDT-OB-based devices are not very sensitive to the film thickness, a PCE of 9.17% can still be obtained even the thickness of active layer is up to 210 nm. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Single and double acceptor-levels of a carbon-hydrogen defect in n-type silicon

    Energy Technology Data Exchange (ETDEWEB)

    Stübner, R.; Scheffler, L.; Kolkovsky, Vl., E-mail: kolkov@ifpan.edu.pl; Weber, J. [Technische Universität Dresden, 01062 Dresden (Germany)

    2016-05-28

    In the present study, we discuss the origin of two dominant deep levels (E42 and E262) observed in n-type Si, which is subjected to hydrogenation by wet chemical etching or a dc H-plasma treatment. Their activation enthalpies determined from Laplace deep level transient spectroscopy measurements are E{sub C}-0.06 eV (E42) and E{sub C}-0.51 eV (E262). The similar annealing behavior and identical depth profiles of E42 and E262 correlate them with two different charge states of the same defect. E262 is attributed to a single acceptor state due to the absence of the Poole-Frenkel effect and the lack of a capture barrier for electrons. The emission rate of E42 shows a characteristic enhancement with the electric field, which is consistent with the assignment to a double acceptor state. In samples with different carbon and hydrogen content, the depth profiles of E262 can be explained by a defect with one H-atom and one C-atom. From a comparison with earlier calculations [Andersen et al., Phys. Rev. B 66, 235205 (2002)], we attribute E42 to the double acceptor and E262 to the single acceptor state of the CH{sub 1AB} configuration, where one H atom is directly bound to carbon in the anti-bonding position.

  19. A rhodanine flanked nonfullerene acceptor for solution-processed organic photovoltaics

    KAUST Repository

    Holliday, Sarah; Ashraf, Raja Shahid; Nielsen, Christian Bergenstof; Kirkus, Mindaugas; Rö hr, Jason A.; Tan, Chinghong; Collado-Fregoso, Elisa; Knall, Astrid Caroline; Durrant, James R.; Nelson, Jenny K.; McCulloch, Iain

    2015-01-01

    3HT:PC60BM devices, the acceptor does not aggregate enough to create appropriate percolation pathways that prevent fast nongeminate recombination. Despite this nonoptimal morphology the P3HT:FBR devices exhibit better performance than P3HT:PC60BM

  20. Surface protection during plasma hydrogenation for acceptor passivation in InP

    International Nuclear Information System (INIS)

    Lopata, J.; Dautremont-Smith, W.C.; Pearton, S.J.; Lee, J.W.; Ha, N.T.; Luftman, H.S.

    1990-01-01

    Various dielectric and metallic films were examined as H-permeable surface protection layers on InP during H 2 or D 2 plasma exposure for passivation of acceptors in the InP. Plasma deposited SiN x , SiO 2 , and a-Si(H) films ranging in thickness from 85 to 225 angstrom were used to protect p-InP during d 2 plasma exposure at 250 degrees C. Optimum protective layer thicknesses were determined by a trade-off between the effectiveness of the layer to prevent P loss from the wafer surface and the ability to diffuse atomic H or D at a rate greater than or equal to that in the underlying InP. SIMS and capacitance-voltage depth profiling were used to determine the extent of D in-diffusion and acceptor passivation respectively. Sputter deposited W and e-beam evaporated Ti films ∼100 Angstrom thick were also evaluated. The W coated sample yielded similar results to those with dielectric films in that acceptors in p-InP were passivated to a similar depth for the same plasma exposure. The 100 Angstrom Ti film, however, did not allow the D to diffuse into the InP substrate. It is surmised that the Ti film trapped the D, thus preventing diffusion into the substrate

  1. Retrospective analysis of 'gamma distribution' based IMRT QA criteria

    International Nuclear Information System (INIS)

    Wen, C.; Chappell, R.A.

    2010-01-01

    Full text: IMRT has been implemented into clinical practice at Royal Hobart Hospital (RHH) since mid 2006 for treating patients with Head and Neck (H and N) or prostate tumours. A local quality assurance (QA) acceptance criteria based on 'gamma distribution' for approving IMRT plan was developed and implemented in early 2007. A retrospective analysis of such criteria over 194 clinical cases will be presented. The RHH IMRT criteria was established with assumption that gamma distribution obtained through inter-comparison of 2 D dose maps between planned and delivered was governed by a positive-hail' normal distribution. A commercial system-MapCheck was used for 2 D dose map comparison with a built-in gamma analysis tool. Gamma distribution histogram was generated and recorded for all cases. By retrospectively analysing those distributions using curve fitting technique, a statistical gamma distribution can be obtained and evaluated. This analytical result can be used for future IMRT planing and treatment delivery. The analyses indicate that gamma distribution obtained through MapCheckTM is well under the normal distribution, particularly for prostate cases. The applied pass/fail criteria is not overly sensitive to identify 'false fails' but can be further tighten-up for smaller field while for larger field found in both H and N and prostate cases, the criteria was correctly applied. Non-uniform distribution of detectors in MapCheck and experience level of planners are two major factors to variation in gamma distribution among clinical cases. This criteria derived from clinical statistics is superior and more accurate than single-valued criteria for lMRT QA acceptance procedure. (author)

  2. Ultrafast electron transfer in all-carbon-based SWCNT-C60 donor-acceptor nanoensembles connected by poly(phenylene-ethynylene) spacers

    Science.gov (United States)

    Barrejón, Myriam; Gobeze, Habtom B.; Gómez-Escalonilla, María J.; Fierro, José Luis G.; Zhang, Minfang; Yudasaka, Masako; Iijima, Sumio; D'Souza, Francis; Langa, Fernando

    2016-08-01

    Building all-carbon based functional materials for light energy harvesting applications could be a solution to tackle and reduce environmental carbon output. However, development of such all-carbon based donor-acceptor hybrids and demonstration of photoinduced charge separation in such nanohybrids is a challenge since in these hybrids part of the carbon material should act as an electron donating or accepting photosensitizer while the second part should fulfil the role of an electron acceptor or donor. In the present work, we have successfully addressed this issue by synthesizing covalently linked all-carbon-based donor-acceptor nanoensembles using single-walled carbon nanotubes (SWCNTs) as the donor and C60 as the acceptor. The donor-acceptor entities in the nanoensembles were connected by phenylene-ethynylene spacer units to achieve better electronic communication and to vary the distance between the components. These novel SWCNT-C60 nanoensembles have been characterized by a number of techniques, including TGA, FT-IR, Raman, AFM, absorbance and electrochemical methods. The moderate number of fullerene addends present on the side-walls of the nanotubes largely preserved the electronic structure of the nanotubes. The thermodynamic feasibility of charge separation in these nanoensembles was established using spectral and electrochemical data. Finally, occurrence of ultrafast electron transfer from the excited nanotubes in these donor-acceptor nanohybrids has been established by femtosecond transient absorption studies, signifying their utility in building light energy harvesting devices.Building all-carbon based functional materials for light energy harvesting applications could be a solution to tackle and reduce environmental carbon output. However, development of such all-carbon based donor-acceptor hybrids and demonstration of photoinduced charge separation in such nanohybrids is a challenge since in these hybrids part of the carbon material should act as an

  3. Characterization of a prototype MR-compatible Delta4 QA system in a 1.5 tesla MR-linac

    Science.gov (United States)

    de Vries, J. H. W.; Seravalli, E.; Houweling, A. C.; Woodings, S. J.; van Rooij, R.; Wolthaus, J. W. H.; Lagendijk, J. J. W.; Raaymakers, B. W.

    2018-01-01

    To perform patient plan quality assurance (QA) on a newly installed MR-linac (MRL) it is necessary to have an MR-compatible QA device. An MR compatible device (MR-Delta4) has been developed together with Scandidos AB (Uppsala, Sweden). The basic characteristics of the detector response, such as short-term reproducibility, dose linearity, field size dependency, dose rate dependency, dose-per-pulse dependency and angular dependency, were investigated for the clinical Delta4-PT as well as for the MR compatible version. All tests were performed with both devices on a conventional linac and the MR compatible device was tested on the MRL as well. No statistically significant differences were found in the short-term reproducibility (tesla magnetic field of the Elekta MR-linac

  4. TU-A-304-00: Imaging, Treatment Planning, and QA for Stereotactic Body Radiation Therapy (SBRT)

    International Nuclear Information System (INIS)

    2015-01-01

    Increased use of SBRT and hypo fractionation in radiation oncology practice has posted a number of challenges to medical physicist, ranging from planning, image-guided patient setup and on-treatment monitoring, to quality assurance (QA) and dose delivery. This symposium is designed to provide updated knowledge necessary for the safe and efficient implementation of SBRT in various linac platforms, including the emerging digital linacs equipped with high dose rate FFF beams. Issues related to 4D CT, PET and MRI simulations, 3D/4D CBCT guided patient setup, real-time image guidance during SBRT dose delivery using gated/un-gated VMAT or IMRT, and technical advancements in QA of SBRT (in particular, strategies dealing with high dose rate FFF beams) will be addressed. The symposium will help the attendees to gain a comprehensive understanding of the SBRT workflow and facilitate their clinical implementation of the state-of-art imaging and planning techniques. Learning Objectives: Present background knowledge of SBRT, describe essential requirements for safe implementation of SBRT, and discuss issues specific to SBRT treatment planning and QA. Update on the use of multi-dimensional (3D and 4D) and multi-modality (CT, beam-level X-ray imaging, pre- and on-treatment 3D/4D MRI, PET, robotic ultrasound, etc.) for reliable guidance of SBRT. Provide a comprehensive overview of emerging digital linacs and summarize the key geometric and dosimetric features of the new generation of linacs for substantially improved SBRT. Discuss treatment planning and quality assurance issues specific to SBRT. Research grant from Varian Medical Systems

  5. TU-A-304-00: Imaging, Treatment Planning, and QA for Stereotactic Body Radiation Therapy (SBRT)

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2015-06-15

    Increased use of SBRT and hypo fractionation in radiation oncology practice has posted a number of challenges to medical physicist, ranging from planning, image-guided patient setup and on-treatment monitoring, to quality assurance (QA) and dose delivery. This symposium is designed to provide updated knowledge necessary for the safe and efficient implementation of SBRT in various linac platforms, including the emerging digital linacs equipped with high dose rate FFF beams. Issues related to 4D CT, PET and MRI simulations, 3D/4D CBCT guided patient setup, real-time image guidance during SBRT dose delivery using gated/un-gated VMAT or IMRT, and technical advancements in QA of SBRT (in particular, strategies dealing with high dose rate FFF beams) will be addressed. The symposium will help the attendees to gain a comprehensive understanding of the SBRT workflow and facilitate their clinical implementation of the state-of-art imaging and planning techniques. Learning Objectives: Present background knowledge of SBRT, describe essential requirements for safe implementation of SBRT, and discuss issues specific to SBRT treatment planning and QA. Update on the use of multi-dimensional (3D and 4D) and multi-modality (CT, beam-level X-ray imaging, pre- and on-treatment 3D/4D MRI, PET, robotic ultrasound, etc.) for reliable guidance of SBRT. Provide a comprehensive overview of emerging digital linacs and summarize the key geometric and dosimetric features of the new generation of linacs for substantially improved SBRT. Discuss treatment planning and quality assurance issues specific to SBRT. Research grant from Varian Medical Systems.

  6. Making highly conductive ZnO: creating donors and destroying acceptors

    Science.gov (United States)

    Look, D. C.; Leedy, K. D.

    2012-02-01

    We obtain room-temperature resistivities as low as ρ =1.4 x 10-4 Ω-cm in transparent Ga-doped ZnO grown on Al2O3 by pulsed laser deposition (PLD) at 200 °C in 10 mTorr of pure Ar and then annealed in a Zn enfivironment. Donor ND and acceptor NA concentrations are calculated from a recently developed scattering theory that is valid for any degenerate semiconductor material and requires only two input parameters, mobility μ and carrier concentration n measured at any temperature in the range 5 - 300 K. By comparison with SIMS and positron annihilation measurements, it has been shown that the donors in these samples are mostly GaZn, as expected, but that the acceptors are point defects, Zn vacancies VZn. PLD growth in Ar at 200 °C produces a high concentration of donors [GaZn] = 1.4 x 1021 cm-3, but VZn acceptors are produced at the same time, due to self-compensation. Fortunately, a large fraction of the VZn can be eliminated by annealing in a Zn environment. The theory gives ND and NA, and thus [GaZn] and [VZn], at each step of the growth and annealing process. For convenience, the theory is presented graphically, as plots of μ vs n at various values of compensation ratio K = NA/ND. From the value of K corresponding to the experimental values of μ and n, it is possible to calculate ND = n/(1 - K) and NA = nK/(1 - K).

  7. Electrochemical study of quinone redox cycling: A novel application of DNA-based biosensors for monitoring biochemical reactions.

    Science.gov (United States)

    Ensafi, Ali A; Jamei, Hamid Reza; Heydari-Bafrooei, Esmaeil; Rezaei, B

    2016-10-01

    This paper presents the results of an experimental investigation of voltammetric and impedimetric DNA-based biosensors for monitoring biological and chemical redox cycling reactions involving free radical intermediates. The concept is based on associating the amounts of radicals generated with the electrochemical signals produced, using differential pulse voltammetry (DPV) and electrochemical impedance spectroscopy (EIS). For this purpose, a pencil graphite electrode (PGE) modified with multiwall carbon nanotubes and poly-diallydimethlammonium chloride decorated with double stranded fish sperm DNA was prepared to detect DNA damage induced by the radicals generated from a redox cycling quinone (i.e., menadione (MD; 2-methyl-1,4-naphthoquinone)). Menadione was employed as a model compound to study the redox cycling of quinones. A direct relationship was found between free radical production and DNA damage. The relationship between MD-induced DNA damage and free radical generation was investigated in an attempt to identify the possible mechanism(s) involved in the action of MD. Results showed that DPV and EIS were appropriate, simple and inexpensive techniques for the quantitative and qualitative comparisons of different reducing reagents. These techniques may be recommended for monitoring DNA damages and investigating the mechanisms involved in the production of redox cycling compounds. Copyright © 2016 Elsevier B.V. All rights reserved.

  8. A multi-institutional survey evaluating patient related QA – phase II

    Directory of Open Access Journals (Sweden)

    Teichmann Tobias

    2017-09-01

    Full Text Available In phase I of the survey a planning intercomparison of patient-related QA was performed at 12 institutions. The participating clinics created phantom based IMRT and VMAT plans which were measured utilizing the ArcCheck diode array. Mobius3D (M3D was used in phase II. It acts as a secondary dose verification tool for patient-specific QA based on average linac beam data collected by Mobius Medical Systems. All Quasimodo linac plans will be analyzed for the continuation of the intercomparison. We aim to determine if Mobius3D is suited for use with diverse treatment techniques, if beam model customization is needed. Initially we computed first Mobius3D results by transferring all plans from phase I to our Mobius3D server. Because of some larger PTV mean dose differences we checked if output factor customization would be beneficial. We performed measurements and output factor correction to account for discrepancies in reference conditions. Compared to Mobius3D's preconfigured average beam data values, these corrected output factors differed by ±1.5% for field sizes between 7x7cm2 and 30x30cm2 and to −3.9% for 3x3cm2. Our method of correcting the output factors turns out good congruence to M3D's reference values for these medium field sizes.

  9. Confocal Microscopy and Flow Cytometry System Performance: Assessment of QA Parameters that affect data Quanitification

    Science.gov (United States)

    Flow and image cytometers can provide useful quantitative fluorescence data. We have devised QA tests to be used on both a flow cytometer and a confocal microscope to assure that the data is accurate, reproducible and precise. Flow Cytometry: We have provided two simple perform...

  10. Initial application of a geometric QA tool for integrated MV and kV imaging systems on three image guided radiotherapy systems.

    Science.gov (United States)

    Mao, Weihua; Speiser, Michael; Medin, Paul; Papiez, Lech; Solberg, Timothy; Xing, Lei

    2011-05-01

    Several linacs with integrated kilovoltage (kV) imaging have been developed for delivery of image guided radiation therapy (IGRT). High geometric accuracy and coincidence of kV imaging systems and megavoltage (MV) beam delivery are essential for successful image guidance. A geometric QA tool has been adapted for routine QA for evaluating and characterizing the geometric accuracy of kV and MV cone-beam imaging systems. The purpose of this work is to demonstrate the application of methodology to routine QA across three IGRT-dedicated linac platforms. It has been applied to a Varian Trilogy (Varian Medical Systems, Palo Alto, CA), an Elekta SynergyS (Elekta, Stockholm, Sweden), and a Brainlab Vero (Brainlab AG, Feldkirchen, Germany). Both the Trilogy and SynergyS linacs are equipped with a retractable kV x-ray tube and a flat panel detector. The Vero utilizes a rotating, rigid ring structure integrating a MV x-ray head mounted on orthogonal gimbals, an electronic portal imaging device (EPID), two kV x-ray tubes, and two fixed flat panel detectors. This dual kV imaging system provides orthogonal radiographs, CBCT images, and real-time fluoroscopic monitoring. Two QA phantoms were built to suit different field sizes. Projection images of a QA phantom were acquired using MV and kV imaging systems at a series of gantry angles. Software developed for this study was used to analyze the projection images and calculate nine geometric parameters for each projection. The Trilogy was characterized five times over one year, while the SynergyS was characterized four times and the Vero once. Over 6500 individual projections were acquired and analyzed. Quantitative geometric parameters of both MV and kV imaging systems, as well as the isocenter consistency of the imaging systems, were successfully evaluated. A geometric tool has been successfully implemented for calibration and QA of integrated kV and MV across a variety of radiotherapy platforms. X-ray source angle deviations up to

  11. Worldwide QA networks for radiotherapy dosimetry

    International Nuclear Information System (INIS)

    Izewska, J.; Svensson, H.; Ibbott, G.

    2002-01-01

    institutions participating in the U.S. National Cancer Institute's (NCI's) co-operative clinical trials. The RPC currently monitors approximately 1300 centres throughout the USA, Canada and several other countries. The audit tools include, in addition to mailed TLD, review of the institution's dosimetry data, the treatment records of patients entered into trials, and the institution's QA programme. Anthropomorphic phantoms have been developed to evaluate specific treatment techniques. Other currently operating external audit programmes have been either associated with national and international clinical trial groups, similarly to RPC, e.g. EORTC (European Organisation for Research in Treatment of Cancer) in Europe, MRC (Medical Research Council) in the UK, or have been one-off national dosimetry intercomparison exercises, carried out to test various levels of radiotherapy dosimetry, e.g. in Sweden, the Netherlands, Belgium, Switzerland, Australia. Some individual countries have set up comprehensive regular audits of radiotherapy centres, including QA programmes, equipment and dosimetry, e.g. Finland, New Zealand. The IAEA supports its Member States in developing national programmes for TLD based QA audits in radiotherapy dosimetry and whenever possible, establishes links between the national programmes and the IAEA's Dosimetry Laboratory. It disseminates its standardised TLD methodology and provides technical back up to national TLD networks assuring at the same time traceability to primary dosimetry standards. There are several countries (Argentina, Algeria, Brazil, China, Colombia, Cuba, Czech Republic, India, Israel, Malaysia, Philippines, Poland and Vietnam) that have established TLD programmes to audit radiotherapy beams in their countries with assistance of the IAEA. Recently a new IAEA project has been initiated for national TLD audits in non-reference conditions as significant numbers of deviations in non-reference situations, as used clinically on patients, have been

  12. Pulse radiolytic and electrochemical investigations of intramolecular electron transfer in carotenoporphyrins and carotenoporphyrin-quinone triads

    International Nuclear Information System (INIS)

    Land, E.J.; Lexa, D.; Bensasson, R.V.; Gust, D.; Moore, T.A.; Moore, A.L.; Liddell, P.A.; Nemeth, G.A.

    1987-01-01

    Thermodynamic and kinetic aspects of intramolecular electron-transfer reactions in carotenoporphyrin dyads and carotenoid-porphyrin-quinone triads have been studied by using pulse radiolysis and cyclic voltammetry. Rapid (<1 μs) electron transfer from carotenoid radical anions to attached porphyrins has been inferred. Carotenoid cations, on the other hand, do not readily accept electrons from attached porphyrins or pyropheophorbides. Electrochemical studies provide the thermodynamic basis for these observations and also allow estimation of the energetics of photoinitiated two-step electron transfer and two-step charge recombination in triad models for photosynthetic charge separation

  13. J-V and C-V investigation of the effect of small molecular fullerene and non-fullerene acceptors for CH3NH3PbI3 perovskite solar cell

    Science.gov (United States)

    Zheng, Yanqiong; Wang, Chao; Yu, Junle; Yang, Fang; Zhang, Jing; Wei, Bin; Li, Weishi

    2017-11-01

    To find the ideal acceptors for perovskite solar cells (PSCs) and get insight into the dielectric property at the interface between perovskite and acceptor, series of small molecular fullerene and non-fullerene acceptors were comparatively investigated. Fullerene acceptors based PSCs show higher performance than non-fullerene acceptors based PSCs. However, the perylene tetracarboxylic diimide based PSC has achieved a η PCE of 4.70%, implying that it is a promising acceptor candidate for PSCs because of its suitable energy level, high electron mobility, and smooth surface. By employing double acceptors of (6,6)-phenyl-C61-butyric acid methyl ester (PCBM)/C60 or PCBM/3,4,9,10-perylenetetracarboxylic bisbenzimidazole, the PSC stability is greatly improved even without performance enhancement. The perovskite (Pero)/PCBM film shows smooth surface, suggesting that PCBM penetrates into the Pero layer. The hydrophobicity trend of Pero/acceptor composite films is same as the device performance by judging from the water contact angle, and Pero/PCBM as well as Pero/C60 show higher hydrophobicity than other Pero/small-molecular-acceptor composite films. Capacitance-voltage characteristics of the series of single and double acceptor based PSCs were measured. The double acceptor based PSCs show larger depletion layer width (W d) than single acceptor based PSCs. Meanwhile, the defect density (N A) in Pero layer for single acceptor based PSCs is larger than that for double acceptor based PSCs, implying better n-doping of Pero layer by using a single acceptor.

  14. Anaerobic α-Amylase Production and Secretion with Fumarate as the Final Electron Acceptor in Saccharomyces cerevisiae

    DEFF Research Database (Denmark)

    Liu, Zihe; Österlund, Tobias; Hou, Jin

    2013-01-01

    In this study, we focus on production of heterologous α-amylase in the yeast Saccharomyces cerevisiae under anaerobic conditions. We compare the metabolic fluxes and transcriptional regulation under aerobic and anaerobic conditions, with the objective of identifying the final electron acceptor...... reticulum are transferred to fumarate as the final electron acceptor. This model is supported by findings that the addition of fumarate under anaerobic (but not aerobic) conditions improves cell growth, specifically in the α-amylase-producing strain, in which it is not used as a carbon source. Our results...... provide a model for the molecular mechanism of anaerobic protein secretion using fumarate as the final electron acceptor, which may allow for further engineering of yeast for improved protein secretion under anaerobic growth conditions....

  15. Chloroplast Redox Imbalance Governs Phenotypic Plasticity: the Grand Design of Photosynthesis Revisited

    Directory of Open Access Journals (Sweden)

    Norman eHuner

    2012-11-01

    Full Text Available Sunlight, the ultimate energy source for life on our planet, enters the biosphere as a direct consequence of the evolution of photoautotrophy. Photoautotrophs must balance the light energy absorbed and trapped through extremely fast, temperature-insensitive photochemistry with energy consumed through much slower, temperature-dependent biochemistry and metabolism. The attainment of such a balance in cellular energy flow between chloroplasts, mitochondria and the cytosol is called photostasis. Photoautotrophs sense cellular energy imbalances through modulation of excitation pressure which is a measure of the relative redox state of QA, the first stable quinone electron acceptor of PSII reaction centers. High excitation pressure constitutes a potential stress condition that can be caused either by exposure to an irradiance that exceeds the capacity of C, N and S assimilation to utilize the electrons generated from the absorbed energy or by low temperature or any stress that decreases the capacity of the metabolic pathways downstream of photochemistry to utilize photosynthetically-generated reductants. The similarities and differences in the phenotypic responses between cyanobacteria, green algae, crop plants and variegation mutants of Arabidopsis thaliana as a function of cold acclimation and photoacclimation are reconciled in terms of differential responses to excitation pressure and the predisposition of photoautotrophs to maintain photostasis. The various acclimation strategies associated with green algae and cyanobacteria versus winter cereals and Arabidopsis thaliana are discussed in terms of retrograde regulation and the grand design of photosynthesis originally proposed by Daniel Arnon in 1982.

  16. Influence of substitution of the proton donor and proton acceptor abilities of molecules. 1. The development method of definition proton donor and proton acceptor abilities A-H containing molecules

    International Nuclear Information System (INIS)

    Nurulloev, M.; Narziev, B.N.; Islomov, Z.; Fayzieva, M.

    2005-01-01

    The influence of nature of the assistant is investigated in work, it is quantity and a site on proton donor and proton acceptor abilities. A-H containing organic connections and ways, of definition of these abilities are developed by the method, of IR spectroscopy. It is developed model and it offered a technique of definition of these abilities. It is shown that the proton donor and proton acceptor is abilities of molecules as constants, are one of individual physical and chemical characteristics A-H of containing organic connections. These sizes determine the abilities of molecules, to form the intermolecular hydrogen connections, disabilities of the H-complexes formed in condensed, environments concerning to the non replaced molecule

  17. Electron Transfer in Donor-Bridge-Acceptor Systems and Derived Materials

    NARCIS (Netherlands)

    Oosterbaan, W.D.

    2002-01-01

    Some aspects of photoinduced electron transfer (ET) in (electron donor)-bridge-(electron acceptor) compounds (D-B-A) and derived materials are investigated. Aim I is to determine how and to which extent non-conjugated double bonds in an otherwise saturated hydrocarbon bridge affect the rate of

  18. Deep nets vs expert designed features in medical physics: An IMRT QA case study.

    Science.gov (United States)

    Interian, Yannet; Rideout, Vincent; Kearney, Vasant P; Gennatas, Efstathios; Morin, Olivier; Cheung, Joey; Solberg, Timothy; Valdes, Gilmer

    2018-03-30

    The purpose of this study was to compare the performance of Deep Neural Networks against a technique designed by domain experts in the prediction of gamma passing rates for Intensity Modulated Radiation Therapy Quality Assurance (IMRT QA). A total of 498 IMRT plans across all treatment sites were planned in Eclipse version 11 and delivered using a dynamic sliding window technique on Clinac iX or TrueBeam Linacs. Measurements were performed using a commercial 2D diode array, and passing rates for 3%/3 mm local dose/distance-to-agreement (DTA) were recorded. Separately, fluence maps calculated for each plan were used as inputs to a convolution neural network (CNN). The CNNs were trained to predict IMRT QA gamma passing rates using TensorFlow and Keras. A set of model architectures, inspired by the convolutional blocks of the VGG-16 ImageNet model, were constructed and implemented. Synthetic data, created by rotating and translating the fluence maps during training, was created to boost the performance of the CNNs. Dropout, batch normalization, and data augmentation were utilized to help train the model. The performance of the CNNs was compared to a generalized Poisson regression model, previously developed for this application, which used 78 expert designed features. Deep Neural Networks without domain knowledge achieved comparable performance to a baseline system designed by domain experts in the prediction of 3%/3 mm Local gamma passing rates. An ensemble of neural nets resulted in a mean absolute error (MAE) of 0.70 ± 0.05 and the domain expert model resulted in a 0.74 ± 0.06. Convolutional neural networks (CNNs) with transfer learning can predict IMRT QA passing rates by automatically designing features from the fluence maps without human expert supervision. Predictions from CNNs are comparable to a system carefully designed by physicist experts. © 2018 American Association of Physicists in Medicine.

  19. Quantum computing with acceptor spins in silicon.

    Science.gov (United States)

    Salfi, Joe; Tong, Mengyang; Rogge, Sven; Culcer, Dimitrie

    2016-06-17

    The states of a boron acceptor near a Si/SiO2 interface, which bind two low-energy Kramers pairs, have exceptional properties for encoding quantum information and, with the aid of strain, both heavy hole and light hole-based spin qubits can be designed. Whereas a light-hole spin qubit was introduced recently (arXiv:1508.04259), here we present analytical and numerical results proving that a heavy-hole spin qubit can be reliably initialised, rotated and entangled by electrical means alone. This is due to strong Rashba-like spin-orbit interaction terms enabled by the interface inversion asymmetry. Single qubit rotations rely on electric-dipole spin resonance (EDSR), which is strongly enhanced by interface-induced spin-orbit terms. Entanglement can be accomplished by Coulomb exchange, coupling to a resonator, or spin-orbit induced dipole-dipole interactions. By analysing the qubit sensitivity to charge noise, we demonstrate that interface-induced spin-orbit terms are responsible for sweet spots in the dephasing time [Formula: see text] as a function of the top gate electric field, which are close to maxima in the EDSR strength, where the EDSR gate has high fidelity. We show that both qubits can be described using the same starting Hamiltonian, and by comparing their properties we show that the complex interplay of bulk and interface-induced spin-orbit terms allows a high degree of electrical control and makes acceptors potential candidates for scalable quantum computation in Si.

  20. Phenyl vs Alkyl Polythiophene: A Solar Cell Comparison Using a Vinazene Derivative as Acceptor

    KAUST Repository

    Woo, Claire H.; Holcombe, Thomas W.; Unruh, David A.; Sellinger, Alan; Fréchet, Jean M. J.

    2010-01-01

    The solar cell performance of poly[3-(4-n-octyl)-phenylthiophene] (POPT) and poly(3hexylthiophene) (P3HT) are compared in devices using 4,7-bis(2-(l-(2-ethylhexyl)-4,5-dicyanoimidazol-2-yl)vinyi)benzo[c][l,2,5] -thiadiazole (EV-BT) as the electron acceptor. Despite their reduced light absorption, POPT:EV-BT devices generate higher photocurrents in both bilayer and bulk heterojunction (BHJ) architectures than analogous P3HT:EV-BT devices. Optimized POPT:EV-BT BHJ devices achieve 1.4% average efficiency, whereas the analogous P3HT devices only reach 1.1%. Morphology does not account for the large difference in performance as AFM studies of the active layer suggest, comparable levels of phase separation in the two systems. Reverse bias analysis demonstrates that P3HT devices have a higher maximum potential than POPT devices, but P3HT devices appear to be more severely limited by recombination losses under standard operating conditions. A possible explanation for the superior performance in POPT devices is that the pendant phenyl ring in POPT can twist out-of-plane and increase the separation distance with the acceptor molecule. A larger donor/acceptor separation distance can destabilize the geminate pair and lead to more efficient charge separation in POPT:EV-BT devices. Our results emphasize the importance of donor/acceptor pair interactions and its effect on charge separation, processes in polymer solar cells. © 2010 American Chemical Society.