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Sample records for 6-4 photolyase crystal

  1. Crystal structure of a prokaryotic (6-4) photolyase with an Fe-S cluster and a 6,7-dimethyl-8-ribityllumazine antenna chromophore

    PubMed Central

    Zhang, Fan; Scheerer, Patrick; Oberpichler, Inga; Lamparter, Tilman; Krauß, Norbert

    2013-01-01

    The (6-4) photolyases use blue light to reverse UV-induced (6-4) photoproducts in DNA. This (6-4) photorepair was thought to be restricted to eukaryotes. Here we report a prokaryotic (6-4) photolyase, PhrB from Agrobacterium tumefaciens, and propose that (6-4) photolyases are broadly distributed in prokaryotes. The crystal structure of photolyase related protein B (PhrB) at 1.45 Å resolution suggests a DNA binding mode different from that of the eukaryotic counterparts. A His-His-X-X-Arg motif is located within the proposed DNA lesion contact site of PhrB. This motif is structurally conserved in eukaryotic (6-4) photolyases for which the second His is essential for the (6-4) photolyase function. The PhrB structure contains 6,7-dimethyl-8-ribityllumazine as an antenna chromophore and a [4Fe-4S] cluster bound to the catalytic domain. A significant part of the Fe-S fold strikingly resembles that of the large subunit of eukaryotic and archaeal primases, suggesting that the PhrB-like photolyases branched at the base of the evolution of the cryptochrome/photolyase family. Our study presents a unique prokaryotic (6-4) photolyase and proposes that the prokaryotic (6-4) photolyases are the ancestors of the cryptochrome/photolyase family. PMID:23589886

  2. Energetics of Photoinduced Charge Migration within the Tryptophan Tetrad of an Animal (6-4) Photolyase.

    PubMed

    Cailliez, Fabien; Müller, Pavel; Firmino, Thiago; Pernot, Pascal; de la Lande, Aurélien

    2016-02-17

    Cryptochromes and photolyases are flavoproteins that undergo cascades of electron/hole transfers after excitation of the flavin cofactor. It was recently discovered that animal (6-4) photolyases, as well as animal cryptochromes, feature a chain of four tryptophan residues, while other members of the family contain merely a tryptophan triad. Transient absorption spectroscopy measurements on Xenopus laevis (6-4) photolyase have shown that the fourth residue is effectively involved in photoreduction but at the same time could not unequivocally ascertain the final redox state of this residue. In this article, polarizable molecular dynamics simulations and constrained density functional theory calculations are carried out to reveal the energetics of charge migration along the tryptophan tetrad. Migration toward the fourth tryptophan is found to be thermodynamically favorable. Electron transfer mechanisms are sought either through an incoherent hopping mechanism or through a multiple sites tunneling process. The Jortner-Bixon formulation of electron transfer (ET) theory is employed to characterize the hopping mechanism. The interplay between electron transfer and relaxation of protein and solvent is analyzed in detail. Our simulations confirm that ET in (6-4) photolyase proceeds out of equilibrium. Multiple site tunneling is modeled with the recently proposed flickering resonance mechanism. Given the position of energy levels and the distribution of electronic coupling values, tunneling over three tryptophan residues may become competitive in some cases, although a hopping mechanism is likely to be the dominant channel. For both reactive channels, computed rates are very sensitive to the starting protein configuration, suggesting that both can take place and eventually be mixed, depending on the state of the system when photoexcitation takes place. PMID:26765169

  3. Physicochemical Mechanism of Light-Driven DNA Repair by (6-4) Photolyases

    NASA Astrophysics Data System (ADS)

    Faraji, Shirin; Dreuw, Andreas

    2014-04-01

    DNA photolyases are light-activated enzymes that repair DNA damage induced by ultraviolet (UV) radiation. UV radiation causes two of the most abundant mutagenic and cytotoxic DNA lesions: cyclobutane pyrimidine dimers and 6-4 photolesions. Photolyases selectively bind to DNA and initiate the splitting of mutagenic pyrimidine dimers via photoinduced electron transfer from a flavin adenine dinucleotide anion (FADH-) to the lesion triggering its repair. This review discusses the consecutive steps of the repair process, from both experimental and theoretical points of view. It covers the following issues: the process of how photolyases accommodate the lesion into their binding pockets, excitation energy transfer between two involved catalytic cofactors, photoinduced electron transfer to the lesion, the splitting of the pyrimidine dimer radical anion, and the fate of the unstable radical species created after the splitting of the thymine dimer. In particular, mechanisms of the splitting and restoration of the original bases are described in detail, and the most probable repair pathways are outlined.

  4. Physicochemical mechanism of light-driven DNA repair by (6-4) photolyases.

    PubMed

    Faraji, Shirin; Dreuw, Andreas

    2014-01-01

    DNA photolyases are light-activated enzymes that repair DNA damage induced by ultraviolet (UV) radiation. UV radiation causes two of the most abundant mutagenic and cytotoxic DNA lesions: cyclobutane pyrimidine dimers and 6-4 photolesions. Photolyases selectively bind to DNA and initiate the splitting of mutagenic pyrimidine dimers via photoinduced electron transfer from a flavin adenine dinucleotide anion (FADH(-)) to the lesion triggering its repair. This review discusses the consecutive steps of the repair process, from both experimental and theoretical points of view. It covers the following issues: the process of how photolyases accommodate the lesion into their binding pockets, excitation energy transfer between two involved catalytic cofactors, photoinduced electron transfer to the lesion, the splitting of the pyrimidine dimer radical anion, and the fate of the unstable radical species created after the splitting of the thymine dimer. In particular, mechanisms of the splitting and restoration of the original bases are described in detail, and the most probable repair pathways are outlined. PMID:24364918

  5. Functional Conversion of CPD and (6-4) Photolyases by Mutation.

    PubMed

    Yamada, Daichi; Dokainish, Hisham M; Iwata, Tatsuya; Yamamoto, Junpei; Ishikawa, Tomoko; Todo, Takeshi; Iwai, Shigenori; Getzoff, Elizabeth D; Kitao, Akio; Kandori, Hideki

    2016-08-01

    Ultraviolet (UV) light from the sun damages DNA by forming a cyclobutane pyrimidine dimer (CPD) and pyrimidine(6-4)pyrimidone photoproducts [(6-4) PP]. Photolyase (PHR) enzymes utilize near-UV/blue light for DNA repair, which is initiated by light-induced electron transfer from the fully reduced flavin adenine dinucleotide chromophore. Despite similar structures and repair mechanisms, the functions of PHR are highly selective; CPD PHR repairs CPD, but not (6-4) PP, and vice versa. In this study, we attempted functional conversion between CPD and (6-4) PHRs. We found that a triple mutant of (6-4) PHR is able to repair the CPD photoproduct, though the repair efficiency is 1 order of magnitude lower than that of wild-type CPD PHR. Difference Fourier transform infrared spectra for repair demonstrate the lack of secondary structural alteration in the mutant, suggesting that the triple mutant gains substrate binding ability while it does not gain the optimized conformational changes from light-induced electron transfer to the release of the repaired DNA. Interestingly, the (6-4) photoproduct is not repaired by the reverse mutation of CPD PHR, and eight additional mutations (total of 11 mutations) introduced into CPD PHR are not sufficient. The observed asymmetric functional conversion is interpreted in terms of a more complex repair mechanism for (6-4) repair, which was supported by quantum chemical/molecular mechanical calculation. These results suggest that CPD PHR may represent an evolutionary origin for photolyase family proteins. PMID:27431478

  6. Characterization and Differential Expression of CPD and 6-4 DNA Photolyases in Xiphophorus Species and Interspecies Hybrids★

    PubMed Central

    Walter, Dylan J.; Boswell, Mikki; Volk de García, Sara M.; Walter, Sean M.; Breitenfeldt, Eric W.; Boswell, William; Walter, Ronald B.

    2014-01-01

    Among the many Xiphophorus interspecies hybrid tumor models are those that exhibit ultraviolet light (UVB) induced melanoma. In previous studies, assessment of UVB induced DNA damage and nucleotide excision DNA repair has been performed in parental lines and interspecies hybrids. Species and hybrid specific differences in the levels of DNA damage induced and the dark repair rates for cyclobutane pyrimidine dimers (CPDs) and 6-4 pyrimidine pyrimidine photoproducts (6-4PPs) have been reported. However, UVB induced DNA lesions in Xiphophorus fishes are thought to primarily be repaired via light dependent CPD and 6-4PP specific photolyases. Photolyases are of evolutionary interest since they are ancient and presumably function solely to ameliorate the deleterious effects of UVB exposure. Herein, we report results from detailed studies of CPD and 6-4PP photolyase gene expression within several Xiphophorus tissues. We determined photolyase gene expression patterns before and after exposure to fluorescent light in X. maculatus, X. couchianus, and for F1 interspecies hybrids produced from crossing these two parental lines (×. maculatus Jp 163 B × X. couchianus). We present novel results showing these two photolyase genes exhibit species, tissue, and hybrid-specific differences in basal and light induced gene expression. PMID:24496042

  7. A quantum chemical perspective on (6-4) photolesion repair by photolyases.

    PubMed

    Dreuw, Andreas; Faraji, Shirin

    2013-12-14

    (6-4)-Photolyases are fascinating enzymes which repair (6-4)-DNA photolesions utilizing light themselves. It is well known that upon initial photo-excitation of an antenna pigment an electron is transferred from an adjacent FADH(-) cofactor to the photolesion initiating repair, i.e. restoration of the original undamaged DNA bases. Concerning the molecular details of this amazing repair mechanism, the early steps of energy transfer and catalytic electron generation are well understood, the terminal repair mechanism, however, is still a matter of ongoing debate. In this perspective article, recent results of quantum chemical investigations are presented, and their meaning for the repair mechanism under natural conditions is outlined. Consequences of natural light conditions, temperature and thermal equilibration are highlighted when issues like the initial protonation state of the relevant histidines and the lesion, or the direction of electron transfer are discussed. PMID:24145385

  8. Structural Changes of the Active Center during the Photoactivation of Xenopus (6-4) Photolyase.

    PubMed

    Yamada, Daichi; Yamamoto, Junpei; Zhang, Yu; Iwata, Tatsuya; Hitomi, Kenichi; Getzoff, Elizabeth D; Iwai, Shigenori; Kandori, Hideki

    2016-02-01

    Photolyases (PHRs) repair the UV-induced photoproducts, cyclobutane pyrimidine dimer (CPD) or pyrimidine-pyrimidone (6-4) photoproduct [(6-4) PP], restoring normal bases to maintain genetic integrity. CPD and (6-4) PP are repaired by substrate-specific PHRs, CPD PHR and (6-4) PHR, respectively. Flavin adenine dinucleotide (FAD) is the chromophore of both PHRs, and the resting oxidized form (FAD(ox)), at least under in vitro purified conditions, is first photoconverted to the neutral semiquinoid radical (FADH(•)) form, followed by photoconversion into the enzymatically active fully reduced (FADH(-)) form. Previously, we reported light-induced difference Fourier transform infrared (FTIR) spectra corresponding to the photoactivation process of Xenopus (6-4) PHR. Spectral differences between the absence and presence of (6-4) PP were observed in the photoactivation process. To identify the FTIR signals where these differences appeared, we compared the FTIR spectra of photoactivation (i) in the presence and absence of (6-4) PP, (ii) of (13)C labeling, (15)N labeling, and [(14)N]His/(15)N labeling, and (iii) of H354A and H358A mutants. We successfully assigned the vibrational bands for (6-4) PP, the α-helix and neutral His residue(s). In particular, we assigned three bands to the C ═ O groups of (6-4) PP in the three different redox states of FAD. Furthermore, the changed hydrogen bonding environments of C ═ O groups of (6-4) PP suggested restructuring of the binding pocket of the DNA lesion in the process of photoactivation. PMID:26719910

  9. Structural role of two histidines in the (6-4) photolyase reaction

    PubMed Central

    Yamada, Daichi; Iwata, Tatsuya; Yamamoto, Junpei; Hitomi, Kenichi; Todo, Takeshi; Iwai, Shigenori; Getzoff, Elizabeth D.; Kandori, Hideki

    2015-01-01

    Photolyases (PHRs) are DNA repair enzymes that revert UV-induced photoproducts, either cyclobutane pyrimidine dimers (CPD) or (6-4) photoproducts (PPs), into normal bases to maintain genetic integrity. (6-4) PHR must catalyze not only covalent bond cleavage, but also hydroxyl or amino group transfer, yielding a more complex mechanism than that postulated for CPD PHR. Previous mutation analysis revealed the importance of two histidines in the active center, H354 and H358 for Xenopus (6-4) PHR, whose mutations significantly lowered the enzymatic activity. Based upon highly sensitive FTIR analysis of the repair function, here we report that both H354A and H358A mutants of Xenopus (6-4) PHR still maintain their repair activity, although the efficiency is much lower than that of the wild type. Similar difference FTIR spectra between the wild type and mutant proteins suggest a common mechanism of repair in which (6-4) PP binds to the active center of each mutant, and is released after repair, as occurs in the wild type. Similar FTIR spectra also suggest that a decrease in volume by the H-to-A mutation is possibly compensated by the addition of water molecule( s). Such a modified environment is sufficient for the repair function that is probably controlled by proton-coupled electron transfer between the enzyme and substrate. On the other hand, two histidines must work in a concerted manner in the active center of the wild-type enzyme, which significantly raises the repair efficiency. PMID:27493863

  10. Key Amino Acids in the Bacterial (6-4) Photolyase PhrB from Agrobacterium fabrum

    PubMed Central

    Graf, Dominik; Wesslowski, Janine; Ma, Hongju; Scheerer, Patrick; Krauß, Norbert; Oberpichler, Inga; Zhang, Fan; Lamparter, Tilman

    2015-01-01

    Photolyases can repair pyrimidine dimers on the DNA that are formed during UV irradiation. PhrB from Agrobacterium fabrum represents a new group of prokaryotic (6–4) photolyases which contain an iron-sulfur cluster and a DMRL chromophore. We performed site-directed mutagenesis in order to assess the role of particular amino acid residues in photorepair and photoreduction, during which the FAD chromophore converts from the oxidized to the enzymatically active, reduced form. Our study showed that Trp342 and Trp390 serve as electron transmitters. In the H366A mutant repair activity was lost, which points to a significant role of His366 in the protonation of the lesion, as discussed for the homolog in eukaryotic (6–4) photolyases. Mutants on cysteines that coordinate the Fe-S cluster of PhrB were either insoluble or not expressed. The same result was found for proteins with a truncated C-terminus, in which one of the Fe-S binding cysteines was mutated and for expression in minimal medium with limited Fe concentrations. We therefore assume that the Fe-S cluster is required for protein stability. We further mutated conserved tyrosines that are located between the DNA lesion and the Fe-S cluster. Mutagenesis results showed that Tyr424 was essential for lesion binding and repair, and Tyr430 was required for efficient repair. The results point to an important function of highly conserved tyrosines in prokaryotic (6–4) photolyases. PMID:26489006

  11. Characterization of the Intermediate in and Identification of the Repair Mechanism of (6-4) Photolesions by Photolyases.

    PubMed

    Faraji, Shirin; Zhong, Dongping; Dreuw, Andreas

    2016-04-18

    Quantum mechanics/molecular mechanics calculations are employed to assign previously recorded experimental spectroscopic signatures of the intermediates occurring during the photo-induced repair of (6-4) photolesions by photolyases to specific molecular structures. Based on this close comparison of experiment and theory it is demonstrated that the acting repair mechanism involves proton transfer from the protonated His365 to the N3' nitrogen of the lesion, which proceeds simultaneously with intramolecular OH transfer along an oxetane-like transition state. PMID:26996356

  12. Quantum chemical study of the enzymatic repair of T(6-4)C/C(6-4)T UV-photolesions by DNA photolyases.

    PubMed

    Faraji, Shirin; Wirz, Lukas; Dreuw, Andreas

    2013-08-26

    Several strategies have evolved to repair one of the abundant UV radiation-induced damages caused to DNA, namely the mutagenic pyrimidine (6-4) pyrimidone photolesions. DNA (6-4)-photolyases are enzymes repairing these lesions by a photoinitiated electron transfer. An important aspect of a possible repair mechanism is its generality and transferability to different (6-4) lesions. Therefore, previously suggested mechanisms for the repair of the T(6-4)T lesion are here transferred to the T(6-4)C and C(6-4)T lesions and investigated theoretically using quantum chemical methods. Despite the different functional groups of the pyrimidine bases involved, a general valid molecular mechanism was identified, in which the initial step is an electron transfer coupled to a proton transfer from the protonated HIS365 to the N3(') nitrogen of the 3(') pyrimidine, followed by an intramolecular OH/NH2 transfer in one concerted step, which does not require an oxetane/azetidine or isolated water/ammonia intermediate. PMID:23821498

  13. The g-tensor of the flavin cofactor in (6-4) photolyase: a 360 GHz/12.8 T electron paramagnetic resonance study

    NASA Astrophysics Data System (ADS)

    Schnegg, A.; Kay, C. W. M.; Schleicher, E.; Hitomi, K.; Todo, T.; Möbius, K.; Weber, S.

    2006-05-01

    The g-tensor of the neutral radical form of the flavin adenine dinucleotide cofactor FADH• of (6-4) photolyase from Xenopus laevis has been determined by very high-magnetic-field/high-microwave-frequency electron-paramagnetic resonance (EPR) performed at 360 GHz/12.8 T. Due to the high spectral resolution the anisotropy of the g-tensor could be fully resolved in the frozen-solution continuous-wave EPR spectrum. By least square fittings of spectral simulations to experimental data, the principal values of the g-tensor have been established: gX = 2.00433(5), gY = 2.00368(5), gZ = 2.00218(7). A comparison of very high-field EPR data and proton and deuteron electron-nuclear double resonance measurements yielded precise information concerning the orientation of the g-tensor with respect to the molecular frame. This data allowed a comparison to be made between the principal values of the g-tensors of the FADH• cofactors of photolyases involved in the repair of two different DNA lesions: the cyclobutane pyrimidine dimer (CPD) and the (6-4) photoproduct. It was found that gX and gZ are similar in both enzymes, whereas the gY component is slightly larger in (6-4) photolyase. This result clearly shows the sensitivity of the g-tensor to subtle differences in the protein environment experienced by the flavin.

  14. Crystal structures of an archaeal class II DNA photolyase and its complex with UV-damaged duplex DNA.

    PubMed

    Kiontke, Stephan; Geisselbrecht, Yann; Pokorny, Richard; Carell, Thomas; Batschauer, Alfred; Essen, Lars-Oliver

    2011-11-01

    Class II photolyases ubiquitously occur in plants, animals, prokaryotes and some viruses. Like the distantly related microbial class I photolyases, these enzymes repair UV-induced cyclobutane pyrimidine dimer (CPD) lesions within duplex DNA using blue/near-UV light. Methanosarcina mazei Mm0852 is a class II photolyase of the archaeal order of Methanosarcinales, and is closely related to plant and metazoan counterparts. Mm0852 catalyses light-driven DNA repair and photoreduction, but in contrast to class I enzymes lacks a high degree of binding discrimination between UV-damaged and intact duplex DNA. We solved crystal structures of Mm0852, the first one for a class II photolyase, alone and in complex with CPD lesion-containing duplex DNA. The lesion-binding mode differs from other photolyases by a larger DNA-binding site, and an unrepaired CPD lesion is found flipped into the active site and recognized by a cluster of five water molecules next to the bound 3'-thymine base. Different from other members of the photolyase-cryptochrome family, class II photolyases appear to utilize an unusual, conserved tryptophane dyad as electron transfer pathway to the catalytic FAD cofactor. PMID:21892138

  15. Combined QM/MM investigation on the light-driven electron-induced repair of the (6-4) thymine dimer catalyzed by DNA photolyase.

    PubMed

    Faraji, Shirin; Groenhof, Gerrit; Dreuw, Andreas

    2013-09-01

    The (6-4) photolyases are blue-light-activated enzymes that selectively bind to DNA and initiate splitting of mutagenic thymine (6-4) thymine photoproducts (T(6-4)T-PP) via photoinduced electron transfer from flavin adenine dinucleotide anion (FADH(-)) to the lesion triggering repair. In the present work, the repair mechanism after the initial electron transfer and the effect of the protein/DNA environment are investigated theoretically by means of hybrid quantum mechanical/molecular mechanical (QM/MM) simulations using X-ray structure of the enzyme-DNA complex. By comparison of three previously proposed repair mechanisms, we found that the lowest activation free energy is required for the pathway in which the key step governing the repair photocycle is electron transfer coupled with the proton transfer from the protonated histidine, His365, to the N3' nitrogen of the pyrimidone thymine. The transfer simultaneously occurs with concerted intramolecular OH transfer without formation of an oxetane or isolated water molecule intermediate. In contrast to previously suggested mechanisms, this newly identified pathway requires neither a subsequent two-photon process nor electronic excitation of the photolesion. PMID:23915283

  16. The second chromophore in Drosophila photolyase/cryptochrome family photoreceptors.

    PubMed

    Selby, Christopher P; Sancar, Aziz

    2012-01-10

    The photolyase/cryptochrome family of proteins are FAD-containing flavoproteins which carry out blue-light-dependent functions including DNA repair, plant growth and development, and regulation of the circadian clock. In addition to FAD, many members of the family contain a second chromophore which functions as a photo-antenna, harvesting light and transferring the excitation energy to FAD and thus increasing the efficiency of the system. The second chromophore is methenyltetrahydrofolate (MTHF) in most photolyases characterized to date and FAD, FMN, or 5-deazariboflavin in others. To date, no second chromophore has been identified in cryptochromes. Drosophila contains three members of the cryptochrome/photolyase family: cyclobutane pyrimidine dimer (CPD) photolyase, (6-4) photoproduct photolyase, and cryptochrome. We developed an expression system capable of incorporating all known second chromophores into the cognate cryptochrome/photolyase family members. Using this system, we demonstrate that Drosophila CPD photolyase and (6-4) photolyase employ 5-deazariboflavin as their second chromophore, but Drosophila cryptochrome, which is evolutionarily closer to (6-4) photolyase than the CPD photolyase, lacks a second chromophore. PMID:22175817

  17. Purification, cDNA cloning, and expression profiles of the cyclobutane pyrimidine dimer photolyase of Xenopus laevis.

    PubMed

    Tanida, Hiroaki; Tahara, Eiji; Mochizuki, Miwa; Yamane, Yukiko; Ryoji, Masaru

    2005-12-01

    Photolyase is a light-dependent enzyme that repairs pyrimidine dimers in DNA. Two types of photolyases have been found in frog Xenopus laevis, one for repairing cyclobutane pyrimidine dimers (CPD photolyase) and the other for pyrimidine-pyrimidone (6-4)photoproduct [(6-4)photolyase]. However, little is known about the former type of the Xenopus photolyases. To characterize this enzyme and its expression profiles, we isolated the entire coding region of a putative CPD photolyase cDNA by extending an EST (expressed sequence tag) sequence obtained from the Xenopus database. Nucleotide sequence analysis of the cDNA revealed a protein of 557 amino acids with close similarity to CPD photolyase of rat kangaroo. The identity of this cDNA was further established by the molecular mass (65 kDa) and the partial amino acid sequences of the major CPD photolyase that we purified from Xenopus ovaries. The gene of this enzyme is expressed in various tissues of Xenopus. Even internal organs like heart express relatively high levels of mRNA. A much smaller amount was found in skin, although UV damage is thought to occur most frequently in this tissue. Such expression profiles suggest that CPD photolyase may have roles in addition to the photorepair function. PMID:16302973

  18. Neutral histidine and photoinduced electron transfer in DNA photolyases.

    PubMed

    Domratcheva, Tatiana

    2011-11-16

    The two major UV-induced DNA lesions, the cyclobutane pyrimidine dimers (CPD) and (6-4) pyrimidine-pyrimidone photoproducts, can be repaired by the light-activated enzymes CPD and (6-4) photolyases, respectively. It is a long-standing question how the two classes of photolyases with alike molecular structure are capable of reversing the two chemically different DNA photoproducts. In both photolyases the repair reaction is initiated by photoinduced electron transfer from the hydroquinone-anion part of the flavin adenine dinucleotide (FADH(-)) cofactor to the photoproduct. Here, the state-of-the-art XMCQDPT2-CASSCF approach was employed to compute the excitation spectra of the respective active site models. It is found that protonation of His365 in the presence of the hydroquinone-anion electron donor causes spontaneous, as opposed to photoinduced, coupled proton and electron transfer to the (6-4) photoproduct. The resulting neutralized biradical, containing the neutral semiquinone and the N3'-protonated (6-4) photoproduct neutral radical, corresponds to the lowest energy electronic ground-state minimum. The high electron affinity of the N3'-protonated (6-4) photoproduct underlines this finding. Thus, it is anticipated that the (6-4) photoproduct repair is assisted by His365 in its neutral form, which is in contrast to the repair mechanisms proposed in the literature. The repair via hydroxyl group transfer assisted by neutral His365 is considered. The repair involves the 5'base radical anion of the (6-4) photoproduct which in terms of electronic structure is similar to the CPD radical anion. A unified model of the CPD and (6-4) photoproduct repair is proposed. PMID:21970417

  19. White collar 1-induced photolyase expression contributes to UV-tolerance of Ustilago maydis.

    PubMed

    Brych, Annika; Mascarenhas, Judita; Jaeger, Elaine; Charkiewicz, Elzbieta; Pokorny, Richard; Bölker, Michael; Doehlemann, Gunther; Batschauer, Alfred

    2016-04-01

    Ustilago maydis is a phytopathogenic fungus causing corn smut disease. It also is known for its extreme tolerance to UV- and ionizing radiation. It has not been elucidated whether light-sensing proteins, and in particular photolyases play a role in its UV-tolerance. Based on homology analysis, U. maydis has 10 genes encoding putative light-responsive proteins. Four amongst these belong to the cryptochrome/photolyase family (CPF) and one represents a white collar 1 ortholog (wco1). Deletion mutants in the predicted cyclobutane pyrimidine dimer CPD- and (6-4)-photolyase were impaired in photoreactivation. In line with this, in vitro studies with recombinant CPF proteins demonstrated binding of the catalytic FAD cofactor, its photoreduction to fully reduced FADH(-) and repair activity for cyclobutane pyrimidine dimers (CPDs) or (6-4)-photoproducts, respectively. We also investigated the role of Wco1. Strikingly, transcriptional profiling showed 61 genes differentially expressed upon blue light exposure of wild-type, but only eight genes in the Δwco1 mutant. These results demonstrate that Wco1 is a functional blue light photoreceptor in U. maydis regulating expression of several genes including both photolyases. Finally, we show that the Δwco1 mutant is less tolerant against UV-B due to its incapability to induce photolyase expression. PMID:26687452

  20. Cloning and characterization of a gene (UVR3) required for photorepair of 6-4 photoproducts in Arabidopsis thaliana.

    PubMed Central

    Nakajima, S; Sugiyama, M; Iwai, S; Hitomi, K; Otoshi, E; Kim, S T; Jiang, C Z; Todo, T; Britt, A B; Yamamoto, K

    1998-01-01

    UV radiation induces two major classes of pyrimidine dimers: the pyrimidine [6-4] pyrimidone photoproduct (6-4 product) and the cyclobutane pyrimidine dimer (CPD). Many organisms produce enzymes, termed photolyases, that specifically bind to these damage products and split them via a UV-A/blue light-dependent mechanism, thereby reversing the damage. These photolyases are specific for either CPDs or 6-4 products. A gene that expresses a protein with 6-4 photolyase activity in vitro was recently cloned from Drosophila melanogaster and Xenopus laevis. We report here the isolation of a homolog of this gene, cloned on the basis of sequence similarity, from the higher plant Arabidopsis thaliana. This cloned gene produces a protein with 6-4 photolyase activity when expressed in Escherichia coli. We also find that a previously described mutant of Arabidopsis (uvr3) that is defective in photoreactivation of 6-4 products carries a nonsense mutation in this 6-4 photolyase homolog. We have therefore termed this gene UVR3. Although homologs of this gene have previously been shown to produce a functional 6-4 photolyase when expressed in heterologous systems, this is the first demonstration of a requirement for this gene for photoreactivation of 6-4 products in vivo. PMID:9421527

  1. Electronic structure of (6-4) DNA photoproduct repair involving a non-oxetane pathway.

    PubMed

    Domratcheva, Tatiana; Schlichting, Ilme

    2009-12-16

    Mutagenic pyrimidine-pyrimidone (6-4) photoproducts are one of the main DNA lesions induced by solar UV radiation. These lesions can be photoreversed by (6-4) photolyases. The originally published repair mechanism involves rearrangement of the lesion into an oxetane intermediate upon binding to the (6-4) photolyase, followed by light-induced electron transfer from the reduced flavin cofactor. In a recent crystallographic study on a (6-4) photoproduct complexed with (6-4) photolyase from Drosophila melanogaster no oxetane was observed, raising the possibility of a non-oxetane repair mechanism. Using quantum-chemical calculations we find that in addition to repair via an oxetane, a direct transfer of the hydroxyl group results in reversal of the radical anion (6-4) photoproduct. In both mechanisms, the transition states have high energies and correspond to avoided crossings of the ground and excited electronic states. To study whether the repair can proceed via these state crossings, the excited-state potential energy curves were computed. The radical excitation energies and accessibility of the nonadiabatic repair path were found to depend on hydrogen bonds and the protonation state of the lesion. On the basis of the energy calculations, a nonadiabatic repair of the excited (6-4) lesion radical anion via hydroxyl transfer is probable. This repair mechanism is in line with the recent structural data on the (6-4) photolyase from D. melanogaster . PMID:19921821

  2. The native cyclobutane pyrimidine dimer photolyase of rice is phosphorylated.

    PubMed

    Teranishi, Mika; Nakamura, Kentaro; Morioka, Hiroshi; Yamamoto, Kazuo; Hidema, Jun

    2008-04-01

    The cyclobutane pyrimidine dimer (CPD) is a major type of DNA damage induced by ultraviolet B (UVB) radiation. CPD photolyase, which absorbs blue/UVA light as an energy source to monomerize dimers, is a crucial factor for determining the sensitivity of rice (Oryza sativa) to UVB radiation. Here, we purified native class II CPD photolyase from rice leaves. As the final purification step, CPD photolyase was bound to CPD-containing DNA conjugated to magnetic beads and then released by blue-light irradiation. The final purified fraction contained 54- and 56-kD proteins, whereas rice CPD photolyase expressed from Escherichia coli was a single 55-kD protein. Western-blot analysis using anti-rice CPD photolyase antiserum suggested that both the 54- and 56-kD proteins were the CPD photolyase. Treatment with protein phosphatase revealed that the 56-kD native rice CPD photolyase was phosphorylated, whereas the E. coli-expressed rice CPD photolyase was not. The purified native rice CPD photolyase also had significantly higher CPD photorepair activity than the E. coli-expressed CPD photolyase. According to the absorption, emission, and excitation spectra, the purified native rice CPD photolyase possesses both a pterin-like chromophore and an FAD chromophore. The binding activity of the native rice CPD photolyase to thymine dimers was higher than that of the E. coli-expressed CPD photolyase. These results suggest that the structure of the native rice CPD photolyase differs significantly from that of the E. coli-expressed rice CPD photolyase, and the structural modification of the native CPD photolyase leads to higher activity in rice. PMID:18235036

  3. Crystal structures of ethyl 6-(4-methyl-phen-yl)-4-oxo-4H-chromene-2-carboxyl-ate and ethyl 6-(4-fluoro-phen-yl)-4-oxo-4H-chromene-2-carboxyl-ate.

    PubMed

    Gomes, Ligia R; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda

    2016-01-01

    The crystal structures of two chromone derivatives, viz. ethyl 6-(4-methyl-phen-yl)-4-oxo-4H-chromene-2-carboxyl-ate, C19H16O4, (1), and ethyl 6-(4-fluoro-phen-yl)-4-oxo-4H-chromene-2-carboxyl-ate C18H13FO4, (2), have been determined: (1) crystallizes with two mol-ecules in the asymmetric unit. A comparison of the dihedral angles beween the mean planes of the central chromone core with those of the substituents, an ethyl ester moiety at the 2-position and a para-substituted phenyl ring at the 6-position shows that each mol-ecule differs significantly from the others, even the two independent mol-ecules (a and b) of (1). In all three mol-ecules, the carbonyl groups of the chromone and the carboxyl-ate are trans-related. The supra-molecular structure of (1) involves only weak C-H⋯π inter-actions between H atoms of the substituent phenyl group and the phenyl group, which link mol-ecules into a chain of alternating mol-ecules a and b, and weak π-π stacking inter-actions between the chromone units. The packing in (2) involves C-H⋯O inter-actions, which form a network of two inter-secting ladders involving the carbonyl atom of the carboxyl-ate group as the acceptor for H atoms at the 7-position of the chromone ring and from an ortho-H atom of the exocyclic benzene ring. The carbonyl atom of the chromone acts as an acceptor from a meta-H atom of the exocyclic benzene ring. π-π inter-actions stack the mol-ecules by unit translation along the a axis. PMID:26870574

  4. The Class III Cyclobutane Pyrimidine Dimer Photolyase Structure Reveals a New Antenna Chromophore Binding Site and Alternative Photoreduction Pathways*

    PubMed Central

    Scheerer, Patrick; Zhang, Fan; Kalms, Jacqueline; von Stetten, David; Krauß, Norbert; Oberpichler, Inga; Lamparter, Tilman

    2015-01-01

    Photolyases are proteins with an FAD chromophore that repair UV-induced pyrimidine dimers on the DNA in a light-dependent manner. The cyclobutane pyrimidine dimer class III photolyases are structurally unknown but closely related to plant cryptochromes, which serve as blue-light photoreceptors. Here we present the crystal structure of a class III photolyase termed photolyase-related protein A (PhrA) of Agrobacterium tumefaciens at 1.67-Å resolution. PhrA contains 5,10-methenyltetrahydrofolate (MTHF) as an antenna chromophore with a unique binding site and mode. Two Trp residues play pivotal roles for stabilizing MTHF by a double π-stacking sandwich. Plant cryptochrome I forms a pocket at the same site that could accommodate MTHF or a similar molecule. The PhrA structure and mutant studies showed that electrons flow during FAD photoreduction proceeds via two Trp triads. The structural studies on PhrA give a clearer picture on the evolutionary transition from photolyase to photoreceptor. PMID:25784552

  5. Electrically monitoring DNA repair by photolyase

    NASA Astrophysics Data System (ADS)

    DeRosa, Maria C.; Sancar, Aziz; Barton, Jacqueline K.

    2005-08-01

    Cyclobutane pyrimidine dimers are the major DNA photoproducts produced upon exposure to UV radiation. If left unrepaired, these lesions can lead to replication errors, mutation, and cell death. Photolyase is a light-activated flavoenzyme that binds to pyrimidine dimers in DNA and repairs them in a reaction triggered by electron transfer from the photoexcited flavin cofactor to the dimer. Using gold electrodes modified with DNA duplexes containing a cyclobutane thymine dimer (T<>T), here we probe the electrochemistry of the flavin cofactor in Escherichia coli photolyase. Cyclic and square-wave voltammograms of photolyase deposited on these electrodes show a redox signal at 40 mV versus normal hydrogen electrode, consistent with electron transfer to and from the flavin in the DNA-bound protein. This signal is dramatically attenuated on surfaces where the π-stacking of the DNA bases is perturbed by the presence of an abasic site below the T<>T, an indication that the redox pathway is DNA-mediated. DNA repair can, moreover, be monitored electrically. Exposure of photolyase on T<>T-damaged DNA films to near-UV/blue light leads to changes in the flavin signal consistent with repair, as confirmed by parallel HPLC experiments. These results demonstrate the exquisite sensitivity of DNA electrochemistry to perturbations in base pair stacking and the applicability of this chemistry to probe reactions of proteins with DNA. Author contributions: M.C.D. and J.K.B. designed research; M.C.D. performed research; A.S. contributed new reagents/analytic tools; M.C.D. analyzed data; and M.C.D. and J.K.B. wrote the paper.This paper was submitted directly (Track II) to the PNAS office.Abbreviations: T<>T, thymine dimer; CT, charge transport.

  6. Electron Transfer Mechanisms of DNA Repair by Photolyase

    NASA Astrophysics Data System (ADS)

    Zhong, Dongping

    2015-04-01

    Photolyase is a flavin photoenzyme that repairs two DNA base damage products induced by ultraviolet (UV) light: cyclobutane pyrimidine dimers and 6-4 photoproducts. With femtosecond spectroscopy and site-directed mutagenesis, investigators have recently made significant advances in our understanding of UV-damaged DNA repair, and the entire enzymatic dynamics can now be mapped out in real time. For dimer repair, six elementary steps have been characterized, including three electron transfer reactions and two bond-breaking processes, and their reaction times have been determined. A unique electron-tunneling pathway was identified, and the critical residues in modulating the repair function at the active site were determined. The dynamic synergy between the elementary reactions for maintaining high repair efficiency was elucidated, and the biological nature of the flavin active state was uncovered. For 6-4 photoproduct repair, a proton-coupled electron transfer repair mechanism has been revealed. The elucidation of electron transfer mechanisms and two repair photocycles is significant and provides a molecular basis for future practical applications, such as in rational drug design for curing skin cancer.

  7. Human white blood cells contain cyclobutyl pyrimidine dimer photolyase

    SciTech Connect

    Sutherland, B.M.; Bennett, P.V.

    1995-10-10

    Although enzymatic photoreactivation of cyclobutyl pyrimidine dimers in DNA is present in almost all organisms, its presence in placental mammals is controversial. We tested human white blood cells for photolyase by using three defined DNAs (suprecoiled pET-2, nonsupercoiled bacteriphage {lambda}, and a defined-sequence 287-bp oligonucleotide), two dimer-specific endonucleases (T4 endonuclease V and UV endonuclease from Micrococcus luteus), and three assay methods. We show that human white blood cells contain photolyase that can photorepair pyrimidine dimers in defined supercoiled and linear DNAs and in a 287-bp oligonucleotide and that human photolyase is active on genomic DNA in intact human cells. 44 refs., 3 figs.

  8. Evolutionary History of the Photolyase/Cryptochrome Superfamily in Eukaryotes

    PubMed Central

    Mei, Qiming; Dvornyk, Volodymyr

    2015-01-01

    Background Photolyases and cryptochromes are evolutionarily related flavoproteins, which however perform distinct physiological functions. Photolyases (PHR) are evolutionarily ancient enzymes. They are activated by light and repair DNA damage caused by UV radiation. Although cryptochromes share structural similarity with DNA photolyases, they lack DNA repair activity. Cryptochrome (CRY) is one of the key elements of the circadian system in animals. In plants, CRY acts as a blue light receptor to entrain circadian rhythms, and mediates a variety of light responses, such as the regulation of flowering and seedling growth. Results We performed a comprehensive evolutionary analysis of the CRY/PHR superfamily. The superfamily consists of 7 major subfamilies: CPD class I and CPD class II photolyases, (6–4) photolyases, CRY-DASH, plant PHR2, plant CRY and animal CRY. Although the whole superfamily evolved primarily under strong purifying selection (average ω = 0.0168), some subfamilies did experience strong episodic positive selection during their evolution. Photolyases were lost in higher animals that suggests natural selection apparently became weaker in the late stage of evolutionary history. The evolutionary time estimates suggested that plant and animal CRYs evolved in the Neoproterozoic Era (~1000–541 Mya), which might be a result of adaptation to the major climate and global light regime changes occurred in that period of the Earth’s geological history. PMID:26352435

  9. A new mineral species ferricoronadite, Pb[Mn6 4+(Fe3+, Mn3+)2]O16: mineralogical characterization, crystal chemistry and physical properties

    NASA Astrophysics Data System (ADS)

    Chukanov, Nikita V.; Aksenov, Sergey M.; Jančev, Simeon; Pekov, Igor V.; Göttlicher, Jörg; Polekhovsky, Yury S.; Rusakov, Vyacheslav S.; Nelyubina, Yuliya V.; Van, Konstantin V.

    2016-04-01

    A new mineral ferricoronadite with the simplified formula Pb(Mn6 4+Fe2 3+)O16 was discovered in the orogenetic zone related to the "Mixed Series" metamorphic complex near the Nežilovo village, Pelagonian massif, Republic of Macedonia. Associated minerals are franklinite, gahnite, hetaerolite, roméite, almeidaite, Mn-analogue of plumboferrite, zincohögbomite analogue with Fe3+ > Al, zincochromite, Zn-bearing talc, Zn-bearing muscovite, baryte, quartz and zircon. Ferricoronadite is a late hydrothermal mineral forming veinlets up to 8 mm thick in granular aggregate predominantly composed by zinc-dominant spinels. The new mineral is opaque, black, with brownish black streak. The luster is strong submetallic to metallic. The micro-indentation hardness is 819 kg/mm2. Distinct cleavage is observed on (100). Ferricoronadite is brittle, with uneven fracture. The density calculated from the empirical formula is 5.538 g/cm3. In reflected light, ferricoronadite is light gray. The reflectance values [R max/R min, % (λ, nm)] are: 28.7/27.8 (470), 27.6/26.6 (546), 27.2/26.1 (589), 26.5/25.5 (650). The IR spectrum shows the absence of H2O and OH groups. According to the Mössbauer spectrum, all iron is trivalent. The Mn K-edge XANES spectroscopy shows that Mn is predominantly tetravalent, with subordinate Mn3+. The chemical composition is (wt%; electron microprobe, Mn apportioned between MnO2 and Mn2O3 based on the charge-balance requirement): BaO 5.16, PbO 24.50, ZnO 0.33, Al2O3 0.50, Mn2O3 9.90, Fe2O3 11.45, TiO2 4.19, MnO2 44.81, total 100.84. The empirical formula based on 8 cations Mn + Fe + Ti + Al + Zn pfu is Pb1.03Ba0.32(Mn{4.85/4+}Fe{1.35/3+}Mn{1.18/3+}Ti0.49Al0.09Zn0.04)Σ8.00O16. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is tetragonal, space group I4/m, a = 9.9043(7), c = 2.8986(9) Å, V = 284.34(9) Å3, Z = 1. In ferricoronadite, double chains of edge-sharing (Mn, Fe, Ti)-centered octahedra are connected via

  10. A new mineral species ferricoronadite, Pb[Mn6 4+(Fe3+, Mn3+)2]O16: mineralogical characterization, crystal chemistry and physical properties

    NASA Astrophysics Data System (ADS)

    Chukanov, Nikita V.; Aksenov, Sergey M.; Jančev, Simeon; Pekov, Igor V.; Göttlicher, Jörg; Polekhovsky, Yury S.; Rusakov, Vyacheslav S.; Nelyubina, Yuliya V.; Van, Konstantin V.

    2016-07-01

    A new mineral ferricoronadite with the simplified formula Pb(Mn6 4+Fe2 3+)O16 was discovered in the orogenetic zone related to the "Mixed Series" metamorphic complex near the Nežilovo village, Pelagonian massif, Republic of Macedonia. Associated minerals are franklinite, gahnite, hetaerolite, roméite, almeidaite, Mn-analogue of plumboferrite, zincohögbomite analogue with Fe3+ > Al, zincochromite, Zn-bearing talc, Zn-bearing muscovite, baryte, quartz and zircon. Ferricoronadite is a late hydrothermal mineral forming veinlets up to 8 mm thick in granular aggregate predominantly composed by zinc-dominant spinels. The new mineral is opaque, black, with brownish black streak. The luster is strong submetallic to metallic. The micro-indentation hardness is 819 kg/mm2. Distinct cleavage is observed on (100). Ferricoronadite is brittle, with uneven fracture. The density calculated from the empirical formula is 5.538 g/cm3. In reflected light, ferricoronadite is light gray. The reflectance values [ R max/ R min, % ( λ, nm)] are: 28.7/27.8 (470), 27.6/26.6 (546), 27.2/26.1 (589), 26.5/25.5 (650). The IR spectrum shows the absence of H2O and OH groups. According to the Mössbauer spectrum, all iron is trivalent. The Mn K-edge XANES spectroscopy shows that Mn is predominantly tetravalent, with subordinate Mn3+. The chemical composition is (wt%; electron microprobe, Mn apportioned between MnO2 and Mn2O3 based on the charge-balance requirement): BaO 5.16, PbO 24.50, ZnO 0.33, Al2O3 0.50, Mn2O3 9.90, Fe2O3 11.45, TiO2 4.19, MnO2 44.81, total 100.84. The empirical formula based on 8 cations Mn + Fe + Ti + Al + Zn pfu is Pb1.03Ba0.32(Mn 4.85 4+ Fe 1.35 3+ Mn 1.18 3+ Ti0.49Al0.09Zn0.04)Σ8.00O16. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is tetragonal, space group I4/ m, a = 9.9043(7), c = 2.8986(9) Å, V = 284.34(9) Å3, Z = 1. In ferricoronadite, double chains of edge-sharing (Mn, Fe, Ti)-centered octahedra are connected

  11. Dynamics and mechanisms of DNA repair by photolyase

    PubMed Central

    Liu, Zheyun; Wang, Lijuan; Zhong, Dongping

    2015-01-01

    Photolyase, a class of flavoproteins, uses blue light to repair two types of ultraviolet-induced DNA damage, cyclobutane pyrimidine dimer (CPD) and pyrimidine-pyrimidone (6–4) photoproduct (6–4PP). In this perspective, we review the recent progress on the repair dynamics and mechanisms of both types of DNA restoration by photolyases. We first report the spectroscopic characterization of flavin in various redox states and the active-site solvation dynamics in photolyases. We then systematically summarize the detailed repair dynamics of damaged DNA by photolyases and a biomimetic system through resolving all elementary steps on the ultrafast timescales, including multiple intermolecular electron- and proton-transfer reactions and bond-breaking and -making processes. We determined the unique electron tunneling pathways, identified the key functional residues and revealed the molecular origin of high repair efficiency, and thus elucidate the molecular mechanisms and repair photocycles at the most fundamental level. We finally conclude that the active sites of photolyases, unlike aqueous solution for the biomimetic system, provide a unique electrostatic environment and local flexibility and thus a dedicated synergy for all elementary dynamics to maximize the repair efficiency. This repair photomachine is the first enzyme that the entire functional evolution is completely mapped out in real time. PMID:25870862

  12. Molecular Understanding of Efficient DNA Repair Machinery of Photolyase

    NASA Astrophysics Data System (ADS)

    Tan, Chuang; Liu, Zheyun; Li, Jiang; Guo, Xunmin; Wang, Lijuan; Zhong, Dongping

    2012-06-01

    Photolyases repair the UV-induced pyrimidine dimers in damage DNA with high efficiency, through a cylic light-driven electron transfer radical mechanism. We report here our systematic studies of the repair dynamics in E. coli photolyase with mutation of five active-site residues. The significant loss of repair efficiency by the mutation indicates that those active-site residues play an important role in the DNA repair by photolyase. To understand how the active-site residues modulate the efficiency, we mapped out the entire evolution of each elementary step during the repair in those photolyase mutants with femtosecond resolution. We completely analyzed the electron transfer dynamics using the Sumi-Marcus model. The results suggest that photolyase controls the critical electron transfer and the ring-splitting of pyrimidine dimer through modulation of the redox potentials and reorganization energies, and stabilization of the anionic intermediates, maintaining the dedicated balance of all the reaction steps and achieving the maximum function activity.

  13. Induction of photolyase activity in wood frog (Rana sylvatica) embryos.

    PubMed

    Smith, M A; Kapron, C M; Berrill, M

    2000-10-01

    Rising ultraviolet-B (UVB, 280-320 nm) radiation has been proposed as a factor which may explain nonnormal amphibian population declines. Accordingly research has been directed toward estimating the photolyase activity of several amphibian species in order to predict a species' resilience to UV damage. Unfortunately, in spite of published research which demonstrated that the activity of one of the principal photorepair enzymes, photolyase, can be induced, these estimates did not address the potential for in vivo induction by environmental factors present in situ. We show here that wood frog (Rana sylvatica) embryos exposed to periods of ambient solar radiation (1) displayed significantly different photolyase activities from embryos exposed to equivalent periods of dark; and (2) were positively correlated with the UVB fluence received in vivo. Such results suggest that previous conclusions regarding the relationship between photorepair and population decline must be reevaluated. Estimating amphibian photorepair is a complicated process, and caution must be exercised when interpreting such data. PMID:11045732

  14. Greenish-blue fluorescence of 6-(4-aminophenyl)-4-(4-methoxyphenyl)-2-methoxynicotinonitrile: Synthesis, spectroscopy, crystal structure, and fluorescence property

    NASA Astrophysics Data System (ADS)

    Suwunwong, T.; Chantrapromma, S.; Fun, H.-K.

    2015-12-01

    The title compound, C20H17N3O2, was synthesized by the cyclization of a chalcone derivative with malononitrile, and was characterized by 1H NMR and FT-IR spectroscopy techniques. The crystal structure was determined by single crystal X-ray structure determination. In the crystal packing, the molecules are linked by N-H···N hydrogen bonds forming a two dimensional network parallel to the (1 0-2) plane. The crystal structure is further stabilized by weak C-H···π interactions. The compound exhibits greenish-blue fluorescence in acetonitrile with an emission wavelength at 476 nm when was excited at 365 nm.

  15. MD studies on conformational behavior of a DNA photolyase enzyme

    NASA Astrophysics Data System (ADS)

    Dushanov, E.; Kholmurodov, Kh.; Yasuoka, K.; Krasavin, E.

    2013-11-01

    In this work, molecular dynamics (MD) simulations were performed on a DNA photolyase protein with two cofactors, FAD (flavin adenine dinucleotide) and MTHF (methenyltetrahydrofolate), inside the enzyme pocket. A DNA photolyase is a highly efficient light-driven enzyme that repairs the UV-induced cyclobutane-pyrimidine dimer in damaged DNA. We were aimed to compare the conformational changes of the FAD cofactor and other constituent fragments of the molecular system under consideration. The conformational behavior of the FAD molecule is very important for understanding the functional and structural properties of the DNA repair protein photolyase. The photoactive FAD is an essential cofactor both for specificial binding to damaged DNA and for catalysis. The second chromophore (MTHF or 8-HDF) is not necessary for catalysis and has no effect on specific enzyme—substrate binding. The obtained results were discussed to gain insight into the light-driven mechanism of DNA repair by a DNA photolyase enzyme—based on the enzyme structure, the FAD mobility, and conformation shape.

  16. Crystal structures of ethyl 6-(4-methyl­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate and ethyl 6-(4-fluoro­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate

    PubMed Central

    Gomes, Ligia R.; Low, John Nicolson; Fernandes, Carlos; Gaspar, Alexandra; Borges, Fernanda

    2016-01-01

    The crystal structures of two chromone derivatives, viz. ethyl 6-(4-methyl­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate, C19H16O4, (1), and ethyl 6-(4-fluoro­phen­yl)-4-oxo-4H-chromene-2-carboxyl­ate C18H13FO4, (2), have been determined: (1) crystallizes with two mol­ecules in the asymmetric unit. A comparison of the dihedral angles beween the mean planes of the central chromone core with those of the substituents, an ethyl ester moiety at the 2-position and a para-substituted phenyl ring at the 6-position shows that each mol­ecule differs significantly from the others, even the two independent mol­ecules (a and b) of (1). In all three mol­ecules, the carbonyl groups of the chromone and the carboxyl­ate are trans-related. The supra­molecular structure of (1) involves only weak C—H⋯π inter­actions between H atoms of the substituent phenyl group and the phenyl group, which link mol­ecules into a chain of alternating mol­ecules a and b, and weak π–π stacking inter­actions between the chromone units. The packing in (2) involves C—H⋯O inter­actions, which form a network of two inter­secting ladders involving the carbonyl atom of the carboxyl­ate group as the acceptor for H atoms at the 7-position of the chromone ring and from an ortho-H atom of the exocyclic benzene ring. The carbonyl atom of the chromone acts as an acceptor from a meta-H atom of the exocyclic benzene ring. π–π inter­actions stack the mol­ecules by unit translation along the a axis. PMID:26870574

  17. Cloning, sequencing, expression and characterization of DNA photolyase from Salmonella typhimurium.

    PubMed Central

    Li, Y F; Sancar, A

    1991-01-01

    We have cloned the phr gene that encodes DNA photolyase from Salmonella typhimurium by in vivo complementation of Escherichia coli phr gene defect. The S.typhimurium phr gene is 1419 base pairs long and the deduced amino acid sequence has 80% identity with that of E. coli photolyase. We expressed the S.typhimurium phr gene in E.coli by ligating the E.coli trc promoter 5' to the gene, and purified the enzyme to near homogeneity. The apparent molecular weight of S.typhimurium photolyase is 54,000 dalton as determined by SDS-polyacrylamide gel electrophoresis, which is consistent with the calculated molecular weight of 53,932 dalton from the deduced phr gene product. S.typhimurium photolyase is purple-blue in color with near UV-visible absorption peaks at 384, 480, 580, and 625 nm and a fluorescence peak at 470 nm. From the characteristic absorption and fluorescence spectra and reconstitution experiments, S.typhimurium photolyase appears to contain flavin and methenyltetrahydrofolate as chromophore-cofactors as do the E.coli and yeast photolyases. Thus, S.typhimurium protein is the third folate class photolyase to be cloned and characterized to date. The binding constant of S.typhimurium photolyase to thymine dimer in DNA is kD = 1.6 x 10(-9) M, and the quantum yield of photorepair at 384 nm is 0.5. Images PMID:1840665

  18. Coexistence of Different Electron-Transfer Mechanisms in the DNA Repair Process by Photolyase.

    PubMed

    Lee, Wook; Kodali, Goutham; Stanley, Robert J; Matsika, Spiridoula

    2016-08-01

    DNA photolyase has been the topic of extensive studies due to its important role of repairing photodamaged DNA, and its unique feature of using light as an energy source. A crucial step in the repair by DNA photolyase is the forward electron transfer from its cofactor (FADH(-) ) to the damaged DNA, and the detailed mechanism of this process has been controversial. In the present study, we examine the forward electron transfer in DNA photolyase by carrying out high-level ab initio calculations in combination with a quantum mechanical/molecular mechanical (QM/MM) approach, and by measuring fluorescence emission spectra at low temperature. On the basis of these computational and experimental results, we demonstrate that multiple decay pathways exist in DNA photolyase depending on the wavelength at excitation and the subsequent transition. This implies that the forward electron transfer in DNA photolyase occurs not only by superexchange mechanism but also by sequential electron transfer. PMID:27362906

  19. Tandem arrangement of photolyase and superoxide dismutase genes in Halobacterium halobium.

    PubMed Central

    Takao, M; Kobayashi, T; Oikawa, A; Yasui, A

    1989-01-01

    A DNA fragment containing the photolyase gene was cloned from Halobacterium halobium. The deduced amino acid sequence is highly similar to those of four known photolyases from eubacteria and a eucaryote. The cloned gene expressed in Escherichia coli cells the survival of UV-irradiated host cells by photoreactivation. These results indicate that photolyases of eucaryotes, eubacteria, and archaebacteria are derived from a common origin. In this cloned DNA fragment, two additional open reading frames (ORFs), ORF 151 and ORF 200, were found in the 5' and 3' adjacent flanking regions of the photolyase gene. ORF 200 shows unequivocal amino acid sequence homology to all known manganese and iron superoxide dismutases. Northern (RNA) hybridization analysis of H. halobium RNA revealed the existence of three transcripts, one of which covered all three ORFs, indicating that photolyase and superoxide dismutase are partly cotranscribed in this bacterium. Images PMID:2681164

  20. Enzyme-Substrate Binding Kinetics Indicate That Photolyase Recognizes an Extrahelical Cyclobutane Thymidine Dimer.

    PubMed

    Schelvis, Johannes P M; Zhu, Xuling; Gindt, Yvonne M

    2015-10-13

    Escherichia coli DNA photolyase is a DNA-repair enzyme that repairs cyclobutane pyrimidine dimers (CPDs) that are formed on DNA upon exposure of cells to ultraviolet light. The light-driven electron-transfer mechanism by which photolyase catalyzes the CPD monomerization after the enzyme-substrate complex has formed has been studied extensively. However, much less is understood about how photolyase recognizes CPDs on DNA. It has been clearly established that photolyase, like many other DNA-repair proteins, requires flipping of the CPD site into an extrahelical position. Photolyase is unique in that it requires the two dimerized pyrimidine bases to flip rather than just a single damaged base. In this paper, we perform direct measurements of photolyase binding to CPD-containing undecamer DNA that has been labeled with a fluorophore. We find that the association constant of ∼2 × 10(6) M(-1) is independent of the location of the CPD on the undecamer DNA. The binding kinetics of photolyase are best described by two rate constants. The slower rate constant is ∼10(4) M(-1) s(-1) and is most likely due to steric interference of the fluorophore during the binding process. The faster rate constant is on the order of 2.5 × 10(5) M(-1) s(-1) and reflects the binding of photolyase to the CPD on the DNA. This result indicates that photolyase finds and binds to a CPD lesion 100-4000 times slower than other DNA-repair proteins. In light of the existing literature, we propose a mechanism in which photolyase recognizes a CPD that is flipped into an extrahelical position via a three-dimensional search. PMID:26393415

  1. A pseudo-tetragonal tungsten bronze superstructure: a combined solution of the crystal structure of K6.4(Nb,Ta)(36.3)O94 with advanced transmission electron microscopy and neutron diffraction.

    PubMed

    Paria Sena, Robert; Babaryk, Artem A; Khainakov, Sergiy; Garcia-Granda, Santiago; Slobodyanik, Nikolay S; Van Tendeloo, Gustaaf; Abakumov, Artem M; Hadermann, Joke

    2016-01-21

    The crystal structure of the K6.4Nb28.2Ta8.1O94 pseudo-tetragonal tungsten bronze-type oxide was determined using a combination of X-ray powder diffraction, neutron diffraction and transmission electron microscopy techniques, including electron diffraction, high angle annular dark field scanning transmission electron microscopy (HAADF-STEM), annular bright field STEM (ABF-STEM) and energy-dispersive X-ray compositional mapping (STEM-EDX). The compound crystallizes in the space group Pbam with unit cell parameters a = 37.468(9) Å, b = 12.493(3) Å, c = 3.95333(15) Å. The structure consists of corner sharing (Nb,Ta)O6 octahedra forming trigonal, tetragonal and pentagonal tunnels. All tetragonal tunnels are occupied by K(+) ions, while 1/3 of the pentagonal tunnels are preferentially occupied by Nb(5+)/Ta(5+) and 2/3 are occupied by K(+) in a regular pattern. A fractional substitution of K(+) in the pentagonal tunnels by Nb(5+)/Ta(5+) is suggested by the analysis of the HAADF-STEM images. In contrast to similar structures, such as K2Nb8O21, also parts of the trigonal tunnels are fractionally occupied by K(+) cations. PMID:26646168

  2. Cloning and characterization of a photolyase gene from the cyanobacterium Anacystis nidulans.

    PubMed Central

    Yasui, A; Takao, M; Oikawa, A; Kiener, A; Walsh, C T; Eker, A P

    1988-01-01

    A 2 kb fragment was isolated from an Anacystis nidulans genomic DNA library by hybridization with synthetic oligonucleotide probes derived from the N-terminal amino acid sequence of Anacystis photolyase. This fragment contains a 1452 bp-long open reading frame encoding a polypeptide of 484 amino acids (Mr 54475). Antibodies raised against purified Anacystis photolyase reacted with extracts of cells harboring fused genes between lacZ of Escherichia coli and this gene. A 40.7% similarity was found between the deduced amino acid sequences of Anacystis and E. coli photolyases, notwithstanding the difference in chromophore structure. Images PMID:2837735

  3. Magnetic-field effect on the photoactivation reaction of Escherichia coli DNA photolyase

    PubMed Central

    Henbest, Kevin B.; Maeda, Kiminori; Hore, P. J.; Joshi, Monika; Bacher, Adelbert; Bittl, Robert; Weber, Stefan; Timmel, Christiane R.; Schleicher, Erik

    2008-01-01

    One of the two principal hypotheses put forward to explain the primary magnetoreception event underlying the magnetic compass sense of migratory birds is based on a magnetically sensitive chemical reaction. It has been proposed that a spin-correlated radical pair is produced photochemically in a cryptochrome and that the rates and yields of the subsequent chemical reactions depend on the orientation of the protein in the Earth's magnetic field. The suitability of cryptochrome for this purpose has been argued, in part, by analogy with DNA photolyase, although no effects of applied magnetic fields have yet been reported for any member of the cryptochrome/photolyase family. Here, we demonstrate a magnetic-field effect on the photochemical yield of a flavin–tryptophan radical pair in Escherichia coli photolyase. This result provides a proof of principle that photolyases, and most likely by extension also cryptochromes, have the fundamental properties needed to form the basis of a magnetic compass. PMID:18799743

  4. Molecular characterization of a gene encoding a photolyase from Streptomyces griseus.

    PubMed Central

    Kobayashi, T; Takao, M; Oikawa, A; Yasui, A

    1989-01-01

    By using a synthetic DNA probe derived from an amino acid sequence in the most conserved region of three known photolyases (Escherichia coli, Anacystis nidulans and Saccharomyces cerevisiae), we isolated a DNA fragment containing two long open reading frames (ORFs) from a genomic DNA library of Streptomyces griseus. One ORF encodes a polypeptide of 455 amino acids (Mr 50594), which exhibits substantial similarities with the other three photolyases. Photoreactivation-repair deficient E. coli cells could be converted into photoreactivatable ones by introduction of plasmids harboring this ORF, indicating that this is the photolyase gene of S. griseus. The deduced aa sequence of Streptomyces photolyase was most similar to that of E. coli. The putative DNA binding site as well as cofactor binding regions were proposed. Images PMID:2501760

  5. Crystal structure of (1S,3R,8R,9R)-2,2-di-chloro-3,7,7-tri-methyl-10-methylenetri-cyclo-[6.4.0.0(1,3)]dodecan-9-ol.

    PubMed

    Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed

    2016-08-01

    The title compound, C16H24Cl2O, was synthesized by treating (1S,3R,8S,9R,10S)-2,2-di-chloro-3,7,7,10-tetra-methyl-9,10-ep-oxy-tri-cyclo-[6.4.0.0(1,3)]dodecane with a concentrated solution of hydro-bromic acid. It is built up from three fused rings: a cyclo-heptane ring, a cyclo-hexyl ring bearing alkene and hy-droxy substituents, and a cyclo-propane ring bearing two chlorine atoms. The asymmetric unit contains two mol-ecules linked by an O-H⋯O hydrogen bond. In the crystal, further O-H⋯O hydrogen bonds build up an R 4 (4)(8) cyclic tetra-mer. One of the mol-ecules presents disorder that affects the seven-membered ring. In both mol-ecules, the six-membered rings display a chair conformation, whereas the seven-membered rings display conformations inter-mediate between boat and twist-boat for the non-disordered mol-ecule and either a chair or boat and twist-boat for the disordered mol-ecule owing to the disorder. The absolute configuration for both mol-ecules is 1S,3R,8R,9R and was deduced from the chemical pathway and further confirmed by the X-ray structural analysis. PMID:27536404

  6. A Photolyase-Like Protein from Agrobacterium tumefaciens with an Iron-Sulfur Cluster

    PubMed Central

    Oberpichler, Inga; Pierik, Antonio J.; Wesslowski, Janine; Pokorny, Richard; Rosen, Ran; Vugman, Michal; Zhang, Fan; Neubauer, Olivia; Ron, Eliora Z.; Batschauer, Alfred; Lamparter, Tilman

    2011-01-01

    Photolyases and cryptochromes are evolutionarily related flavoproteins with distinct functions. While photolyases can repair UV-induced DNA lesions in a light-dependent manner, cryptochromes regulate growth, development and the circadian clock in plants and animals. Here we report about two photolyase-related proteins, named PhrA and PhrB, found in the phytopathogen Agrobacterium tumefaciens. PhrA belongs to the class III cyclobutane pyrimidine dimer (CPD) photolyases, the sister class of plant cryptochromes, while PhrB belongs to a new class represented in at least 350 bacterial organisms. Both proteins contain flavin adenine dinucleotide (FAD) as a primary catalytic cofactor, which is photoreduceable by blue light. Spectral analysis of PhrA confirmed the presence of 5,10-methenyltetrahydrofolate (MTHF) as antenna cofactor. PhrB comprises also an additional chromophore, absorbing in the short wavelength region but its spectrum is distinct from known antenna cofactors in other photolyases. Homology modeling suggests that PhrB contains an Fe-S cluster as cofactor which was confirmed by elemental analysis and EPR spectroscopy. According to protein sequence alignments the classical tryptophan photoreduction pathway is present in PhrA but absent in PhrB. Although PhrB is clearly distinguished from other photolyases including PhrA it is, like PhrA, required for in vivo photoreactivation. Moreover, PhrA can repair UV-induced DNA lesions in vitro. Thus, A. tumefaciens contains two photolyase homologs of which PhrB represents the first member of the cryptochrome/photolyase family (CPF) that contains an iron-sulfur cluster. PMID:22066008

  7. Transfection of Human Keratinocytes with Nucleoside-Modified mRNA Encoding CPD-Photolyase to Repair DNA Damage.

    PubMed

    Boros, Gábor; Karikó, Katalin; Muramatsu, Hiromi; Miko, Edit; Emri, Eszter; Hegedűs, Csaba; Emri, Gabriella; Remenyik, Éva

    2016-01-01

    In vitro-synthesized mRNA containing nucleoside modifications has great therapeutical potential to transiently express proteins with physiological importance. One such protein is photolyase which rapidly removes UV-induced DNA damages, but this enzyme is absent in humans. Here, we apply a novel mRNA-based platform to achieve functional nonhuman photolyase production in cultured human keratinocytes. Transfection of nucleoside-modified mRNA encoding photolyase leads to accelerated repair of DNA photolesions in human keratinocytes. PMID:27236802

  8. UV Radiation–Sensitive Norin 1 Rice Contains Defective Cyclobutane Pyrimidine Dimer Photolyase

    PubMed Central

    Hidema, Jun; Kumagai, Tadashi; Sutherland, Betsy M.

    2000-01-01

    Norin 1, a progenitor of many economically important Japanese rice strains, is highly sensitive to the damaging effects of UVB radiation (wavelengths 290 to 320 nm). Norin 1 seedlings are deficient in photorepair of cyclobutane pyrimidine dimers. However, the molecular origin of this deficiency was not known and, because rice photolyase genes have not been cloned and sequenced, could not be determined by examining photolyase structural genes or upstream regulatory elements for mutations. We therefore used a photoflash approach, which showed that the deficiency in photorepair in vivo resulted from a functionally altered photolyase. These results were confirmed by studies with extracts, which showed that the Norin 1 photolyase–dimer complex was highly thermolabile relative to the wild-type Sasanishiki photolyase. This deficiency results from a structure/function alteration of photolyase rather than of nonspecific repair, photolytic, or regulatory elements. Thus, the molecular origin of this plant DNA repair deficiency, resulting from a spontaneously occurring mutation to UV radiation sensitivity, is defective photolyase. PMID:11006332

  9. A baculovirus photolyase with DNA repair activity and circadian clock regulatory function.

    PubMed

    Biernat, Magdalena A; Eker, André P M; van Oers, Monique M; Vlak, Just M; van der Horst, Gijsbertus T J; Chaves, Inês

    2012-02-01

    Cryptochromes and photolyases belong to the same family of flavoproteins but, despite being structurally conserved, display distinct functions. Photolyases use visible light to repair ultraviolet-induced DNA damage. Cryptochromes, however, function as blue-light receptors, circadian photoreceptors, or repressors of the CLOCK/BMAL1 heterodimer, the transcription activator controlling the molecular circadian clock. Here, we present evidence that the functional divergence between cryptochromes and photolyases is not so univocal. Chrysodeixis chalcites nucleopolyhedrovirus possesses 2 photolyase-like genes: phr1 and phr2. We show that PHR1 and PHR2 are able to bind the CLOCK protein. Only for PHR2, however, the physical interaction with CLOCK represses CLOCK/BMAL1-driven transcription. This result shows that binding of photolyase per se is not sufficient to inhibit the CLOCK/BMAL1 heterodimer. PHR2, furthermore, affects the oscillation of immortalized mouse embryonic fibroblasts, suggesting that PHR2 can regulate the molecular circadian clock. These findings are relevant for further understanding the evolution of cryptochromes and photolyases as well as behavioral changes induced in insects by baculoviruses. PMID:22306969

  10. Mapping Thymine Dimer Splitting in Damaged DNA by Photolyase

    NASA Astrophysics Data System (ADS)

    Liu, Zheyun; Tan, Chuang; Li, Jiang; Guo, Xunmin; Wang, Lijuan; Zhong, Dongping

    2010-06-01

    Photolyases uses light energy to convert UV-damaged cyclobutane pyrimidine dimer (CPD) to normal bases. We observed the formation and decay of semiquinone flavin and CPD anion intermediate, the recovery of hydroquinone flavin in ground state, and the formation of normal thymine bases in real time with femtosecond time resolution. By monitoring the decay and formation of all reactants, intermediates and products, the functional dynamics of the elementary steps during CPD repair have been mapped out. All elementary reaction steps, namely forward electron transfer, back electron transfer, bond breakage and electron return occur in sub-nanosecond scale. These dynamics are synergistically correlated for maximum of repair efficiency through a redox photocycle with no net change of electrons.

  11. A Light-Dependent Pathway for the Elimination of UV-Induced Pyrimidine (6-4) Pyrimidinone Photoproducts in Arabidopsis.

    PubMed Central

    Chen, J. J.; Mitchell, D. L.; Britt, A. B.

    1994-01-01

    Light-dependent repair of UV-induced cyclobutane pyrimidine dimers (CPDs) and pyrimidine (6-4) pyrimidinone dimers (6-4 products) was investigated in an excision repair-deficient Arabidopsis mutant. As previously described, exposure to broad-spectrum lighting was found to greatly enhance the rate of repair of CPDs. We demonstrate that 6-4 products are also efficiently eliminated in a light-dependent manner and that this photoreactivation of 6-4 products occurs independently of the previously described 6-4 product dark repair pathway. The light-dependent repair of both 6-4 products and CPDs occurs in the presence of blue light (435 nm) but not upon exposure to light of longer wavelengths. We also found that high-level expression of the CPD-specific photoreactivating activity in the Arabidopsis seedling requires induction by exposure to light prior to as well as during the period of repair while the 6-4 photoreactivating activity is constitutively expressed. This differential regulation of the photoreactivating activities suggests that the Arabidopsis seedling produces at least two distinct photolyases: one specific for CPDs and the other specific for 6-4 products. PMID:12244273

  12. The molecular origin of high DNA-repair efficiency by photolyase.

    PubMed

    Tan, Chuang; Liu, Zheyun; Li, Jiang; Guo, Xunmin; Wang, Lijuan; Sancar, Aziz; Zhong, Dongping

    2015-01-01

    The primary dynamics in photomachinery such as charge separation in photosynthesis and bond isomerization in sensory photoreceptor are typically ultrafast to accelerate functional dynamics and avoid energy dissipation. The same is also true for the DNA repair enzyme, photolyase. However, it is not known how the photoinduced step is optimized in photolyase to attain maximum efficiency. Here, we analyse the primary reaction steps of repair of ultraviolet-damaged DNA by photolyase using femtosecond spectroscopy. With systematic mutations of the amino acids involved in binding of the flavin cofactor and the cyclobutane pyrimidine dimer substrate, we report our direct deconvolution of the catalytic dynamics with three electron-transfer and two bond-breaking elementary steps and thus the fine tuning of the biological repair function for optimal efficiency. We found that the maximum repair efficiency is not enhanced by the ultrafast photoinduced process but achieved by the synergistic optimization of all steps in the complex repair reaction. PMID:26065359

  13. Baculovirus cyclobutane pyrimidine dimer photolyases show a close relationship with lepidopteran host homologues.

    PubMed

    Biernat, M A; Ros, V I D; Vlak, J M; van Oers, M M

    2011-08-01

    Cyclobutane pyrimidine dimer (CPD) photolyases repair ultraviolet (UV)-induced DNA damage using blue light. To get insight in the origin of baculovirus CPD photolyase (phr) genes, homologues in the lepidopteran insects Chrysodeixis chalcites, Spodoptera exigua and Trichoplusia ni were identified and characterized. Lepidopteran and baculovirus phr genes each form a monophyletic group, and together form a well-supported clade within the insect photolyases. This suggests that baculoviruses obtained their phr genes from an ancestral lepidopteran insect host. A likely evolutionary scenario is that a granulovirus, Spodoptera litura GV or a direct ancestor, obtained a phr gene. Subsequently, it was horizontally transferred from this granulovirus to several group II nucleopolyhedroviruses (NPVs), including those that infect noctuids of the Plusiinae subfamily. PMID:21477200

  14. The molecular origin of high DNA-repair efficiency by photolyase

    NASA Astrophysics Data System (ADS)

    Tan, Chuang; Liu, Zheyun; Li, Jiang; Guo, Xunmin; Wang, Lijuan; Sancar, Aziz; Zhong, Dongping

    2015-06-01

    The primary dynamics in photomachinery such as charge separation in photosynthesis and bond isomerization in sensory photoreceptor are typically ultrafast to accelerate functional dynamics and avoid energy dissipation. The same is also true for the DNA repair enzyme, photolyase. However, it is not known how the photoinduced step is optimized in photolyase to attain maximum efficiency. Here, we analyse the primary reaction steps of repair of ultraviolet-damaged DNA by photolyase using femtosecond spectroscopy. With systematic mutations of the amino acids involved in binding of the flavin cofactor and the cyclobutane pyrimidine dimer substrate, we report our direct deconvolution of the catalytic dynamics with three electron-transfer and two bond-breaking elementary steps and thus the fine tuning of the biological repair function for optimal efficiency. We found that the maximum repair efficiency is not enhanced by the ultrafast photoinduced process but achieved by the synergistic optimization of all steps in the complex repair reaction.

  15. Repair of a Dimeric Azetidine Related to the Thymine-Cytosine (6-4) Photoproduct by Electron Transfer Photoreduction.

    PubMed

    Fraga-Timiraos, Ana B; Lhiaubet-Vallet, Virginie; Miranda, Miguel A

    2016-05-10

    Photolyases are intriguing enzymes that take advantage of sunlight to restore lesions like cyclobutane pyrimidine dimers or (6-4) photoproducts. This work focused on the photoreductive process responsible for splitting of the azetidine ring proposed to occur during (6-4) photoproduct repair at a thymine-cytosine sequence. A model compound formed by photocycloaddition between thymine and 6-azauracil has been designed to mimic the elusive azetidine intermediate. The photoinduced electron transfer process has been investigated by means of steady-state and time-resolved fluorescence using photosensitizers with oxidation potentials in the singlet excited state ranging from -3.3 to -2.1 V vs. SCE. Azetidine ring splitting and recovery of "repaired" bases were proven by HPLC analysis. PMID:27061458

  16. Regulation of photolyase in Escherichia coli K-12 during adenine deprivation.

    PubMed Central

    Alcorn, J L; Rupert, C S

    1990-01-01

    DNA photolyase, a DNA repair enzyme encoded by the phr gene of Escherichia coli, is normally regulated at 10 to 20 active molecules per cell. In purA mutants deprived of adenine, this amount increased sixfold within 2 h. Operon fusions placing lacZ under transcriptional control of phr promoters indicated no change in transcription rate during adenine deprivation, and gene fusions of phr with lacZ showed a nearly constant level of translation as well. Immunoblot analysis indicated that the total amount of photolyase protein remained constant during enzyme amplification. On the other hand, treatment of cells with chloramphenicol during the adenine deprivation prevented any increase. DNA regions lying 1.3 to 4.2 kb upstream of the phr coding sequences were necessary for this amplification to occur and for this purpose would function in trans. These results suggest that adenine deprivation leads to a posttranslational change, involving synthesis of protein encoded by sequences lying upstream of phr, which increases photolyase activity. The amplification in activity was found to be reversible, for when adenine was restored, the photolyase activity declined before cell growth resumed. Images PMID:2254263

  17. Mechanisms of DNA Repair by Photolyase and Excision Nuclease (Nobel Lecture).

    PubMed

    Sancar, Aziz

    2016-07-18

    Ultraviolet light damages DNA by converting two adjacent thymines into a thymine dimer which is potentially mutagenic, carcinogenic, or lethal to the organism. This damage is repaired by photolyase and the nucleotide excision repair system in E. coli by nucleotide excision repair in humans. The work leading to these results is presented by Aziz Sancar in his Nobel Lecture. PMID:27337655

  18. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2011-04-01 2011-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General. The regulations in this part apply where:...

  19. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2013-04-01 2013-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General. The regulations in this part apply where:...

  20. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2014-04-01 2014-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General. The regulations in this part apply where:...

  1. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2012-04-01 2012-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General. The regulations in this part apply where:...

  2. 7 CFR 6.4 - Investigations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 1 2010-01-01 2010-01-01 false Investigations. 6.4 Section 6.4 Agriculture Office of the Secretary of Agriculture IMPORT QUOTAS AND FEES General Provisions § 6.4 Investigations. (a) Section 22. The Administrator shall cause an investigation to be made whenever, based upon a...

  3. Crystal structure of (1R,3S,8R,11R)-11-acetyl-3,7,7-trimethyl-10-oxatri­cyclo­[6.4.0.01,3]dodecan-9-one

    PubMed Central

    Bismoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed; Auhmani, Aziz

    2015-01-01

    The title compound, C16H24O3, is built up from three fused rings, a six-membered, a seven-membered and a three-membered ring. The absolute configuration of the title compound was determined as (1R,3S,8R,11R) based on the synthetic pathway. The six-membered ring has an half-chair conformation whereas the seven-membered ring displays a boat conformation. In the cyrstal, C—H⋯O hydrogen bonds build up a two-dimensional network parallel to (0 0 1). The crystal studied was an inversion twin with a minor twin component of 34%. PMID:26870471

  4. Purification of a novel UV-damaged-DNA binding protein highly specific for (6-4) photoproduct.

    PubMed

    Wakasugi, M; Abe, Y; Yoshida, Y; Matsunaga, T; Nikaido, O

    1996-03-15

    UV damage-specific binding proteins are considered to play important roles in early responses of cells irradiated with UV, including damage recognition in the DNA repair process. We have surveyed nuclear and cytoplasmic proteins which bind selectively to UV-irradiated DNA using an electrophoretic mobility shift assay. We detected four distinct binding activities with different mobilities in fractions separated from HeLa cells by heparin chromatography. Three of them were found in nuclear extracts and one in cytoplasmic extracts. We purified one of the binding factors from nuclear extracts to homogeneity, which was designated NF-10 (the 10th fraction of nuclear extract on heparin chromatography). It migrated as a 40 kDa polypeptide in SDS-PAGE, and bound to UV-irradiated double- stranded DNA but not to unirradiated DNA. The binding pattern of the NF-10 protein to DNA irradiated with UV corresponded to the induction kinetics of (6-4) photoproduct. Removal of (6-4) photoproducts from UV- irradiated DNA by (6-4) photoproduct-specific photolyase diminished the binding of NF-10 protein. These results suggest that the NF-10 protein binds to UV-damaged DNA through (6-4) photoproduct. Immunoblot analysis using a monoclonal antibody revealed that the NF-10 protein was expressed in cell lines from all complementation groups of xeroderma pigmentosum, indicating that the NF-10 protein is a novel UV-damaged-DNA binding protein. PMID:8604344

  5. 27 CFR 6.4 - Jurisdictional limits.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 27 Alcohol, Tobacco Products and Firearms 1 2010-04-01 2010-04-01 false Jurisdictional limits. 6.4 Section 6.4 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF... transactions in interstate or foreign commerce in any such products; or (iii) The direct effect of...

  6. FTIR Study of the Photoactivation Process of Xenopus (6-4) Photolyase†

    PubMed Central

    Yamada, Daichi; Zhang, Yu; Iwata, Tatsuya; Hitomi, Kenichi; Getzoff, Elizabeth D.; Kandori, Hideki

    2012-01-01

    Photolyases (PHRs) are blue-light activated DNA repair enzymes that maintain genetic integrity by reverting UV-induced photoproducts into normal bases. The FAD chromophore of PHRs has four different redox states: oxidized (FADox), anion radical (FAD•−), neutral radical (FADH•) and fully reduced (FADH−). We combined difference Fourier-transform infrared (FTIR) spectroscopy with UV-visible spectroscopy to study the detailed photoactivation process of Xenopus (6-4) PHR. Two photons produce the enzymatically active, fully reduced PHR from oxidized FAD: FADox is converted to semiquinone via light-induced one-electron and one-proton transfers, and then to FADH− by light-induced one-electron transfer. We successfully trapped FAD•− at 200 K, where electron transfer occurs, but proton transfer does not. UV-visible spectroscopy following 450-nm illumination of FADox at 277 K defined the FADH•/FADH− mixture and allowed calculation of difference FTIR spectra among the four redox states. The absence of a characteristic C=O stretching vibration indicated that the proton donor is not a protonated carboxylic acid. Structural changes in Trp and Tyr are suggested from UV-visible and FTIR analysis of FAD•− at 200 K. Spectral analysis of amide-I vibrations revealed structural perturbation of the protein’s β-sheet during initial electron transfer (FAD•− formation), transient increase in α-helicity during proton transfer (FADH• formation) and reversion to the initial amide-I signal following subsequent electron transfer (FADH− formation). Consequently, in (6-4) PHR, unlike cryptochrome-DASH, formation of enzymatically active FADH− did not perturb α-helicity. Protein structural changes in the photoactivation of (6-4) PHR are discussed on the basis of the present FTIR observations. PMID:22747528

  7. Crystal and molecular structure of the antimalarial agent 4-(tert-butyl)-2-(tert-butylaminomethyl)-6-(4-chlorophenyl)phenol dihydrogen phosphate (WR 194,965 phosphate).

    PubMed

    Karle, J M; Karle, I L

    1988-04-01

    WR 194,965 phosphate, a new antimalarial agent containing a biphenyl ring structure active against chloroquine-resistant Plasmodium falciparum, crystallized in ionic form with a positive charge on the quaternary nitrogen atom. The oxygen and nitrogen atoms of WR 194,965 were hydrogen bonded to the same phosphate group. The nitrogen atom was also hydrogen bonded to a second phosphate group. The phosphate ions formed discrete clusters of four phosphate moieties. The phosphate clusters contained fourfold inversion symmetry. The intramolecular N-O distance in WR 194,965 of 3.073 A (1 A = 0.1 nm) was close to the reported values for N-O distances in the active cinchona alkaloids and may be important for activity. A comparison of the crystalline structure of WR 194,965 with those of mefloquine and quinidine sulfate demonstrated that the regions of the three molecules in the vicinity of the aliphatic nitrogen atom and the oxygen atom superimpose. Much of the remainder of the WR 194,965 molecule spatially overlapped with the combined three-dimensional space defined by quinidine and mefloquine. The crystallographic parameters were: C21H29ClNO+.H2PO4-; Mr = 443.9; symmetry of unit cell, tetragonal; space group, I41/a; parameters of unit cell, a = b = 24.305 +/- 0.002 A, c = 17.556 +/- 0.003 A; V (volume of unit cell) = 10370.9 A3; Z (number of molecules per unit cell) = 16; Dx (calculated density) = 1.137 g cm-3; source of radiation, CuK alpha (lambda = 1.54178 A); mu (absorption coefficient) = 21.3 cm-1; F(000) (sum of atomic scattering factors at zero scattering angle) = 3,440; room temperature; final R = 8.2% for 2,508 reflections with [F0] greater than 3 sigma. PMID:3288114

  8. 43 CFR 3141.6-4 - Qualifications.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ..., DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Leasing in Special Tar Sand Areas § 3141.6-4 Qualifications. Each bidder shall submit with the bid a statement over...

  9. 43 CFR 3141.6-4 - Qualifications.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ..., DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Leasing in Special Tar Sand Areas § 3141.6-4 Qualifications. Each bidder shall submit with the bid a statement over...

  10. 43 CFR 3141.6-4 - Qualifications.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ..., DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Leasing in Special Tar Sand Areas § 3141.6-4 Qualifications. Each bidder shall submit with the bid a statement over...

  11. 43 CFR 3141.6-4 - Qualifications.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ..., DEPARTMENT OF THE INTERIOR MINERALS MANAGEMENT (3000) LEASING IN SPECIAL TAR SAND AREAS Leasing in Special Tar Sand Areas § 3141.6-4 Qualifications. Each bidder shall submit with the bid a statement over...

  12. Role of the carbonyl group of the (6–4) photoproduct in the (6–4) photolyase reaction†

    PubMed Central

    Yamamoto, Junpei; Hitomi, Kenichi; Hayashi, Ryosuke; Getzoff, Elizabeth D.; Iwai, Shigenori

    2009-01-01

    The (6–4) photoproduct, which is one of the major UV-induced DNA lesions, causes carcinogenesis with high frequency. The (6–4) photolyase is a flavoprotein that can restore this lesion to the original bases, but its repair mechanism has not been elucidated. In this study, we focused on the interaction between the enzyme and the 3’ pyrimidone component of the (6–4) photoproduct, and prepared a substrate analog in which the carbonyl group, a hydrogen-bond acceptor, was replaced with an imine, a hydrogen-bond donor, to investigate the involvement of this carbonyl group in the (6–4) photolyase reaction. UV irradiation of oligodeoxyribonucleotides containing a single thymine–5-methylisocytosine site yielded products with absorption bands at wavelengths longer than 300 nm, similar to those obtained from the conversion of the TT site to the (6–4) photoproduct. The nuclease digestion, MALDI-TOF mass spectrometry, and the instability of the products indicated the formation of the 2-iminopyrimidine-type photoproduct. Analyses of the reaction and the binding of the (6–4) photolyase using these oligonucleotides revealed that this imine analog of the (6–4) photoproduct was not repaired by the (6–4) photolyase, although the enzyme bound to the oligonucleotide with considerable affinity. These results indicate that the carbonyl group of the 3’ pyrimidone ring plays an important role in the (6–4) photolyase reaction. Based on these results, we discuss the repair mechanism. PMID:19715341

  13. Transfection of pseudouridine-modified mRNA encoding CPD-photolyase leads to repair of DNA damage in human keratinocytes: a new approach with future therapeutic potential

    PubMed Central

    Boros, Gábor; Miko, Edit; Muramatsu, Hiromi; Weissman, Drew; Emri, Eszter; Rózsa, Dávid; Nagy, Georgina; Juhász, Attila; Juhász, István; van der Horst, Gijsbertus; Horkay, Irén; Remenyik, Éva; Karikó, Katalin; Emri, Gabriella

    2013-01-01

    UVB irradiation induces harmful photochemical reactions, including formation of cyclobutane pyrimidine dimers (CPDs) in DNA. Accumulation of unrepaired CPD lesions causes inflammation, premature ageing and skin cancer. Photolyases are DNA repair enzymes that can rapidly restore DNA integrity in a light-dependent process called photoreactivation, but these enzymes are absent in humans. Here, we present a novel mRNA-based gene therapy method that directs synthesis of a marsupial, Potorous tridactylus, CPD-photolyase in cultured human keratinocytes. Pseudouridine was incorporated during in vitro transcription to make the mRNA non-immunogenic and highly translatable. Keratinocytes transfected with lipofectamine-complexed mRNA expressed photolyase in the nuclei for at least 2 days. Exposing photolyase mRNA-transfected cells to UVB irradiation resulted in significantly less CPD in those cells that were also treated with photoreactivating light, which is required for photolyase activity. The functional photolyase also diminished other UVB-mediated effects, including induction of IL-6 and inhibition of cell proliferation. These results demonstrate that pseudouridine-containing photolyase mRNA is a powerful tool to repair UVB-induced DNA lesions. The pseudouridine-modified mRNA approach has a strong potential to discern cellular effects of CPD in UV-related cell biological studies. The mRNA-based transient expression of proteins offers a number of opportunities for future application in medicine. PMID:24211294

  14. Transfection of pseudouridine-modified mRNA encoding CPD-photolyase leads to repair of DNA damage in human keratinocytes: a new approach with future therapeutic potential.

    PubMed

    Boros, Gábor; Miko, Edit; Muramatsu, Hiromi; Weissman, Drew; Emri, Eszter; Rózsa, Dávid; Nagy, Georgina; Juhász, Attila; Juhász, István; van der Horst, Gijsbertus; Horkay, Irén; Remenyik, Éva; Karikó, Katalin; Emri, Gabriella

    2013-12-01

    UVB irradiation induces harmful photochemical reactions, including formation of Cyclobutane Pyrimidine Dimers (CPDs) in DNA. Accumulation of unrepaired CPD lesions causes inflammation, premature ageing and skin cancer. Photolyases are DNA repair enzymes that can rapidly restore DNA integrity in a light-dependent process called photoreactivation, but these enzymes are absent in humans. Here, we present a novel mRNA-based gene therapy method that directs synthesis of a marsupial, Potorous tridactylus, CPD-photolyase in cultured human keratinocytes. Pseudouridine was incorporated during in vitro transcription to make the mRNA non-immunogenic and highly translatable. Keratinocytes transfected with lipofectamine-complexed mRNA expressed photolyase in the nuclei for at least 2days. Exposing photolyase mRNA-transfected cells to UVB irradiation resulted in significantly less CPD in those cells that were also treated with photoreactivating light, which is required for photolyase activity. The functional photolyase also diminished other UVB-mediated effects, including induction of IL-6 and inhibition of cell proliferation. These results demonstrate that pseudouridine-containing photolyase mRNA is a powerful tool to repair UVB-induced DNA lesions. The pseudouridine-modified mRNA approach has a strong potential to discern cellular effects of CPD in UV-related cell biological studies. The mRNA-based transient expression of proteins offers a number of opportunities for future application in medicine. PMID:24211294

  15. Cloning, functional characterization, and near-ultraviolet radiation-enhanced expression of a photolyase gene (PHR1) from the phytopathogenic fungus Bipolaris oryzae.

    PubMed

    Kihara, Junichi; Moriwaki, Akihiro; Matsuo, Nobuhito; Arase, Sakae; Honda, Yuichi

    2004-07-01

    Photolyase is a DNA repair enzyme that can absorb blue/ultraviolet A light as energy and split a pyrimidine dimer induced by ultraviolet radiation. We isolated and characterized PHR1, a gene encoding photolyase, from the phytopathogenic fungus Bipolaris oryzae. Sequence analysis showed that PHR1 encodes a putative protein that has 634 amino acids, a molecular mass of 72.6 kDa, and 51.3-55.5% sequence identity to other fungal photolyases. Complementation of the photoreactivation-deficient Escherichia coli mutant by PHR1 cDNA demonstrated that the PHR1 gene from B. oryzae encodes a functional photolyase. Real-time PCR analysis showed that the PHR1 transcripts were specifically enhanced by near-ultraviolet radiation (300-400 nm) and by sunlight. PMID:15138697

  16. Dynamic Determination of Active-Site Reactivity in Semiquinone Photolyase by the Cofactor Photoreduction

    PubMed Central

    2015-01-01

    Photolyase contains a flavin cofactor in a fully reduced form as its functional state to repair ultraviolet-damaged DNA upon blue light absorption. However, after purification, the cofactor exists in its oxidized or neutral semiquinone state. Such oxidization eliminates the repair function, but it can be reverted by photoreduction, a photoinduced process with a series of electron-transfer (ET) reactions. With femtosecond absorption spectroscopy and site-directed mutagenesis, we completely recharacterized such photoreduction dynamics in the semiquinone state. Comparing with all previous studies, we identified a new intramolecular ET pathway, determined stretched ET behaviors, refined all ET time scales, and finally evaluated the driving forces and reorganization energies for eight elementary ET reactions. Combined with the oxidized-state photoreduction dynamics, we elucidated the different active-site properties of the reduction ability and structural flexibility in the oxidized and semiquinone states, leading to the dramatically different ET dynamics and photoreduction efficiency in the two states. PMID:24803991

  17. 6MAP, a fluorescent adenine analogue, is a probe of base flipping by DNA photolyase.

    PubMed

    Yang, Kongsheng; Matsika, Spiridoula; Stanley, Robert J

    2007-09-01

    Cyclobutylpyrimidine dimers (CPDs) are formed between adjacent pyrimidines in DNA when it absorbs ultraviolet light. CPDs can be directly repaired by DNA photolyase (PL) in the presence of visible light. How PL recognizes and binds its substrate is still not well understood. Fluorescent nucleic acid base analogues are powerful probes of DNA structure. We have used the fluorescent adenine analogue 6MAP, a pteridone, to probe the local double helical structure of the CPD substrate when bound by photolyase. Duplex melting temperatures were obtained by both UV-vis absorption and fluorescence spectroscopies to ascertain the effect of the probe and the CPD on DNA stability. Steady-state fluorescence measurements of 6MAP-containing single-stranded and doubled-stranded oligos with and without protein show that the local region around the CPD is significantly disrupted. 6MAP shows a different quenching pattern compared to 2-aminopurine, another important adenine analogue, although both probes show that the structure of the complementary strand opposing the 5'-side of the CPD lesion is more destacked than that opposing the 3'-side in substrate/protein complexes. We also show that 6MAP/CPD duplexes are substrates for PL. Vertical excitation energies and transition dipole moment directions for 6MAP were calculated using time-dependent density functional theory. Using these results, the Förster resonance energy transfer efficiency between the individual adenine analogues and the oxidized flavin cofactor was calculated to account for the observed intensity pattern. These calculations suggest that energy transfer is highly efficient for the 6MAP probe and less so for the 2Ap probe. However, no experimental evidence for this process was observed in the steady-state emission spectra. PMID:17696385

  18. Transport of rice cyclobutane pyrimidine dimer photolyase into mitochondria relies on a targeting sequence located in its C-terminal internal region.

    PubMed

    Takahashi, Sayaka; Teranishi, Mika; Izumi, Masanori; Takahashi, Masaaki; Takahashi, Fumio; Hidema, Jun

    2014-09-01

    The cyclobutane pyrimidine dimer (CPD), which represents a major type of DNA damage induced by ultraviolet-B (UVB) radiation, is a principal cause of UVB-induced growth inhibition in plants. CPD photolyase is the primary enzyme for repairing CPDs and is crucial for determining the sensitivity of Oryza sativa (rice) to UVB radiation. CPD photolyase is widely distributed among species ranging from eubacteria to eukaryotes, and is classified into class I or II based on its primary structure. We previously demonstrated that rice CPD photolyase (OsPHR), which belongs to class II and is encoded by a single-copy gene, is a unique nuclear/mitochondrial/chloroplast triple-targeting protein; however, the location and nature of the organellar targeting information contained within OsPHR are unknown. Here, the nuclear and mitochondrial targeting signal sequences of OsPHR were identified by systematic deletion analysis. The nuclear and mitochondrial targeting sequences are harbored within residues 487-489 and 391-401 in the C-terminal region of OsPHR (506 amino acid residues), respectively. The mitochondrial targeting signal represents a distinct topogenic sequence that differs structurally and functionally from classical N-terminal pre-sequences, and this region, in addition to its role in localization to the mitochondria, is essential for the proper functioning of the CPD photolyase. Furthermore, the mitochondrial targeting sequence, which is characteristic of class-II CPD photolyases, was acquired before the divergence of class-II CPD photolyases in eukaryotes. These results indicate that rice plants have evolved a CPD photolyase that functions in mitochondria to protect cells from the harmful effects of UVB radiation. PMID:24947012

  19. Crystal structure of (1S,3R,8R,9R)-2,2-di­chloro-3,7,7-tri­methyl-10-methylenetri­cyclo­[6.4.0.01,3]dodecan-9-ol

    PubMed Central

    Benzalim, Ahmed; Auhmani, Aziz; Bimoussa, Abdoullah; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed

    2016-01-01

    The title compound, C16H24Cl2O, was synthesized by treating (1S,3R,8S,9R,10S)-2,2-di­chloro-3,7,7,10-tetra­methyl-9,10-ep­oxy­tri­cyclo­[6.4.0.01,3]dodecane with a concentrated solution of hydro­bromic acid. It is built up from three fused rings: a cyclo­heptane ring, a cyclo­hexyl ring bearing alkene and hy­droxy substituents, and a cyclo­propane ring bearing two chlorine atoms. The asymmetric unit contains two mol­ecules linked by an O—H⋯O hydrogen bond. In the crystal, further O—H⋯O hydrogen bonds build up an R 4 4(8) cyclic tetra­mer. One of the mol­ecules presents disorder that affects the seven-membered ring. In both mol­ecules, the six-membered rings display a chair conformation, whereas the seven-membered rings display conformations inter­mediate between boat and twist-boat for the non-disordered mol­ecule and either a chair or boat and twist-boat for the disordered mol­ecule owing to the disorder. The absolute configuration for both mol­ecules is 1S,3R,8R,9R and was deduced from the chemical pathway and further confirmed by the X-ray structural analysis. PMID:27536404

  20. Reduced ultraviolet-induced DNA damage and apoptosis in human skin with topical application of a photolyase-containing DNA repair enzyme cream: clues to skin cancer prevention.

    PubMed

    Berardesca, Enzo; Bertona, Marco; Altabas, Karmela; Altabas, Velimir; Emanuele, Enzo

    2012-02-01

    The exposure of human skin to ultraviolet radiation (UVR) results in the formation of DNA photolesions that give rise to photoaging, mutations, cell death and the onset of carcinogenic events. Photolyase (EC 4.1.99.3) is a DNA repair enzyme that reverses damage caused by exposure to UVR. We sought to investigate whether addition of photolyase enhances the protection provided by a traditional sunscreen (SS), by reducing the in vivo formation of cyclobutane-type pyrimidine dimers (CPDs) and UVR-induced apoptosis in human skin. Ten volunteers (Fitzpatrick skin type II) were exposed to solar-simulated (ss) UVR at a three times minimal erythema dose for 4 consecutive days. Thirty minutes prior to each exposure, the test materials [vehicle, SS (sun protection factor 50) alone, and SS plus photolyase from Anacystis nidulans] were applied topically to three different sites. One additional site was left untreated and one received ssUVR only. Biopsy specimens were taken 72 h after the last irradiation. The amount of CPDs and the extent of apoptosis were measured by ELISA. Photolyase plus SS was superior to SS alone in reducing both the formation of CPDs and apoptotic cell death (both P<0.001). In conclusion, the addition of photolyase to a traditional SS contributes significantly to the prevention of UVR-induced DNA damage and apoptosis when applied topically to human skin. PMID:22086236

  1. Spectro-temporal characterization of the photoactivation mechanism of two new oxidized cryptochrome/photolyase photoreceptors.

    PubMed

    Brazard, Johanna; Usman, Anwar; Lacombat, Fabien; Ley, Christian; Martin, Monique M; Plaza, Pascal; Mony, Laetitia; Heijde, Marc; Zabulon, Gérald; Bowler, Chris

    2010-04-01

    The photoactivation dynamics of two new flavoproteins (OtCPF1 and OtCPF2) of the cryptochrome photolyase family (CPF), belonging to the green alga Ostreococcus tauri , was studied by broadband UV-vis femtosecond absorption spectroscopy. Upon excitation of the protein chromophoric cofactor, flavin adenine dinucleotide in its oxidized form (FAD(ox)), we observed in both cases the ultrafast photoreduction of FAD(ox): in 390 fs for OtCPF1 and 590 fs for OtCPF2. Although such ultrafast electron transfer has already been reported for other flavoproteins and CPF members, the present result is the first demonstration with full spectral characterization of the mechanism. Analysis of the photoproduct spectra allowed identifying tryptophan as the primary electron donor. This residue is found to be oxidized to its protonated radical cation form (WH(*+)), while FAD(ox) is reduced to FAD(*-). Subsequent kinetics were observed in the picosecond and subnanosecond regime, mostly described by a biexponential partial decay of the photoproduct transient signal (9 and 81 ps for OtCPF1, and 13 and 340 ps for OtCPF2), with reduced spectral changes, while a long-lived photoproduct remains in the nanosecond time scale. We interpret these observations within the model proposed by the groups of Brettel and Vos, which describes the photoreduction of FADH(*) within E. coli CPD photolyase (EcCPD) as a sequential electron transfer along a chain of three tryptophan residues, although in that case the rate limiting step was the primary photoreduction in 30 ps. In the present study, excitation of FAD(ox) permitted to reveal the following steps and spectroscopically assign them to the hole-hopping process along the tryptophan chain, accompanied by partial charge recombination at each step. In addition, structural analysis performed by homology modeling allowed us to propose a tentative structure of the relative orientations of FAD and the conserved tryptophan triad. The results of preliminary

  2. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Adjustments to penalties. 6.4 Section 6.4 Commerce and Foreign Trade Office of the Secretary of Commerce CIVIL MONETARY PENALTY INFLATION ADJUSTMENTS § 6.4 Adjustments to penalties. The civil monetary penalties provided by law within the jurisdiction of the respective agencies or...

  3. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Adjustments to penalties. 6.4 Section 6.4 Commerce and Foreign Trade Office of the Secretary of Commerce CIVIL MONETARY PENALTY INFLATION ADJUSTMENTS § 6.4 Adjustments to penalties. The civil monetary penalties provided by law within the jurisdiction of the respective agencies or...

  4. 39 CFR 6.4 - Attendance by conference telephone call.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 39 Postal Service 1 2010-07-01 2010-07-01 false Attendance by conference telephone call. 6.4 Section 6.4 Postal Service UNITED STATES POSTAL SERVICE THE BOARD OF GOVERNORS OF THE U.S. POSTAL SERVICE MEETINGS (ARTICLE VI) § 6.4 Attendance by conference telephone call. For regularly scheduled meetings...

  5. 43 CFR 6.4 - Action by Solicitor.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 43 Public Lands: Interior 1 2012-10-01 2011-10-01 true Action by Solicitor. 6.4 Section 6.4 Public Lands: Interior Office of the Secretary of the Interior PATENT REGULATIONS Inventions by Employees § 6.4 Action by Solicitor. (a) If an employee inventor requests pursuant to § 6.2(e), that such...

  6. 43 CFR 6.4 - Action by Solicitor.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false Action by Solicitor. 6.4 Section 6.4 Public Lands: Interior Office of the Secretary of the Interior PATENT REGULATIONS Inventions by Employees § 6.4 Action by Solicitor. (a) If an employee inventor requests pursuant to § 6.2(e), that...

  7. 43 CFR 6.4 - Action by Solicitor.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 43 Public Lands: Interior 1 2013-10-01 2013-10-01 false Action by Solicitor. 6.4 Section 6.4 Public Lands: Interior Office of the Secretary of the Interior PATENT REGULATIONS Inventions by Employees § 6.4 Action by Solicitor. (a) If an employee inventor requests pursuant to § 6.2(e), that...

  8. 43 CFR 6.4 - Action by Solicitor.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 43 Public Lands: Interior 1 2011-10-01 2011-10-01 false Action by Solicitor. 6.4 Section 6.4 Public Lands: Interior Office of the Secretary of the Interior PATENT REGULATIONS Inventions by Employees § 6.4 Action by Solicitor. (a) If an employee inventor requests pursuant to § 6.2(e), that...

  9. 41 CFR 51-6.4 - Military resale commodities.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... commodities. 51-6.4 Section 51-6.4 Public Contracts and Property Management Other Provisions Relating to... PROCEDURES § 51-6.4 Military resale commodities. (a) Purchase procedures for ordering military resale... overseas, to designated depots at ports of embarkation. Zone pricing is used for delivery to Alaska...

  10. 41 CFR 51-6.4 - Military resale commodities.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... commodities. 51-6.4 Section 51-6.4 Public Contracts and Property Management Other Provisions Relating to... PROCEDURES § 51-6.4 Military resale commodities. (a) Purchase procedures for ordering military resale... overseas, to designated depots at ports of embarkation. Zone pricing is used for delivery to Alaska...

  11. 41 CFR 51-6.4 - Military resale commodities.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... commodities. 51-6.4 Section 51-6.4 Public Contracts and Property Management Other Provisions Relating to... PROCEDURES § 51-6.4 Military resale commodities. (a) Purchase procedures for ordering military resale... overseas, to designated depots at ports of embarkation. Zone pricing is used for delivery to Alaska...

  12. 1 CFR 6.4 - Monthly list of sections affected.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 1 General Provisions 1 2011-01-01 2011-01-01 false Monthly list of sections affected. 6.4 Section 6.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER INDEXES AND ANCILLARIES § 6.4 Monthly list of sections affected. A monthly list of sections of the Code...

  13. 1 CFR 6.4 - Monthly list of sections affected.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 1 General Provisions 1 2010-01-01 2010-01-01 false Monthly list of sections affected. 6.4 Section 6.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER INDEXES AND ANCILLARIES § 6.4 Monthly list of sections affected. A monthly list of sections of the Code...

  14. 1 CFR 6.4 - Monthly list of sections affected.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 1 General Provisions 1 2013-01-01 2012-01-01 true Monthly list of sections affected. 6.4 Section 6.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER INDEXES AND ANCILLARIES § 6.4 Monthly list of sections affected. A monthly list of sections of the Code...

  15. 1 CFR 6.4 - Monthly list of sections affected.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 1 General Provisions 1 2012-01-01 2012-01-01 false Monthly list of sections affected. 6.4 Section 6.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER INDEXES AND ANCILLARIES § 6.4 Monthly list of sections affected. A monthly list of sections of the Code...

  16. 1 CFR 6.4 - Monthly list of sections affected.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 1 General Provisions 1 2014-01-01 2012-01-01 true Monthly list of sections affected. 6.4 Section 6.4 General Provisions ADMINISTRATIVE COMMITTEE OF THE FEDERAL REGISTER THE FEDERAL REGISTER INDEXES AND ANCILLARIES § 6.4 Monthly list of sections affected. A monthly list of sections of the Code...

  17. UV-B-Induced CPD Photolyase Gene Expression is Regulated by UVR8-Dependent and -Independent Pathways in Arabidopsis.

    PubMed

    Li, Nan; Teranishi, Mika; Yamaguchi, Hiroko; Matsushita, Tomonao; Watahiki, Masaaki K; Tsuge, Tomohiko; Li, Shao-Shan; Hidema, Jun

    2015-10-01

    Plants have evolved various mechanisms that protect against the harmful effects of UV-B radiation (280-315 nm) on growth and development. Cyclobutane pyrimidine dimer (CPD) photolyase, the repair enzyme for UV-B-induced CPDs, is essential for protecting cells from UV-B radiation. Expression of the CPD photolyase gene (PHR) is controlled by light with various wavelengths including UV-B, but the mechanisms of this regulation remain poorly understood. In this study, we investigated the regulation of PHR expression by light with various wavelengths, in particular low-fluence UV-B radiation (280 nm, 0.2 µmol m(-2) s(-1)), in Arabidopsis thaliana seedlings grown under light-dark cycles for 7 d and then adapted to the dark for 3 d. Low-fluence UV-B radiation induced CPDs but not reactive oxygen species. AtPHR expression was effectively induced by UV-B, UV-A (375 nm) and blue light. Expression induced by UV-A and blue light was predominantly regulated by the cryptochrome-dependent pathway, whereas phytochromes A and B played a minor but noticeable role. Expression induced by UV-B was predominantly regulated by the UVR8-dependent pathway. AtPHR expression was also mediated by a UVR8-independent pathway, which is correlated with CPD accumulation induced by UV-B radiation. These results indicate that Arabidopsis has evolved diverse mechanisms to regulate CPD photolyase expression by multiple photoreceptor signaling pathways, including UVR8-dependent and -independent pathways, as protection against harmful effects of UV-B radiation. PMID:26272552

  18. 22 CFR 19.6-4 - Date of court orders.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 22 Foreign Relations 1 2011-04-01 2011-04-01 false Date of court orders. 19.6-4 Section 19.6-4 Foreign Relations DEPARTMENT OF STATE PERSONNEL BENEFITS FOR SPOUSES AND FORMER SPOUSES OF PARTICIPANTS IN THE FOREIGN SERVICE RETIREMENT AND DISABILITY SYSTEM § 19.6-4 Date of court orders. (a) A court order directing or barring payment of a pension...

  19. Kinetics of cyclobutane thymine dimer splitting by DNA photolyase directly monitored in the UV

    PubMed Central

    Thiagarajan, Viruthachalam; Byrdin, Martin; Eker, André P. M.; Müller, Pavel; Brettel, Klaus

    2011-01-01

    CPD photolyase uses light to repair cyclobutane pyrimidine dimers (CPDs) formed between adjacent pyrimidines in UV-irradiated DNA. The enzyme harbors an FAD cofactor in fully reduced state (FADH-). The CPD repair mechanism involves electron transfer from photoexcited FADH- to the CPD, splitting of its intradimer bonds, and electron return to restore catalytically active FADH-. The two electron transfer processes occur on time scales of 10-10 and 10-9 s, respectively. Until now, CPD splitting itself has only been poorly characterized by experiments. Using a previously unreported transient absorption setup, we succeeded in monitoring cyclobutane thymine dimer repair in the main UV absorption band of intact thymine at 266 nm. Flavin transitions that overlay DNA-based absorption changes at 266 nm were monitored independently in the visible and subtracted to obtain the true repair kinetics. Restoration of intact thymine showed a short lag and a biexponential rise with time constants of 0.2 and 1.5 ns. We assign these two time constants to splitting of the intradimer bonds (creating one intact thymine and one thymine anion radical T∘-) and electron return from T∘- to the FAD cofactor with recovery of the second thymine, respectively. Previous model studies and computer simulations yielded various CPD splitting times between < 1 ps and < 100 ns. Our experimental results should serve as a benchmark for future efforts to model enzymatic photorepair. The technique and methods developed here may be applied to monitor other photoreactions involving DNA. PMID:21606324

  20. Charge transfer in E. coli DNA photolyase: understanding polarization and stabilization effects via QM/MM simulations.

    PubMed

    Lüdemann, Gesa; Woiczikowski, P Benjamin; Kubař, Tomáš; Elstner, Marcus; Steinbrecher, Thomas B

    2013-09-19

    We study fast hole transfer events in E. coli DNA photolyase, a key step in the photoactivation process, using a multiscale computational method that combines nonadiabatic propagation schemes and linear-scaling quantum chemical methods with molecular mechanics force fields. This scheme allows us to follow the time-dependent evolution of the electron hole in an unbiased fashion; that is, no assumptions about hole wave function localization, time scale separation, or adiabaticity of the process have to be made beforehand. DNA photolyase facilitates an efficient long-range charge transport between its flavin adenine dinucleotide (FAD) cofactor and the protein surface via a chain of evolutionary conserved Trp residues on the sub-nanosecond time scale despite the existence of multiple potential trap states. By including a large number of aromatic residues along the charge transfer pathway into the quantum description, we are able to identify the main pathway among alternative possible routes. The simulations show that charge transfer, which is extremely fast in this protein, occurs on the same time scale as the protein response to the electrostatic changes; that is, time-scale separation as often presupposed in charge transfer studies seems to be inappropriate for this system. Therefore, coupled equations of motion, which propagate electrons and nuclei simultaneously, appear to be necessary. The applied computational model is shown to capture the essentials of the reaction kinetics and thermodynamics while allowing direct simulations of charge transfer events on their natural time scale. PMID:23964783

  1. Sequence analysis of the complete genome of Trichoplusia ni single nucleopolyhedrovirus and the identification of a baculoviral photolyase gene

    SciTech Connect

    Willis, Leslie G.; Siepp, Robyn; Stewart, Taryn M.; Erlandson, Martin A.; Theilmann, David A. . E-mail: TheilmannD@agr.gc.ca

    2005-08-01

    The genome of the Trichoplusia ni single nucleopolyhedrovirus (TnSNPV), a group II NPV which infects the cabbage looper (T. ni), has been completely sequenced and analyzed. The TnSNPV DNA genome consists of 134,394 bp and has an overall G + C content of 39%. Gene analysis predicted 144 open reading frames (ORFs) of 150 nucleotides or greater that showed minimal overlap. Comparisons with previously sequenced baculoviruses indicate that 119 TnSNPV ORFs were homologues of previously reported viral gene sequences. Ninety-four TnSNPV ORFs returned an Autographa californica multiple NPV (AcMNPV) homologue while 25 ORFs returned poor or no sequence matches with the current databases. A putative photolyase gene was also identified that had highest amino acid identity to the photolyase genes of Chrysodeixis chalcites NPV (ChchNPV) (47%) and Danio rerio (zebrafish) (40%). In addition unlike all other baculoviruses no obvious homologous repeat (hr) sequences were identified. Comparison of the TnSNPV and AcMNPV genomes provides a unique opportunity to examine two baculoviruses that are highly virulent for a common insect host (T. ni) yet belong to diverse baculovirus taxonomic groups and possess distinct biological features. In vitro fusion assays demonstrated that the TnSNPV F protein induces membrane fusion and syncytia formation and were compared to syncytia formed by AcMNPV GP64.

  2. 37 CFR 6.4 - Schedule for collective membership marks.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2013-07-01 2013-07-01 false Schedule for collective membership marks. 6.4 Section 6.4 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK... Schedule for collective membership marks. All collective membership marks in applications based on...

  3. 37 CFR 6.4 - Schedule for collective membership marks.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2011-07-01 2011-07-01 false Schedule for collective membership marks. 6.4 Section 6.4 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK... Schedule for collective membership marks. All collective membership marks in applications based on...

  4. 37 CFR 6.4 - Schedule for collective membership marks.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2010-07-01 2010-07-01 false Schedule for collective membership marks. 6.4 Section 6.4 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK... Schedule for collective membership marks. All collective membership marks in applications based on...

  5. 37 CFR 6.4 - Schedule for collective membership marks.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2012-07-01 2012-07-01 false Schedule for collective membership marks. 6.4 Section 6.4 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK... Schedule for collective membership marks. All collective membership marks in applications based on...

  6. 37 CFR 6.4 - Schedule for collective membership marks.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 37 Patents, Trademarks, and Copyrights 1 2014-07-01 2014-07-01 false Schedule for collective membership marks. 6.4 Section 6.4 Patents, Trademarks, and Copyrights UNITED STATES PATENT AND TRADEMARK... Schedule for collective membership marks. All collective membership marks in applications based on...

  7. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 15 Commerce and Foreign Trade 1 2012-01-01 2012-01-01 false Adjustments to penalties. 6.4 Section 6.4 Commerce and Foreign Trade Office of the Secretary of Commerce CIVIL MONETARY PENALTY INFLATION..., Collection of Foreign Trade Statistics—Delinquency on Delayed Filing of Export Documentation; maximum...

  8. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 15 Commerce and Foreign Trade 1 2014-01-01 2014-01-01 false Adjustments to penalties. 6.4 Section 6.4 Commerce and Foreign Trade Office of the Secretary of Commerce CIVIL MONETARY PENALTY INFLATION..., Collection of Foreign Trade Statistics—Delinquency on Delayed Filing of Export Documentation; maximum...

  9. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 15 Commerce and Foreign Trade 1 2013-01-01 2013-01-01 false Adjustments to penalties. 6.4 Section 6.4 Commerce and Foreign Trade Office of the Secretary of Commerce CIVIL MONETARY PENALTY INFLATION..., Collection of Foreign Trade Statistics—Delinquency on Delayed Filing of Export Documentation; maximum...

  10. PHH1, a novel gene from Arabidopsis thaliana that encodes a protein similar to plant blue-light photoreceptors and microbial photolyases.

    PubMed

    Hoffman, P D; Batschauer, A; Hays, J B

    1996-11-27

    A cDNA from Arabidopsis thaliana similar to microbial photolyase genes, and designated AT-PHH1, was isolated using a photolyase-like cDNA from Sinapsis alba (SA-PHR1) as a probe. Multiple isolations yielded only PHH1 cDNAs, and a few blue-light-receptor CRY1 (HY4) cDNAs (also similar to microbial photolyase genes), suggesting the absence of any other highly similar Arabidopsis genes. The AT-PHH1 and SA-PHR1 cDNA sequences predict 89% identity at the protein level, except for an AT-PHH1 C-terminal extension (111 amino acids), also not seen in microbial photolyases. AT-PHH1 and CRY1 show less similarity (54% p4erein identity), including respective C-terminal extensions that are themselves mostly dissimilar. Analysis of fifteen AT-PHH1 genomic isolates reveals a single gene, with three introns in the coding sequence and one in the 5'-untranslated leader. Full-length AT-PHH1, and both AT-PHH1 and AT-PHH1 delta C-513 (truncated to be approximately the size of microbial photolyase genes) cDNAs, were overexpressed, respectively, in yeast and Escherichia coli mutants hypersensitive to ultraviolet light. The absence of significant effects on resistance suggests either that any putative AT-PHH1 DNA repair activity requires cofactors/chromophores not present in yeast or E. coli, or that AT-PHH1 encodes a blue-light/ultraviolet-A receptor rather than a DNA repair protein. PMID:9003312

  11. DNA repair by photolyase: a novel substrate with low background absorption around 265 nm for transient absorption studies in the UV.

    PubMed

    Thiagarajan, Viruthachalam; Villette, Sandrine; Espagne, Agathe; Eker, Andre P M; Brettel, Klaus; Byrdin, Martin

    2010-01-19

    CPD photolyase enzymatically repairs the major UV-induced lesion in DNA, the cyclobutane pyrimidine dimer (CPD), by photoreversion of the damage reaction. An enzyme-bound reduced flavin (FADH(-)) cofactor functions as photosensitizer. Upon excitation, it transiently transfers an electron to the CPD, triggering scission of the interpyrimidine bonds. After repair completion, the electron returns to the flavin to restore its functional reduced form. A major difficulty for time-resolved spectroscopic monitoring of the enzymatic repair reaction is that absorption changes around 265 nm accompanying pyrimidine restoration are obscured by the strong background absorption of the nondimerized bases in DNA. Here we present a novel substrate for CPD photolyase that absorbs only weakly around 265 nm: a modified thymidine 10-mer with a central CPD and all bases, except the one at the 3' end, replaced by 5,6-dihydrothymine which virtually does not absorb around 265 nm. Repair of this substrate by photolyases from Anacystis nidulans and from Escherichia coli was compared with repair of two conventional substrates: a 10-mer of unmodified thymidines containing a central CPD and an acetone-sensitized thymidine 18-mer that contained in average six randomly distributed CPDs per strand. In all cases, the novel substrate was repaired with an efficiency very similar to that of the conventional substrates (quantum yields in the order of 0.5 upon excitation of FADH(-)). Flash-induced transient absorption changes at 267 nm could be recorded on a millisecond time scale with a single subsaturating flash and yielded very similar signals for all three substrates. Because of its low background absorption around 265 nm and the defined structure, the novel substrate is a promising tool for fast and ultrafast transient absorption studies on pyrimidine dimer splitting by CPD photolyase. PMID:20000331

  12. 34 CFR 6.4 - Central records; confidentiality.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Education Office of the Secretary, Department of Education INVENTIONS AND PATENTS (GENERAL) § 6.4 Central records; confidentiality. Central files and records shall be maintained of all inventions, patents, and... Department under such patents. Invention reports required from employees or others for the purpose...

  13. 34 CFR 6.4 - Central records; confidentiality.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Education Office of the Secretary, Department of Education INVENTIONS AND PATENTS (GENERAL) § 6.4 Central records; confidentiality. Central files and records shall be maintained of all inventions, patents, and... Department under such patents. Invention reports required from employees or others for the purpose...

  14. 34 CFR 6.4 - Central records; confidentiality.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Education Office of the Secretary, Department of Education INVENTIONS AND PATENTS (GENERAL) § 6.4 Central records; confidentiality. Central files and records shall be maintained of all inventions, patents, and... Department under such patents. Invention reports required from employees or others for the purpose...

  15. 34 CFR 6.4 - Central records; confidentiality.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Education Office of the Secretary, Department of Education INVENTIONS AND PATENTS (GENERAL) § 6.4 Central records; confidentiality. Central files and records shall be maintained of all inventions, patents, and... Department under such patents. Invention reports required from employees or others for the purpose...

  16. 34 CFR 6.4 - Central records; confidentiality.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Education Office of the Secretary, Department of Education INVENTIONS AND PATENTS (GENERAL) § 6.4 Central records; confidentiality. Central files and records shall be maintained of all inventions, patents, and... Department under such patents. Invention reports required from employees or others for the purpose...

  17. 41 CFR 51-6.4 - Military resale commodities.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 1 2010-07-01 2010-07-01 true Military resale... PROCEDURES § 51-6.4 Military resale commodities. (a) Purchase procedures for ordering military resale commodities are available from the central nonprofit agencies. Authorized resale outlets (military...

  18. 41 CFR 51-6.4 - Military resale commodities.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 41 Public Contracts and Property Management 1 2011-07-01 2009-07-01 true Military resale... PROCEDURES § 51-6.4 Military resale commodities. (a) Purchase procedures for ordering military resale commodities are available from the central nonprofit agencies. Authorized resale outlets (military...

  19. Identification of Cyclobutane Pyrimidine Dimer-Responsive Genes Using UVB-Irradiated Human Keratinocytes Transfected with In Vitro-Synthesized Photolyase mRNA

    PubMed Central

    Boros, Gábor; Miko, Edit; Muramatsu, Hiromi; Weissman, Drew; Emri, Eszter; van der Horst, Gijsbertus T. J.; Szegedi, Andrea; Horkay, Irén; Emri, Gabriella; Karikó, Katalin; Remenyik, Éva

    2015-01-01

    Major biological effects of UVB are attributed to cyclobutane pyrimidine dimers (CPDs), the most common photolesions formed on DNA. To investigate the contribution of CPDs to UVB-induced changes of gene expression, a model system was established by transfecting keratinocytes with pseudouridine-modified mRNA (Ψ-mRNA) encoding CPD-photolyase. Microarray analyses of this model system demonstrated that more than 50% of the gene expression altered by UVB was mediated by CPD photolesions. Functional classification of the gene targets revealed strong effects of CPDs on the regulation of the cell cycle and transcriptional machineries. To confirm the microarray data, cell cycle-regulatory genes, CCNE1 and CDKN2B that were induced exclusively by CPDs were selected for further investigation. Following UVB irradiation, expression of these genes increased significantly at both mRNA and protein levels, but not in cells transfected with CPD-photolyase Ψ-mRNA and exposed to photoreactivating light. Treatment of cells with inhibitors of c-Jun N-terminal kinase (JNK) blocked the UVB-dependent upregulation of both genes suggesting a role for JNK in relaying the signal of UVB-induced CPDs into transcriptional responses. Thus, photolyase mRNA-based experimental platform demonstrates CPD-dependent and -independent events of UVB-induced cellular responses, and, as such, has the potential to identify novel molecular targets for treatment of UVB-mediated skin diseases. PMID:26121660

  20. Laser shock peening of titanium 6-4 alloy

    NASA Astrophysics Data System (ADS)

    Brar, N. S.; Hopkins, A.; Laber, M. W.

    2000-04-01

    Laser shock peening of titanium 6-4 has been shown to improve its high cycle fatigue life. Residual compressive stresses generated on the surface of titanium 6-4, as a result of laser shocking, have shown dramatic improvement in the performance of aircraft turbine blades. Laser shocking of titanium was carried out with a 20 ns pulse width, 50 joule pulsed laser, operated by LSP Technologies, Columbus, OH. Titanium disks, 20-mm in diameter, and ranging in thicknesses from zero (bare LiF) to 3-mm were subjected to laser shock to monitor amplitude and temporal stress profiles of the pulsed laser. Laser shock stress amplitudes on the back of titanium disks were monitored with VISAR using LiF as the window material. The peak shock stress produced in LiF (titanium thickness zero) was measured to be 16±1 GPa. The laser shock amplitude decays to about 2.7 GPa while propagating through 3-mm thick disk of titanium 6-4.

  1. Laser Shock Peening of Titanium 6-4 Alloy

    NASA Astrophysics Data System (ADS)

    Hopkins, Alan; Laber, Mark; Brar, Nachhatter S.

    1999-06-01

    shock 99 Laser shock peening of titanium 6-4 has been shown to improve its high cycle fatigue life. Residual compressive stresses generated on the surface of titanium 6-4, as a result of laser shocking, have shown dramatic improvement in the performance of aircraft turbine blades. Laser shocking of titanium was carried out with a 20 ns pulse width, 50 joule pulsed laser, operated by LSP Technologies, Columbus, OH. Disks of titanium, 0 to 3-mm thick and 20-mm in diameter, were subjected to the pulsed laser to monitor amplitude and temporal stress profiles of laser shock. Laser shock stress amplitudes on the back of titanium disks were monitored with VISAR using LiF as the window material. The peak shock stress produced in LiF (titanium thickness zero) was measured to be 16±1 GPa. The laser shock amplitude decays to about 2.6 GPa while propagating through 3-mm thick disk of titanium 6-4. *Supported by the U.S. Air Force Research Laboratory

  2. Crystal structure of (1S,3R,8R,10S)-2,2-di­chloro-10-hy­droxy-3,7,7,10-tetra­methyl­tri­cyclo­[6.4.0.01,3]dodecan-9-one

    PubMed Central

    Benzalim, Ahmed; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani

    2016-01-01

    The asymmetric unit of the title compound, C16H24Cl2O2, contains two independent mol­ecules (A and B) which are built from three fused rings, viz. a seven-membered heptane ring, a six-membered cyclo­hexyl ring bearing a ketone and an alcohol group, and a cyclo­propane ring bearing two Cl atoms. In the crystal, the two mol­ecules are linked via two O—H⋯O hydrogen bonds, forming an A–B dimer with an R 2 2(10) ring motif. The A mol­ecules of these dimers are linked via a C—H⋯O hydrogen bond, forming chains propagating along the a-axis direction. Both mol­ecules have the same absolute configuration, i.e. 1S,3R,8R,10S, which is based on the synthetic pathway and further confirmed by resonant scattering [Flack parameter = 0.03 (5)]. PMID:27308024

  3. Ultraviolet Light Inhibition of Phytochrome-Induced Flavonoid Biosynthesis and DNA Photolyase Formation in Mustard Cotyledons (Sinapis alba L.).

    PubMed Central

    Buchholz, G.; Ehmann, B.; Wellmann, E.

    1995-01-01

    In cotyledons of etiolated mustard (Sinapis alba L.) seedlings, phytochrome-far-red-absorbing form-induced flavonoid biosynthesis was found to be inhibited by short-term ultraviolet (UV) irradiations. UV inhibition was shown for the synthesis of quercetin, anthocyanin, and also for the accumulation of the mRNA for chalcone synthase, the key enzyme of this pathway. The UV effect was more pronounced on flavonoid biosynthesis, a process that selectively occurs in the epidermal layers, than on the synthesis of mRNA for chlorophyll a/b-binding protein localized in the mesophyll tissue. These UV inhibitory effects were accompanied by cyclobutane pyrimidine dimer (CPD) formation showing a linear fluence-response relationship. CPD formation and UV inhibition of flavonoid biosynthesis was found to be partially reversible by blue/UV-A light via DNA photolyase (PRE), allowing photoreactivation of the DNA by splitting of CPDs, which are the cause of the UV effect. Like flavonoid formation PRE was also induced by the far-red-absorbing form of phytochrome and induction was inhibited by UV. A potential risk of inhibition, in response to solar UV-B irradiation, was shown for anthocyanin formation. This inhibition, however, occurred only if photoreactivation was experimentally reduced. The PRE activity present in the etiolated seedlings (further increasing about 5-fold during light acclimatization) appears to be sufficient to prevent the persistence of CPDs even under conditions of high solar irradiation. PMID:12228467

  4. Characterization of the photolyase-like iron sulfur protein PhrB from Agrobacterium tumefaciens by Mössbauer spectroscopy

    NASA Astrophysics Data System (ADS)

    Bauer, T. O.; Graf, D.; Lamparter, T.; Schünemann, V.

    2014-04-01

    High field Mössbauer spectroscopy has been used to characterize the [4Fe-4S] 2 +cluster of the protein PhrB from Agrobacterium tumefaciens which belongs to the cryptochrome/photolyase family (CPF) and which biological function has previously been shown to be DNA repair. Mössbauer spectra taken of the as prepared protein reveal δ = 0. 42 mms - 1, and Δ E Q = 1. 26 mms - 1as well as an asymmetry parameter of η = 0. 8. These parameters are characteristic for a ferredoxin-type [4Fe-4S] 2 +cluster. In order to investigate whether this cluster is involved in DNA-repair the protein has also been studied in its photoactivated state during DNA binding. The so obtained data sets exhibit essentially the same Mössbauer parameters as those of the non-activated PhrB. This indicates that during DNA repair the [4Fe-4S] 2 +cluster of PhrB has no significant amounts of transition states which have conformational changes compared to the resting state of the protein and which have life times of several seconds or longer.

  5. The (6-4) Dimeric Lesion as a DNA Photosensitizer.

    PubMed

    Vendrell-Criado, Victoria; Rodríguez-Muñiz, Gemma M; Lhiaubet-Vallet, Virginie; Cuquerella, M Consuelo; Miranda, Miguel A

    2016-07-01

    Based on our previous investigations into the photophysical properties of the 5-methyl-2-pyrimidone (Pyo) chromophore, we now extend our studies to the photobehavior of the dimeric (6-4) thymine photoproducts (6-4 PP) to evaluate their capability to act as instrinsic DNA photosensitizers. The lesion presents significant absorption in the UVB/UVA region, weak fluorescence emission, a singlet-excited-state energy of approximately 351 kJ mol(-1) , and a triplet-excited-state energy of 297 kJ mol(-1) . Its triplet transient absorption has a maximum at 420-440 nm, a lifetime of around 7 μs, and a high formation quantum yield, ΦISC =0.86. This species is efficiently quenched by thymidine. Its DNA photosensitizing properties are demonstrated by a series of experiments run on a pBR322 plasmid. The lesion photoinduces both single-strand breaks and the formation of cyclobutane thymine dimers. Altogether, these results show that, the substitution of the pyrimidone ring at C4 by a 5-hydroxy-5,6-dihydrothymine does not cancel out the photosensitization properties of the chromophore. PMID:26990589

  6. 5,7-Dihydroxy-6,4'-dimeth-oxyflavone.

    PubMed

    Mou, Ming-Yue; Pi, Ke; Zhang, Qi-Long; Zhang, Yun-Qian; Zhang, Qian-Jun

    2007-01-01

    In the title compound, C(17)H(14)O(6), the benzopyran ring system is essentially planar and forms a dihedral angle of 6.84 (4)° with the other benzene ring. In the crystal structure, centrosymmetrically related mol-ecules are linked into dimers by O-H⋯O hydrogen bonds. The crystal packing is controlled by C-H⋯π and π-π stacking inter-actions involving the benzopyran and benzene rings, with centroid-centroid distances between 3.645 (2) and 3.986 (2) Å. PMID:21200948

  7. First characterisation of a CPD-class I photolyase from a UV-resistant extremophile isolated from High-Altitude Andean Lakes.

    PubMed

    Albarracín, Virginia Helena; Simon, Julian; Pathak, Gopal P; Valle, Lorena; Douki, Thierry; Cadet, Jean; Borsarelli, Claudio Darío; Farias, María Eugenia; Gärtner, Wolfgang

    2014-05-01

    UV-resistant Acinetobacter sp. Ver3 isolated from High-Altitude Andean Lakes (HAAL) in Argentinean Puna, one of the highest UV exposed ecosystems on Earth, showed efficient DNA photorepairing ability, coupled to highly efficient antioxidant enzyme activities in response to UV-B stress. We herein present the cloning, expression, and functional characterization of a cyclobutane pyrimidine dimer (CPD)-class I photolyase (Ver3Phr) from this extremophile to prove its involvement in the previously noted survival capability. Spectroscopy of the overexpressed and purified protein identified flavin adenine dinucleotide (FAD) and 5,10-methenyltetrahydrofolate (MTHF) as chromophore and antenna molecules, respectively. All functional analyses were performed in parallel with the ortholog E. coli photolyase. Whereas the E. coli enzyme showed the FAD chromophore as a mixture of oxidised and reduced states, the Ver3 chromophore always remained partly (including the semiquinone state) or fully reduced under all experimental conditions tested. Functional complementation of Ver3Phr in Phr(-)-RecA E. coli strains was assessed by traditional UFC counting and measurement of DNA bipyrimidine photoproducts by HPLC coupled with electrospray ionisation-tandem mass spectrometry (ESI-MS/MS) detection. The results identified strong photoreactivation ability in vivo of Ver3Phr while its nonphotoreactivation function, probably related with the stimulation of nucleotide excision repair (NER), was not as manifest as for EcPhr. Whether this is a question of the approach using an exogenous photolyase incorporated in a non-genuine host or a fundamental different behaviour of a novel enzyme from an exotic environment will need further studies. PMID:24637630

  8. Efficacy of a photolyase-based device in the treatment of cancerization field in patients with actinic keratosis and non-melanoma skin cancer.

    PubMed

    Puviani, M; Barcella, A; Milani, M

    2013-12-01

    Eryfotona AK-NMSC (ISDIN Spain) is a film-forming medical device in cream or fluid formulation containing the DNA-repair enzyme photolyase and high-protection UV filters in liposomes (repairsomes) indicated in the treatment of cancerization field in patients with actinic keratosis (AK) or non-melanoma skin cancer (NMSC). Photolyase is an enzyme that recognizes and directly repairs UV-induced DNA damage. The most common UV-induced DNA damage is the formation of cyclobutane pyrimidine dimers (CPD). Clinical studies evaluating the histological and cellular effects of Eryfotona AK-NMSC have shown a potential benefit in the treatment of the cancerization field in AK patients. In particular the use of Eryfotona AK-NMSC improves the confocal microscopic appearance of skin at the cancerization field level. In addition, Eryfotona AK-NMSC improves the p53 gene expression at keratinocyte level. In this study we reported a series of 6 cases of patients with AK or NMSC lesions treated with Eryfotona AK-NMSC fluid, both as coadjuvant and as single treatment, applied twice daily in the affected area with photograph documentation. Clinical photographs of the skin lesions at baseline and after Eryfotona AK-NMSC treatment were taken in all cases using a high-definition digital camera. Six patients with multiple AK lesions of the scalp or face with or without NMSC were treated for a mean of 1-3 months with Eryfotona AK-NMSC fluid formulation. Image documentations before and after treatment of this clinical series show a great improvement in AK lesions count and of cancerization field. This clinical series supports the clinical efficacy of the use of photolyase and high-protection UV filters in the treatment of cancerization field and AK lesions in patients with actinic damage. PMID:24442053

  9. Theoretical investigation of optical and paramagnetic resonance spectra of [NiF6]4- clusters with orthorhombic symmetry

    NASA Astrophysics Data System (ADS)

    Fang, Wang; Shao, Chang-Sheng; Cheng, Wen-De; Tang, Hai-Yan; Zheng, Wen-Chen

    2013-11-01

    The ground state absorption spectra of [NiF6]4- clusters with orthorhombic symmetry (Ni2+ in NiF2 crystal and Ni2+-doped ZnF2 crystal, D2h point group) are theoretically calculated and assigned by diagonalization of 45 × 45 complete energy matrix for 3d8 configuration and the spin-Hamiltonian (SH) parameters (zero-field splitting D and E, and g factors gx, gy, gz) are studied by use of high-order perturbation method, in the frame of semi-empirical molecular orbital (MO) scheme based on strong crystal field framework. In those energy matrix, all the configuration interactions though the cubic crystal field (CF), the orthorhombic crystal field, the Coulomb interaction are taken into account. The calculated results are in good agreement with the experimental data. The local structure (bond length and bond angle) of [NiF6]4- clusters are determined, and the results shows that the structure data given by Stout are more plausible than those given by Baur.

  10. Theoretical investigation of optical and paramagnetic resonance spectra of [NiF6](4-) clusters with orthorhombic symmetry.

    PubMed

    Fang, Wang; Shao, Chang-Sheng; Cheng, Wen-De; Tang, Hai-Yan; Zheng, Wen-Chen

    2013-11-01

    The ground state absorption spectra of [NiF6](4-) clusters with orthorhombic symmetry (Ni(2+) in NiF2 crystal and Ni(2+)-doped ZnF2 crystal, D2h point group) are theoretically calculated and assigned by diagonalization of 45×45 complete energy matrix for 3d(8) configuration and the spin-Hamiltonian (SH) parameters (zero-field splitting D and E, and g factors gx, gy, gz) are studied by use of high-order perturbation method, in the frame of semi-empirical molecular orbital (MO) scheme based on strong crystal field framework. In those energy matrix, all the configuration interactions though the cubic crystal field (CF), the orthorhombic crystal field, the Coulomb interaction are taken into account. The calculated results are in good agreement with the experimental data. The local structure (bond length and bond angle) of [NiF6](4-) clusters are determined, and the results shows that the structure data given by Stout are more plausible than those given by Baur. PMID:23871975

  11. Key dynamics of conserved asparagine in a cryptochrome/photolyase family protein by fourier transform infrared spectroscopy.

    PubMed

    Iwata, Tatsuya; Zhang, Yu; Hitomi, Kenichi; Getzoff, Elizabeth D; Kandori, Hideki

    2010-10-19

    Cryptochromes (Crys) and photolyases (Phrs) are flavoproteins that contain an identical cofactor (flavin adenine dinucleotide, FAD) within the same protein architecture but whose physiological functions are entirely different. In this study, we investigated light-induced conformational changes of a cyanobacterium Cry/Phr-like protein (SCry-DASH) with UV-visible and Fourier transform infrared (FTIR) spectroscopy. We developed a system for measuring light-induced difference spectra under the concentrated conditions. In the presence of a reducing agent, SCry-DASH showed photoreduction to the reduced form, and we identified a signal unique for an anionic form in the process. Difference FTIR spectra enabled us to assign characteristic FTIR bands to the respective redox forms of FAD. An asparagine residue, which anchors the FAD embedded within the protein, is conserved not only in the cyanobacterial protein but also in Phrs and other Crys, including the mammalian clock-related Crys. By characterizing an asparagine-to-cysteine (N392C) mutant of SCry-DASH, which mimics an insect specific Cry, we identified structural changes of the carbonyl group of this conserved asparagine upon light irradiation. We also found that the N392C mutant is stabilized in the anionic form. We did not observe a signal from protonated carboxylic acid residues during the reduction process, suggesting that the carboxylic acid moiety would not be directly involved as a proton donor to FAD in the system. These results are in contrast to plant specific Crys represented by Arabidopsis thaliana Cry1 that carry Asp at the position. We discuss potential roles for this conserved asparagine position and functional diversity in the Cry/Phr frame. PMID:20828134

  12. 41 CFR 302-6.4 - Am I eligible for a TQSE allowance?

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 41 Public Contracts and Property Management 4 2014-07-01 2014-07-01 false Am I eligible for a TQSE allowance? 302-6.4 Section 302-6.4 Public Contracts and Property Management Federal Travel Regulation System... EXPENSES 6-ALLOWANCE FOR TEMPORARY QUARTERS SUBSISTENCE EXPENSES General Rules § 302-6.4 Am I eligible...

  13. 41 CFR 302-6.4 - Am I eligible for a TQSE allowance?

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 41 Public Contracts and Property Management 4 2011-07-01 2011-07-01 false Am I eligible for a TQSE allowance? 302-6.4 Section 302-6.4 Public Contracts and Property Management Federal Travel Regulation System... EXPENSES 6-ALLOWANCE FOR TEMPORARY QUARTERS SUBSISTENCE EXPENSES General Rules § 302-6.4 Am I eligible...

  14. 41 CFR 302-6.4 - Am I eligible for a TQSE allowance?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 41 Public Contracts and Property Management 4 2010-07-01 2010-07-01 false Am I eligible for a TQSE allowance? 302-6.4 Section 302-6.4 Public Contracts and Property Management Federal Travel Regulation System... EXPENSES 6-ALLOWANCE FOR TEMPORARY QUARTERS SUBSISTENCE EXPENSES General Rules § 302-6.4 Am I eligible...

  15. 41 CFR 302-6.4 - Am I eligible for a TQSE allowance?

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 41 Public Contracts and Property Management 4 2012-07-01 2012-07-01 false Am I eligible for a TQSE allowance? 302-6.4 Section 302-6.4 Public Contracts and Property Management Federal Travel Regulation System... EXPENSES 6-ALLOWANCE FOR TEMPORARY QUARTERS SUBSISTENCE EXPENSES General Rules § 302-6.4 Am I eligible...

  16. 41 CFR 302-6.4 - Am I eligible for a TQSE allowance?

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 4 2013-07-01 2012-07-01 true Am I eligible for a TQSE allowance? 302-6.4 Section 302-6.4 Public Contracts and Property Management Federal Travel Regulation System... EXPENSES 6-ALLOWANCE FOR TEMPORARY QUARTERS SUBSISTENCE EXPENSES General Rules § 302-6.4 Am I eligible...

  17. Enzymatic Reaction with Unnatural Substrates: DNA Photolyase (Escherichia coli) Recognizes and Reverses Thymine [2+2] Dimers in the DNA Strand of a DNA/PNA Hybrid Duplex

    NASA Astrophysics Data System (ADS)

    Ramaiah, Danaboyina; Kan, Yongzhi; Koch, Troels; Orum, Henrik; Schuster, Gary B.

    1998-10-01

    Peptide nucleic acids (PNA) are mimics with normal bases connected to a pseudopeptide chain that obey Watson--Crick rules to form stable duplexes with itself and natural nucleic acids. This has focused attention on PNA as therapeutic or diagnostic reagents. Duplexes formed with PNA mirror some but not all properties of DNA. One fascinating aspect of PNA biochemistry is their reaction with enzymes. Here we show an enzyme reaction that operates effectively on a PNA/DNA hybrid duplex. A DNA oligonucleotide containing a cis, syn-thymine [2+2] dimer forms a stable duplex with PNA. The hybrid duplex is recognized by photolyase, and irradiation of the complex leads to the repair of the thymine dimer. This finding provides insight into the enzyme mechanism and provides a means for the selective repair of thymine photodimers.

  18. Characterization of the Saccharomyces cerevisiae sec6-4 mutation and tools to create S. cerevisiae strains containing the sec6-4 allele.

    PubMed

    Lamping, Erwin; Tanabe, Koichi; Niimi, Masakazu; Uehara, Yoshimasa; Monk, Brian C; Cannon, Richard D

    2005-11-21

    The highly conserved exocyst complex of eukaryotic cells allows the polarized transport and fusion of late secretory vesicles with the plasma membrane. In Saccharomyces cerevisiae the Sec6p component of the exocyst complex is essential for cell growth. The sec6-4 temperature-sensitive mutation of the S. cerevisiae SEC6 gene leads to the accumulation of large amounts of mature late post-Golgi secretory vesicles in the cytosol of mutant cells at the restrictive temperature of 37 degrees C. These readily isolated, inside-out and tightly sealed vesicles contain mature post-translationally modified plasma membrane and secretory proteins and provide a valuable tool for the study of plasma membrane protein function. This study shows that the single point mutation L633P in the SEC6 coding region defines the sec6-4 phenotype. We followed the localization of the wild type Sec6p and the mutant Sec6-4p proteins (C-terminally tagged with the green fluorescent protein yEGfp3p) in the presence or absence of heterologously over-expressed Candida albicans plasma membrane ATP-binding cassette (ABC) transporter CaCdr1p (C-terminally tagged with the red fluorescent protein mRfp1p). The Sec6-4p protein localized to buds and septa, like wild type Sec6p, at the permissive temperature of 23 degrees C and the sec6-4 mutant cells grew at the same rate as the wild type control cells. Sec6-4p was mislocalized at the restrictive temperature of 37 degrees C and heterogenous vesicles accumulated in cells but sec6-4 cells also accumulated homogenous secretory vesicles at the permissive temperature. PMID:16185821

  19. [Fe(CN)6]4- decorated mesoporous gelatin thin films for colorimetric detection and as sorbents of heavy metal ions.

    PubMed

    Shi, Li; Huang, Hubiao; Sun, Luwei; Lu, Yanping; Du, Binyang; Mao, Yiyin; Li, Junwei; Ye, Zhizhen; Peng, Xinsheng

    2013-09-28

    [Fe(CN)6](4-) decorated mesoporous gelatin films, acting as colorimetric sensors and sorbents for heavy metal ions, were prepared by incorporating [Fe(CN)6](4-) ions into the mesoporous gelatin films through electrostatic interaction. Gelatin-Prussian blue (PB) and gelatin-PB analogue composite films were successfully synthesized by immersing the [Fe(CN)6](4-) decorated gelatin films into aqueous solutions of metal ions, such as Fe(3+), Cu(2+), Co(2+), Pb(2+) and Cd(2+) (all as nitrates). The in situ formation process of PB or its analogues in the films was investigated using quartz crystal microbalance (QCM) measurements. According to the different colors of the PB nanoparticles and its analogues, the [Fe(CN)6](4-) decorated mesoporous gelatin films demonstrated colorimetric sensor abilities for detecting the corresponding metal ions by the naked eye with sufficient sensitivity at 1 ppm level and a quite short response time of 5 minutes. Moreover, due to the [Fe(CN)6](4-) functionality and other functional groups of gelatin itself, this [Fe(CN)6](4-) decorated mesoporous gelatin film shows a tens times higher adsorption ability for heavy metal ions in water than that of activated carbon. Due to both the efficient detection and high adsorption ability for heavy metal ions, this film has wide potential applications for the detection and purification of heavy metal ions from polluted water. PMID:23887280

  20. 36 CFR 6.4 - Solid waste disposal sites not in operation on September 1, 1984.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 36 Parks, Forests, and Public Property 1 2011-07-01 2011-07-01 false Solid waste disposal sites not in operation on September 1, 1984. 6.4 Section 6.4 Parks, Forests, and Public Property NATIONAL PARK SERVICE, DEPARTMENT OF THE INTERIOR SOLID WASTE DISPOSAL SITES IN UNITS OF THE NATIONAL PARK SYSTEM § 6.4 Solid waste disposal sites not...

  1. Spectroscopic characterization of titanium 6-4 surfaces after chemical pretreatments

    NASA Technical Reports Server (NTRS)

    Chen, W.; Siriwardane, R.; Wightman, J. P.

    1980-01-01

    Several techniques have been used to study pretreated Ti 6-4 surfaces including scanning electron microscopy (SEM), electron spectroscopy of chemical analysis (ESCA), and, reflectance visibile spectroscopy. Each pretreatment type gives a characteristic surface morphology as seen by SEM. Elemental analysis of the Ti 6-4 surfaces was done using ESCA. Trace residual contaminants from particular chemical pretreatments are identified readily. Reflectance visible spectroscopy using indicator dyes placed on Ti 6-4 surfaces appears to be a feasible approach to establish surface acidity. Differences in surface acidity have been observed using bromthymol blue on Ti 6-4 surfaces pretreated by two different methods.

  2. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ..., relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS....4 Proof of age, relationship and marriage. Whenever it is necessary for a claimant to prove age, relationship or marriage, the provisions of 38 U.S.C. 103(c) and Part 3 this chapter will be followed....

  3. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ..., relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS....4 Proof of age, relationship and marriage. Whenever it is necessary for a claimant to prove age, relationship or marriage, the provisions of 38 U.S.C. 103(c) and Part 3 this chapter will be followed....

  4. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ..., relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS....4 Proof of age, relationship and marriage. Whenever it is necessary for a claimant to prove age, relationship or marriage, the provisions of 38 U.S.C. 103(c) and Part 3 this chapter will be followed....

  5. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ..., relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS....4 Proof of age, relationship and marriage. Whenever it is necessary for a claimant to prove age, relationship or marriage, the provisions of 38 U.S.C. 103(c) and Part 3 this chapter will be followed....

  6. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ..., relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS....4 Proof of age, relationship and marriage. Whenever it is necessary for a claimant to prove age, relationship or marriage, the provisions of 38 U.S.C. 103(c) and Part 3 this chapter will be followed....

  7. 4,2':6',4''-Terpyridines: diverging and diverse building blocks in coordination polymers and metallomacrocycles.

    PubMed

    Housecroft, Catherine E

    2014-05-14

    4,2':6',4''-Terpyridine (4,2':6',4''-tpy) is one of the less well documented isomers of the well-established bis-chelating 2,2':6',2''-terpyridine. The N-donors of the outer rings in 4,2':6',4''-tpy subtend an angle of 120°, leading to a description of 4,2':6',4''-tpy as a divergent ligand. Because it typically binds metal ions through the outer N-donors only, 4,2':6',4''-tpy is an ideal linker for combination with metal nodes (often geometrically flexible d(10) ions) in coordination polymers and metallomacrocyclic complexes. The facile functionalization of terpyridines in the 4'-position allows access to a suite of 4'-X-4,2':6',4''-tpy ligands in which the 4'-substituent, X, can be selected to assist in directing the metal-ligand assembly process. This overview of recent advances in the chemistry of 4,2':6',4''-tpy and its 4'-substituted derivatives looks at relationships within a series of chiral polymers, competition between the formation of metallocyclic complexes versus polymers, and the use of extended aryl systems to encourage the formation of coordination polymers in which π-stacking of arene domains dominates in the assembly process. Use of metal(ii) acetates is key to the formation of paddle-wheel and larger cluster nodes that direct the assembly of both predetermined and unexpected architectures. PMID:24522847

  8. Molecular analysis of plasmid DNA repair within ultraviolet-irradiated Escherichia coli. II. UvrABC-initiated excision repair and photolyase-catalyzed dimer monomerization

    SciTech Connect

    Gruskin, E.A.; Lloyd, R.S.

    1988-09-05

    In this study, a novel approach to the analysis of DNA repair in Escherichia coli was employed which allowed the first direct determination of the mechanisms by which endogenous DNA repair enzymes encounter target sites in vivo. An in vivo plasmid DNA repair analysis was employed to discriminate between two possible mechanisms of target site location: a processive DNA scanning mechanism or a distributive random diffusion mechanism. The results demonstrate that photolyase acts by a distributive mechanism within E. coli. In contrast, UvrABC-initiated excision repair occurs by a limited processive DNA scanning mechanism. A majority of the dimer sites on a given plasmid molecule were repaired prior to the dissociation of the UvrABC complex. Furthermore, plasmid DNA repair catalyzed by the UvrABC complex occurs without a detectable accumulation of nicked plasmid intermediates despite the fact that the UvrABC complex generates dual incisions in the DNA at the site of a pyrimidine dimer. Therefore, the binding or assembly of the UvrABC complex on DNA at the site of a pyrimidine dimer represents the rate-limiting step in the overall process of UvrABC-initiated excision repair in vivo.

  9. An investigation of adhesive/adherend and fiber matrix interactions. [Ti 6-4 surfaces

    NASA Technical Reports Server (NTRS)

    Beck, B.; Siriwardane, R.; Wightman, J. P.

    1981-01-01

    Research during the report period focused on continued scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) of lap shear samples and flatwise tensile specimens and on the surface characterization of TiO2, Ti 6-4, and Ti powders with particular emphasis on their interaction with primer solutions of both polyphenylquinoxaline and LaRC-13 polyimide. The use of SEM and XPS in the analysis of Ti 6-4 adherend surfaces is described as well as differences in Ti 6-4 surface composition after different chemical pretreatments. Analysis of fractured surfaces is used to established the failure mode. The surface acidity of Ti 6-4 coupons can be established by reflectance visible spectroscopy using indicator dyes.

  10. Photochemistry of Wild-Type and N378D Mutant E. coli DNA Photolyase with Oxidized FAD Cofactor Studied by Transient Absorption Spectroscopy.

    PubMed

    Müller, Pavel; Brettel, Klaus; Grama, Laszlo; Nyitrai, Miklos; Lukacs, Andras

    2016-05-01

    DNA photolyases (PLs) and evolutionarily related cryptochrome (CRY) blue-light receptors form a widespread superfamily of flavoproteins involved in DNA photorepair and signaling functions. They share a flavin adenine dinucleotide (FAD) cofactor and an electron-transfer (ET) chain composed typically of three tryptophan residues that connect the flavin to the protein surface. Four redox states of FAD are relevant for the various functions of PLs and CRYs: fully reduced FADH(-) (required for DNA photorepair), fully oxidized FADox (blue-light-absorbing dark state of CRYs), and the two semireduced radical states FAD(.-) and FADH(.) formed in ET reactions. The PL of Escherichia coli (EcPL) has been studied for a long time and is often used as a reference system; however, EcPL containing FADox has so far not been investigated on all relevant timescales. Herein, a detailed transient absorption study of EcPL on timescales from nanoseconds to seconds after excitation of FADox is presented. Wild-type EcPL and its N378D mutant, in which the asparagine facing the N5 of the FAD isoalloxazine is replaced by aspartic acid, known to protonate FAD(.-) (formed by ET from the tryptophan chain) in plant CRYs in about 1.5 μs, are characterized. Surprisingly, the mutant protein does not show this protonation. Instead, FAD(.-) is converted in 3.3 μs into a state with spectral features that are different from both FADH(.) and FAD(.-) . Such a conversion does not occur in wild-type EcPL. The chemical nature and formation mechanism of the atypical FAD radical in N378D mutant EcPL are discussed. PMID:26852903

  11. Dynamically Complex [6+4] and [4+2] Cycloadditions in the Biosynthesis of Spinosyn A.

    PubMed

    Patel, Ashay; Chen, Zhuo; Yang, Zhongyue; Gutiérrez, Osvaldo; Liu, Hung-Wen; Houk, K N; Singleton, Daniel A

    2016-03-23

    SpnF, an enzyme involved in the biosynthesis of spinosyn A, catalyzes a transannular Diels-Alder reaction. Quantum mechanical computations and dynamic simulations now show that this cycloaddition is not well described as either a concerted or stepwise process, and dynamical effects influence the identity and timing of bond formation. The transition state for the reaction is ambimodal and leads directly to both the observed Diels-Alder and an unobserved [6+4] cycloadduct. The potential energy surface bifurcates and the cycloadditions occur by dynamically stepwise modes featuring an "entropic intermediate". A rapid Cope rearrangement converts the [6+4] adduct into the observed [4+2] adduct. Control of nonstatistical dynamical effects may serve as another way by which enzymes control reactions. PMID:26909570

  12. Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4

    PubMed Central

    Liang, Lianming; Sun, Yuna; Huang, Jingwen; Li, Xuemei; Cao, Yi; Meng, Zhaohui; Zhang, Ke-Qin

    2011-01-01

    Microbial ferulic acid decarboxylase (FADase) catalyzes the transformation of ferulic acid to 4-hydroxy-3-methoxystyrene (4-vinylguaiacol) via non-oxidative decarboxylation. Here we report the crystal structures of the Enterobacter sp. Px6-4 FADase and the enzyme in complex with substrate analogues. Our analyses revealed that FADase possessed a half-opened bottom β-barrel with the catalytic pocket located between the middle of the core β-barrel and the helical bottom. Its structure shared a high degree of similarity with members of the phenolic acid decarboxylase (PAD) superfamily. Structural analysis revealed that FADase catalyzed reactions by an “open-closed” mechanism involving a pocket of 8×8×15 Å dimension on the surface of the enzyme. The active pocket could directly contact the solvent and allow the substrate to enter when induced by substrate analogues. Site-directed mutagenesis showed that the E134A mutation decreased the enzyme activity by more than 60%, and Y21A and Y27A mutations abolished the enzyme activity completely. The combined structural and mutagenesis results suggest that during decarboxylation of ferulic acid by FADase, Trp25 and Tyr27 are required for the entering and proper orientation of the substrate while Glu134 and Asn23 participate in proton transfer. PMID:21283705

  13. Single Chirality (6,4) Single-Walled Carbon Nanotubes for Fluorescence Imaging with Silicon Detectors.

    PubMed

    Antaris, Alexander L; Yaghi, Omar K; Hong, Guosong; Diao, Shuo; Zhang, Bo; Yang, Jiang; Chew, Leila; Dai, Hongjie

    2015-12-16

    Postsynthetic single-walled carbon nanotube (SWCNT) sorting methods such as density gradient ultracentrifugation, gel chromatography, and electrophoresis have all been inspired by established biochemistry separation techniques designed to separate subcellular components. Biochemistry separation techniques have been refined to the degree that parameters such as pH, salt concentration, and temperature are necessary for a successful separation, yet these conditions are only now being applied to SWCNT separation methodologies. Slight changes in pH produce radically different behaviors of SWCNTs inside a density gradient, allowing for the facile separation of ultrahigh purity (6,4) SWCNTs from as-synthesized carbon nanotubes. The (6,4) SWCNTs are novel fluorophores emitting below ≈900 nm and can be easily detected with conventional silicon-based charge-coupled device detectors without the need for specialized InGaAs cameras. The (6,4) SWCNTs are used to demonstrate their potential as a clinically relevant NIR-I fluorescence stain for the immunohistochemical staining of cells and cancer tissue sections displaying high endothelial growth factor receptor levels. PMID:26529611

  14. Enhancement of the catalytic activity of ferulic acid decarboxylase from Enterobacter sp. Px6-4 through random and site-directed mutagenesis.

    PubMed

    Lee, Hyunji; Park, Jiyoung; Jung, Chaewon; Han, Dongfei; Seo, Jiyoung; Ahn, Joong-Hoon; Chong, Youhoon; Hur, Hor-Gil

    2015-11-01

    The enzyme ferulic acid decarboxylase (FADase) from Enterobacter sp. Px6-4 catalyzes the decarboxylation reaction of lignin monomers and phenolic compounds such as p-coumaric acid, caffeic acid, and ferulic acid into their corresponding 4-vinyl derivatives, that is, 4-vinylphenol, 4-vinylcatechol, and 4-vinylguaiacol, respectively. Among various ferulic acid decarboxylase enzymes, we chose the FADase from Enterobacter sp. Px6-4, whose crystal structure is known, and produced mutants to enhance its catalytic activity by random and site-directed mutagenesis. After three rounds of sequential mutations, FADase(F95L/D112N/V151I) showed approximately 34-fold higher catalytic activity than wild-type for the production of 4-vinylguaiacol from ferulic acid. Docking analyses suggested that the increased activity of FADase(F95L/D112N/V151I) could be due to formation of compact active site compared with that of the wild-type FADase. Considering the amount of phenolic compounds such as lignin monomers in the biomass components, successfully bioengineered FADase(F95L/D112N/V151I) from Enterobacter sp. Px6-4 could provide an ecofriendly biocatalytic tool for producing diverse styrene derivatives from biomass. PMID:26059194

  15. 4-(4-fluoro-3-phenoxyphenyl)-6-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile and the 6-(4-methylphenyl)- analogue.

    PubMed

    Chopra, Deepak; Mohan, T P; Vishalakshi, B; Guru Row, T N

    2006-09-01

    The crystal structures of the title compounds, viz. C24H14F2N2O2, (I), and C25H17FN2O2, (II), respectively, have been determined in order to unravel the role of an ordered F atom in generating stable supramolecular assemblies. On changing the substitution from fluorine to a methyl group, C-H...F interactions are replaced by C-H...pi interactions, revealing the importance of such weak interactions when present alongside N-H...O and C-H...O hydrogen bonds. The dihedral angle between the planes of the 4-fluorophenyl ring and the pyridine ring is 26.8 (1) degrees in (I), while that between the planes of the 4-methylphenyl and pyridine rings is 29.5 (1) degrees in (II). PMID:16954636

  16. SKW 6.4 cell differentiation induced by interleukin 6 is stimulated by butyrate.

    PubMed

    Kawamoto, T; Gohda, E; Iji, H; Fujiwara, M; Yamamoto, I

    1998-08-01

    We investigated if sodium butyrate (NaBu), an inhibitor of histone deacetylase, and its analogs modulate cytokine-induced differentiation of the human B cell line SKW 6.4 transformed by the Epstein-Barr virus. NaBu markedly enhanced interleukin (IL)-6-induced IgM production with an accompanying increase in the level of histone H4 acetylation and augmented IgM production induced by IL-4 and phorbol 12-myristate 13-acetate. From both the enhancing effect of cell differentiation and the effect of inducing histone hyperacetylation in SKW 6.4 cells, other histone deacetylase inhibitors and NaBu analogs were divided into three groups: those that increased both IL-6-induced antibody production and histone acetylation, those that caused histone hyperacetylation, but failed to induce the differentiation, and those that were ineffective at inducing either activity. No agent that enhanced IgM production without inducing histone hyperacetylation was found among the inhibitors and analogs we tested. These results suggest that the increase in the histone acetylation is necessary, but it is insufficient to augment differentiation of SKW 6.4 cells. Thus another activity of NaBu in addition to the inhibition of histone deacetylase may be involved in promoting IL-6-induced differentiation. Our results also suggest that fatty acids that have a straight chain of four carbon atoms or are branched with four and five carbon atoms, which contain no hydrophilic substituents, or those with similar structures, show this other activity. PMID:9826026

  17. CFL3D Version 6.4-General Usage and Aeroelastic Analysis

    NASA Technical Reports Server (NTRS)

    Bartels, Robert E.; Rumsey, Christopher L.; Biedron, Robert T.

    2006-01-01

    This document contains the course notes on the computational fluid dynamics code CFL3D version 6.4. It is intended to provide from basic to advanced users the information necessary to successfully use the code for a broad range of cases. Much of the course covers capability that has been a part of previous versions of the code, with material compiled from a CFL3D v5.0 manual and from the CFL3D v6 web site prior to the current release. This part of the material is presented to users of the code not familiar with computational fluid dynamics. There is new capability in CFL3D version 6.4 presented here that has not previously been published. There are also outdated features no longer used or recommended in recent releases of the code. The information offered here supersedes earlier manuals and updates outdated usage. Where current usage supersedes older versions, notation of that is made. These course notes also provides hints for usage, code installation and examples not found elsewhere.

  18. A 6.4 kV pulse generator with transformers

    NASA Astrophysics Data System (ADS)

    Bastein, W. L.

    The possibility of producing a 6.4 kV voltage pulse using transformers was investigated. The pulse has to have a rise and fall time of 100 ns, a pulse duration of 2 to 50 microns, a repetition frequency of 2500 Hz, and a ripple of less than 10 V. It is shown that it is in principle possible, using transformers for the low frequency and high frequency parts of the pulse, to produce a pulse which fulfills the slope requirements. However, it is difficult to make and tune the circuits to flatten the pulse sufficiently. The losses are so high that it is recommended to investigate the possibility of producing the pulse with a number of MOSFET's in series.

  19. High efficiency antireflection coating in MWIR region (3.6-4.9 μm) simultaneously effective for Germanium and Silicon optics

    NASA Astrophysics Data System (ADS)

    Bhatt, Meenakshi; Nautiyal, B. B.; Bandyopadhyay, P. K.

    2010-01-01

    Antireflection coatings have critical importance in thermal imaging system working in MWIR region (3-5 μm) since optics of high refractive index materials are used. Germanium (Ge) and Silicon (Si) optics are used extensively in the MWIR thermal systems. In this paper a study has been carried out on the design and fabrication of multi-substrate antireflection coating effective for Germanium and Silicon optics in MWIR (3.6-4.9 μm) region. The wave band 3.6-4.9 μm is chosen for the reported work because detector system used in MWIR region has a band selection filter effective in the same wavelength region and atmospheric transmission window in MWIR region is effective in 3-5 μm spectral band. Comprehensive search method was used to design the multilayer stack on the substrate. The coating materials used in the design were Germanium (Ge), Hafnium oxide (HfO 2) and Y-Ba-Fluoride (IR-F625). The fabrication of coating was made in a coating plant fitted with Cryo pump system and residual gas analyzer (RGA). The evaporation was carried out at high vacuum (2-6 × 10 -6 mbar) with the help of electron beam gun system and layer thicknesses were measured with crystal monitor. The result achieved for the antireflection coating was 98.5% average transmission in 3.6-4.9 μm band for Germanium and Silicon optics. This work will be helpful in reducing the plant operation time, material and power consumption, as two different kinds of optics are simultaneously coated in a single coating cycle.

  20. Fatigue Behavior of Ti-6-4 Alloy with Application of Calcium Phosphate

    NASA Astrophysics Data System (ADS)

    Kamboj, Jaspal Singh

    It is key to consider a material's mechanical properties when determining its use for any given application, including biomaterial implantations. One such characteristic includes the fatigue life, which is determined by repeatedly cycling specified amounts of load on any given material. The fatigue life is then measured according to how many cycles of load the material can undergo before fracture. When a material is introduced to the human body it is usually expected that the life of the material will not match that of the patient. It is crucial to understand the fatigue life of the material before implantation to pre-diagnose how often and when the implant will need to be replaced. The purpose of this project is to help determine and compare the fatigue behaviors of a commonly used biocompatible coating on Titanium 6-4 metal alloy. The comparison will help identify how the material properties vary with the addition of calcium phosphate when compared to the bare alloy itself. Multiple, small rectangular samples were cut by electrical discharge machining (EDM) of which half were covered with calcium phosphate coating. Fatigue crack initiations and propagation would then be analyzed using scanning electron microscopy (SEM) to help determine the nature of the damage processes. It was found that the fatigue life of the coated samples varied at different stresses but was greater than the bare samples, and particularly high in the 900 MPa - 1000 MPa stress range.

  1. Asperity break after 12 years: The Mw6.4 2015 Lefkada (Greece) earthquake

    NASA Astrophysics Data System (ADS)

    Sokos, E.; Zahradník, J.; Gallovič, F.; Serpetsidaki, A.; Plicka, V.; Kiratzi, A.

    2016-06-01

    The Mw6.4 earthquake sequence of 2015 in western Greece is analyzed using seismic data. Multiple point source modeling, nonlinear slip patch, and linear slip inversions reveal a coherent rupture image with directivity toward the southwest and several moment release episodes, reflected in the complex aftershock distribution. The key feature is that the 2015 earthquake ruptured a strong asperity, which was left unbroken in between two large subevents of the Mw6.2 Lefkada doublet in 2003. This finding and the well-analyzed Cephalonia earthquake sequence of 2014 provide strong evidence of segmentation of the major dextral Cephalonia-Lefkada Transform Fault (CTF), being related to extensional duplex transform zones. We propose that the duplexes extend farther to the north and that the CTF runs parallel to the western coast of Lefkada and Cephalonia Islands, considerably closer to the inhabited islands than previously thought. Generally, this study demonstrates faulting complexity across short time scales (earthquake doublets) and long time scales (seismic gaps).

  2. High-power MIXSEL: an integrated ultrafast semiconductor laser with 6.4 W average power.

    PubMed

    Rudin, B; Wittwer, V J; Maas, D J H C; Hoffmann, M; Sieber, O D; Barbarin, Y; Golling, M; Südmeyer, T; Keller, U

    2010-12-20

    High-power ultrafast lasers are important for numerous industrial and scientific applications. Current multi-watt systems, however, are based on relatively complex laser concepts, for example using additional intracavity elements for pulse formation. Moving towards a higher level of integration would reduce complexity, packaging, and manufacturing cost, which are important requirements for mass production. Semiconductor lasers are well established for such applications, and optically-pumped vertical external cavity surface emitting lasers (VECSELs) are most promising for higher power applications, generating the highest power in fundamental transverse mode (>20 W) to date. Ultrashort pulses have been demonstrated using passive modelocking with a semiconductor saturable absorber mirror (SESAM), achieving for example 2.1-W average power, sub-100-fs pulse duration, and 50-GHz pulse repetition rate. Previously the integration of both the gain and absorber elements into a single wafer was demonstrated with the MIXSEL (modelocked integrated external-cavity surface emitting laser) but with limited average output power (<200 mW). We have demonstrated the power scaling concept of the MIXSEL using optimized quantum dot saturable absorbers in an antiresonant structure design combined with an improved thermal management by wafer removal and mounting of the 8-µm thick MIXSEL structure directly onto a CVD-diamond heat spreader. The simple straight cavity with only two components has generated 28-ps pulses at 2.5-GHz repetition rate and an average output power of 6.4 W, which is higher than for any other modelocked semiconductor laser. PMID:21197032

  3. Diaquabis-(thio-cyanato-κN)bis[6-(4H-1,2,4-triazol-4-yl-κN(1))pyridin-2-amine]-cadmium.

    PubMed

    Liu, Yuan-Yuan; Yang, Pan; Ding, Bin

    2012-08-01

    In the title compound, [Cd(NCS)(2)(C(7)H(7)N(5))(2)(H(2)O)(2)], the Cd(II) cation lies on an inversion center and is coordinated by the N atoms of two thiocyanate anions, by N atoms of two 6-(4H-1,2,4-triazol-4-yl)pyridin-2-amine ligands and by the O atoms of two water molecules in a distorted N(4)O(2) octa-hedral geometry. The dihedral angle between the triazole and pyridine rings is 23.15 (12)°. In the crystal, mol-ecules are linked by N-H⋯N and O-H⋯S hydrogen bonds. Offset π-π stacking between parallel pyridine rings of adjacent mol-ecules is also observed, the centroid-centroid distance being 3.6319 (14) Å. PMID:22904754

  4. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  5. A TeGM6-4r antigen-based immunochromatographic test (ICT) for animal trypanosomosis.

    PubMed

    Nguyen, Thu-Thuy; Ruttayaporn, Ngasaman; Goto, Yasuyuki; Kawazu, Shin-ichiro; Sakurai, Tatsuya; Inoue, Noboru

    2015-11-01

    Animal trypanosomosis is a disease that is distributed worldwide which results in huge economic losses due to reduced animal productivity. Endemic regions are often located in the countryside where laboratory diagnosis is costly or inaccessible. The establishment of simple, effective, and accurate field tests is therefore of great interest to the farming and veterinary sectors. Our study aimed to develop a simple, rapid, and sensitive immunochromatographic test (ICT) for animal trypanosomosis utilizing the recombinant tandem repeat antigen TeGM6-4r, which is conserved amongst salivarian trypanosome species. In the specificity analysis, TeGM6-4r/ICT detected all of Trypanosoma evansi-positive controls from experimentally infected water buffaloes. As expected, uninfected controls tested negative. All sera samples collected from Tanzanian and Ugandan cattle that were Trypanosoma congolense- and/or Trypanosoma vivax-positive by microscopic examination of the buffy coat were found to be positive by the newly developed TeGM6-4r/ICT, which was comparable to results from TeGM6-4r/ELISA (kappa coefficient [κ] = 0.78). TeGM6/ICT also showed substantial agreement with ELISA using Trypanosoma brucei brucei (κ = 0.64) and T. congolense (κ = 0.72) crude antigen, suggesting the high potential of TeGM6-4r/ICT as a field diagnostic test, both for research purposes and on-site diagnosis of animal trypanosomosis. PMID:26290217

  6. Synthesis, molecular docking and biological evaluation of novel 6-(4-(4-aminophenylsulfonyl)phenylamino)-5H-benzo[a]phenothiazin-5-one derivatives

    NASA Astrophysics Data System (ADS)

    Ravichandiran, Palanisamy; Athinarayanan, Jegan; Premnath, Dhanaraj; Periasamy, Vaiyapuri Subbarayan; Alshatwi, Ali A.; Vasanthkumar, Samuel

    2015-03-01

    A novel series of 6-(4-(4-aminophenylsulfonyl)phenylamino)-5H-benzo[a]phenothiazin-5-one derivatives have been synthesized and examined for their in vitro antibacterial activity against a panel of Gram-positive and Gram-negative bacteria. Among these, N-(4-(4-(5-oxo-5H-benzo[a]phenothiazin-6-ylamino)phenylsulfonyl)phenyl)-3,5-bis(trifluoromethyl)benzamide (3n) (0.4 μg/mL) and 4-ethyl-N-(4-(4-(5-oxo-5H-benzo[a]phenothiazin-6-ylamino)phenylsulfonyl)phenyl)benzamide (3l) (0.6 μg/mL) systems exhibited a potent inhibitory activity against Gram-positive organism Bacillus subtilis, when compare to the other synthesized compounds. Sparfloxacin (9.76 μg/mL), Norfloxacin (no activity) were employed as the standard drugs. An evaluation of the cytotoxicity of the title compounds (1, 2, 3a-n) revealed that they displayed low toxicity (26-115 mg/L) against cervical cancer cell line (SiHa). The results of these studies suggest that, phenothiazin-5-one derivatives are interesting binding agents for the development of new Gram-positive and Gram-negative antibacterial agents. To understand the interactions with protein receptors, docking simulation was done with crystal structures of B.subtilis (YmaH) and histone deacetylase (HDAC8) to determine the probable binding conformation.

  7. Synthesis, molecular docking and biological evaluation of novel 6-(4-(4-aminophenylsulfonyl)phenylamino)-5H-benzo[a]phenothiazin-5-one derivatives.

    PubMed

    Ravichandiran, Palanisamy; Athinarayanan, Jegan; Premnath, Dhanaraj; Periasamy, Vaiyapuri Subbarayan; Alshatwi, Ali A; Vasanthkumar, Samuel

    2015-03-15

    A novel series of 6-(4-(4-aminophenylsulfonyl)phenylamino)-5H-benzo[a]phenothiazin-5-one derivatives have been synthesized and examined for their in vitro antibacterial activity against a panel of Gram-positive and Gram-negative bacteria. Among these, N-(4-(4-(5-oxo-5H-benzo[a]phenothiazin-6-ylamino)phenylsulfonyl)phenyl)-3,5-bis(trifluoromethyl)benzamide (3n) (0.4 μg/mL) and 4-ethyl-N-(4-(4-(5-oxo-5H-benzo[a]phenothiazin-6-ylamino)phenylsulfonyl)phenyl)benzamide (3l) (0.6 μg/mL) systems exhibited a potent inhibitory activity against Gram-positive organism Bacillus subtilis, when compare to the other synthesized compounds. Sparfloxacin (9.76 μg/mL), Norfloxacin (no activity) were employed as the standard drugs. An evaluation of the cytotoxicity of the title compounds (1, 2, 3a-n) revealed that they displayed low toxicity (26-115 mg/L) against cervical cancer cell line (SiHa). The results of these studies suggest that, phenothiazin-5-one derivatives are interesting binding agents for the development of new Gram-positive and Gram-negative antibacterial agents. To understand the interactions with protein receptors, docking simulation was done with crystal structures of B.subtilis (YmaH) and histone deacetylase (HDAC8) to determine the probable binding conformation. PMID:25576946

  8. Crystallization and preliminary X-ray analysis of cryptochrome 3 from Arabidopsis thaliana

    SciTech Connect

    Pokorny, Richard; Klar, Tobias; Essen, Lars-Oliver; Batschauer, Alfred

    2005-10-01

    Recombinant cryptochrome 3 from A. thaliana with FAD and MTHF cofactors has been crystallized using the hanging-drop vapour-diffusion technique in the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1} and X-ray diffraction data were collected to 1.9 Å resolution. Cryptochromes are flavoproteins which serve as blue-light receptors in plants, animals, fungi and prokaryotes and belong to the same protein family as the catalytically active DNA photolyases. Cryptochrome 3 from the plant Arabidopsis thaliana (cry3; 525 amino acids, 60.7 kDa) is a representative of the novel cryDASH subfamily of UV-A/blue-light receptors and has been expressed as a mature FAD-containing protein in Escherichia coli without the signal sequence that directs the protein into plant organelles. The purified cryptochrome was found to be complexed to methenyltetrahydrofolate as an antenna pigment. Crystals of the cryptochrome–antenna pigment complex were obtained by vapour diffusion and display orthorhombic symmetry, with unit-cell parameters a = 76.298, b = 116.782, c = 135.024 Å. X-ray diffraction data were collected to 1.9 Å resolution using synchrotron radiation. The asymmetric unit comprises a cry3 dimer, the physiological role of which remains to be elucidated.

  9. Crystal Systems.

    ERIC Educational Resources Information Center

    Schomaker, Verner; Lingafelter, E. C.

    1985-01-01

    Discusses characteristics of crystal systems, comparing (in table format) crystal systems with lattice types, number of restrictions, nature of the restrictions, and other lattices that can accidently show the same metrical symmetry. (JN)

  10. Parameterization of Highly Charged Metal Ions Using the 12-6-4 LJ-Type Nonbonded Model in Explicit Water

    PubMed Central

    2015-01-01

    Highly charged metal ions act as catalytic centers and structural elements in a broad range of chemical complexes. The nonbonded model for metal ions is extensively used in molecular simulations due to its simple form, computational speed, and transferability. We have proposed and parametrized a 12-6-4 LJ (Lennard-Jones)-type nonbonded model for divalent metal ions in previous work, which showed a marked improvement over the 12-6 LJ nonbonded model. In the present study, by treating the experimental hydration free energies and ion–oxygen distances of the first solvation shell as targets for our parametrization, we evaluated 12-6 LJ parameters for 18 M(III) and 6 M(IV) metal ions for three widely used water models (TIP3P, SPC/E, and TIP4PEW). As expected, the interaction energy underestimation of the 12-6 LJ nonbonded model increases dramatically for the highly charged metal ions. We then parametrized the 12-6-4 LJ-type nonbonded model for these metal ions with the three water models. The final parameters reproduced the target values with good accuracy, which is consistent with our previous experience using this potential. Finally, tests were performed on a protein system, and the obtained results validate the transferability of these nonbonded model parameters. PMID:25145273

  11. Effect of Electron Beam Freeform Fabrication (EBF3) Processing Parameters on Composition of Ti-6-4

    NASA Technical Reports Server (NTRS)

    Lach, Cynthia L.; Taminger, Karen; Schuszler, A. Bud, II; Sankaran, Sankara; Ehlers, Helen; Nasserrafi, Rahbar; Woods, Bryan

    2007-01-01

    The Electron Beam Freeform Fabrication (EBF3) process developed at NASA Langley Research Center was evaluated using a design of experiments approach to determine the effect of processing parameters on the composition and geometry of Ti-6-4 deposits. The effects of three processing parameters: beam power, translation speed, and wire feed rate, were investigated by varying one while keeping the remaining parameters constant. A three-factorial, three-level, fully balanced mutually orthogonal array (L27) design of experiments approach was used to examine the effects of low, medium, and high settings for the processing parameters on the chemistry, geometry, and quality of the resulting deposits. Single bead high deposits were fabricated and evaluated for 27 experimental conditions. Loss of aluminum in Ti-6-4 was observed in EBF3 processing due to selective vaporization of the aluminum from the sustained molten pool in the vacuum environment; therefore, the chemistries of the deposits were measured and compared with the composition of the initial wire and base plate to determine if the loss of aluminum could be minimized through careful selection of processing parameters. The influence of processing parameters and coupling between these parameters on bulk composition, measured by Direct Current Plasma (DCP), local microchemistries determined by Wavelength Dispersive Spectrometry (WDS), and deposit geometry will also be discussed.

  12. Monomial Crystals and Partition Crystals

    NASA Astrophysics Data System (ADS)

    Tingley, Peter

    2010-04-01

    Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

  13. Construction and Analysis of Photolyase Mutants of Pseudomonas aeruginosa and Pseudomonas syringae: Contribution of Photoreactivation, Nucleotide Excision Repair, and Mutagenic DNA Repair to Cell Survival and Mutability following Exposure to UV-B Radiation

    PubMed Central

    Kim, Jae J.; Sundin, George W.

    2001-01-01

    Based on nucleotide sequence homology with the Escherichia coli photolyase gene (phr), the phr sequence of Pseudomonas aeruginosa PAO1 was identified from the genome sequence, amplified by PCR, cloned, and shown to complement a known phr mutation following expression in Escherichia coli SY2. Stable, insertional phr mutants containing a tetracycline resistance gene cassette were constructed in P. aeruginosa PAO1 and P. syringae pv. syringae FF5 by homologous recombination and sucrose-mediated counterselection. These mutants showed a decrease in survival compared to the wild type of as much as 19-fold after irradiation at UV-B doses of 1,000 to 1,550 J m−2 followed by a recovery period under photoreactivating conditions. A phr uvrA mutant of P. aeruginosa PAO1 was markedly sensitive to UV-B irradiation exhibiting a decrease in survival of 6 orders of magnitude following a UV-B dose of 250 J m−2. Complementation of the phr mutations in P. aeruginosa PAO1 and P. syringae pv. syringae FF5 using the cloned phr gene from strain PAO1 resulted in a restoration of survival following UV-B irradiation and recovery under photoreactivating conditions. The UV-B survival of the phr mutants could also be complemented by the P. syringae mutagenic DNA repair determinant rulAB. Assays for increases in the frequency of spontaneous rifampin-resistant mutants in UV-B-irradiated strains containing rulAB indicated that significant UV-B mutability (up to a 51-fold increase compared to a nonirradiated control strain) occurred even in the wild-type PAO1 background in which rulAB only enhanced the UV-B survival by 2-fold under photoreactivating conditions. The frequency of occurrence of spontaneous nalidixic acid-resistant mutants in the PAO1 uvrA and uvrA phr backgrounds complemented with rulAB were 3.8 × 10−5 and 2.1 × 10−3, respectively, following a UV-B dose of 1,550 J m−2. The construction and characterization of phr mutants in the present study will facilitate the

  14. Lysozyme Crystal

    NASA Technical Reports Server (NTRS)

    2004-01-01

    To the crystallographer, this may not be a diamond but it is just as priceless. A Lysozyme crystal grown in orbit looks great under a microscope, but the real test is X-ray crystallography. The colors are caused by polarizing filters. Proteins can form crystals generated by rows and columns of molecules that form up like soldiers on a parade ground. Shining X-rays through a crystal will produce a pattern of dots that can be decoded to reveal the arrangement of the atoms in the molecules making up the crystal. Like the troops in formation, uniformity and order are everything in X-ray crystallography. X-rays have much shorter wavelengths than visible light, so the best looking crystals under the microscope won't necessarily pass muster under the X-rays. In order to have crystals to use for X-ray diffraction studies, crystals need to be fairly large and well ordered. Scientists also need lots of crystals since exposure to air, the process of X-raying them, and other factors destroy them. Growing protein crystals in space has yielded striking results. Lysozyme's structure is well known and it has become a standard in many crystallization studies on Earth and in space.

  15. 40 CFR 180.437 - Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate and methyl 6-(4-isopropyl-4...

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...-imidazolin-2-yl)-p-toluate and methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate; tolerances... Tolerances § 180.437 Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate and methyl 6-(4... for the combined residues of the herbicide methyl...

  16. Hydrogen film cooling with incident and swept-shock interactions in a Mach 6.4 nitrogen free stream

    NASA Technical Reports Server (NTRS)

    Olsen, George C.; Nowak, Robert J.

    1995-01-01

    The effectiveness of slot film cooling of a flat plate in a Mach 6.4 flow with and without incident and swept oblique shock interactions was experimentally investigated. Hydrogen was the primary coolant gas, although some tests were conducted using helium as the coolant. Tests were conducted in the Calspan 48-Inch Shock Tunnel with a nitrogen flow field to preclude combustion of the hydrogen coolant gas. A two-dimensional highly instrumented model developed in a previous test series was used. Parameters investigated included coolant mass flow rate, coolant gas, local free-stream Reynolds number, incident oblique shock strength, and a swept oblique shock. Both gases were highly effective coolants in undisturbed flow; however, both incident and swept shocks degraded that effectiveness.

  17. Hg196 and the ``magical quartet'' of the extended Uν(6/12)⊗Uπ(6/4) supersymmetry

    NASA Astrophysics Data System (ADS)

    Bernards, C.; Heinze, S.; Jolie, J.; Albers, M.; Fransen, C.; Radeck, D.

    2010-02-01

    We present the results of a γγ angular correlation experiment investigating the nucleus Hg196 and compare these with a theoretical description of Hg196 within the Uν(6/12)⊗Uπ(6/4) extended supersymmetry. To populate excited Hg196 states, we used the Cologne FN Tandem accelerator inducing the reaction Pt194(α,2n)Hg196 and analyzed the γ decays of levels up to an excitation energy of 2.4 MeV with the HORUS cube spectrometer. The new results on this mercury isotope allow a comparison between the experimental data and the supersymmetrical predictions and show good agreement. This way we can add Hg196 as a fifth supermultiplet member to the so-called magical quartet consisting of Pt194,195 and Au195,196.

  18. 30/20 GHz and 6/4 GHz band transponder development for communications satellite CS-3

    NASA Astrophysics Data System (ADS)

    Tanaka, Masayoshi; Nakamura, Makoto; Okamoto, Teruki; Kumazawa, Hiroyuki

    The next phase communications satellite CS-3 will be launched in 1988 as a successor to CS-2. The CS-3 is composed of two 6/4 GHz band and ten 30/20 GHz band transponders and its mission life is seven years. This paper describes the newly developed CS-3 transponder, especially a 4 GHz band 7 watt GaAs FET amplifier, Ka-band frequency single-conversion, a 30 GHz band low noise amplifier, and a 20 GHz band 10 watt TWTA. The introduction of these new technologies contributes significantly to reducing the CS-3 transponder weight and size, and to improving performance characteristics and insuring a long life.

  19. The SKW 6.4 line of human B lymphocytes specifically binds and responds to vasoactive intestinal peptide.

    PubMed

    Cheng, P P; Sreedharan, S P; Kishiyama, J L; Goetzl, E J

    1993-05-01

    Vasoactive intestinal peptide (VIP1-28) is a neuromediator recognized by high-affinity receptors on human lymphocytes, which inhibits T-cell proliferation and cytokine secretion, and suppresses immunoglobulin production by mitogen-stimulated mixed mononuclear leucocytes. The direct interactions of VIP1-28 with B cells were studied in the SKW 6.4 line of EBV-transformed human B cells, that express a mean (+/- SD) of 6116 +/- 969 receptors for [125I]VIP1-28 with a mean Kd of 59 nM, that decreases to 12 nM after exposure to phorbol 12-myristate 13-acetate (PMA). The secretion of IgM by SKW 6.4 B cells stimulated optimally with 100 ng/ml of PMA, but not unstimulated secretion of IgM, was suppressed significantly by 10(-12) M to 10(-9) M VIP1-28 and up to a mean maximum (+/- SD) of 40 +/- 2% by 10(-10) M VIP1-28. VIP1-28 elicited concomitant increases in intracellular cyclic AMP up to a mean maximum of 163% at 10(-10) M VIP1-28. The requirement for specific signal transduction by the occupied VIP receptors to inhibit IgM secretion was demonstrated by the lack of effect of VIP4-28 on both cyclic AMP concentration and IgM secretion, despite the equal affinity of binding of VIP4-28 and VIP1-28. The effects of VIP on immunoglobulin secretion by stimulated mixed mononuclear leucocytes thus may be due in part to a direct action on B cells. PMID:8509142

  20. The SKW 6.4 line of human B lymphocytes specifically binds and responds to vasoactive intestinal peptide.

    PubMed Central

    Cheng, P P; Sreedharan, S P; Kishiyama, J L; Goetzl, E J

    1993-01-01

    Vasoactive intestinal peptide (VIP1-28) is a neuromediator recognized by high-affinity receptors on human lymphocytes, which inhibits T-cell proliferation and cytokine secretion, and suppresses immunoglobulin production by mitogen-stimulated mixed mononuclear leucocytes. The direct interactions of VIP1-28 with B cells were studied in the SKW 6.4 line of EBV-transformed human B cells, that express a mean (+/- SD) of 6116 +/- 969 receptors for [125I]VIP1-28 with a mean Kd of 59 nM, that decreases to 12 nM after exposure to phorbol 12-myristate 13-acetate (PMA). The secretion of IgM by SKW 6.4 B cells stimulated optimally with 100 ng/ml of PMA, but not unstimulated secretion of IgM, was suppressed significantly by 10(-12) M to 10(-9) M VIP1-28 and up to a mean maximum (+/- SD) of 40 +/- 2% by 10(-10) M VIP1-28. VIP1-28 elicited concomitant increases in intracellular cyclic AMP up to a mean maximum of 163% at 10(-10) M VIP1-28. The requirement for specific signal transduction by the occupied VIP receptors to inhibit IgM secretion was demonstrated by the lack of effect of VIP4-28 on both cyclic AMP concentration and IgM secretion, despite the equal affinity of binding of VIP4-28 and VIP1-28. The effects of VIP on immunoglobulin secretion by stimulated mixed mononuclear leucocytes thus may be due in part to a direct action on B cells. PMID:8509142

  1. RNA Crystallization

    NASA Technical Reports Server (NTRS)

    Golden, Barbara L.; Kundrot, Craig E.

    2003-01-01

    RNA molecules may be crystallized using variations of the methods developed for protein crystallography. As the technology has become available to syntheisize and purify RNA molecules in the quantities and with the quality that is required for crystallography, the field of RNA structure has exploded. The first consideration when crystallizing an RNA is the sequence, which may be varied in a rational way to enhance crystallizability or prevent formation of alternate structures. Once a sequence has been designed, the RNA may be synthesized chemically by solid-state synthesis, or it may be produced enzymatically using RNA polymerase and an appropriate DNA template. Purification of milligram quantities of RNA can be accomplished by HPLC or gel electrophoresis. As with proteins, crystallization of RNA is usually accomplished by vapor diffusion techniques. There are several considerations that are either unique to RNA crystallization or more important for RNA crystallization. Techniques for design, synthesis, purification, and crystallization of RNAs will be reviewed here.

  2. Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2005-01-01

    Nucleation, growth and perfection of protein crystals will be overviewed along with crystal mechanical properties. The knowledge is based on experiments using optical and force crystals behave similar to inorganic crystals, though with a difference in orders of magnitude in growing parameters. For example, the low incorporation rate of large biomolecules requires up to 100 times larger supersaturation to grow protein, rather than inorganic crystals. Nucleation is often poorly reproducible, partly because of turbulence accompanying the mixing of precipitant with protein solution. Light scattering reveals fluctuations of molecular cluster size, its growth, surface energies and increased clustering as protein ages. Growth most often occurs layer-by-layer resulting in faceted crystals. New molecular layer on crystal face is terminated by a step where molecular incorporation occurs. Quantitative data on the incorporation rate will be discussed. Rounded crystals with molecularly disordered interfaces will be explained. Defects in crystals compromise the x-ray diffraction resolution crucially needed to find the 3D atomic structure of biomolecules. The defects are immobile so that birth defects stay forever. All lattice defects known for inorganics are revealed in protein crystals. Contribution of molecular conformations to lattice disorder is important, but not studied. This contribution may be enhanced by stress field from other defects. Homologous impurities (e.g., dimers, acetylated molecules) are trapped more willingly by a growing crystal than foreign protein impurities. The trapped impurities induce internal stress eliminated in crystals exceeding a critical size (part of mni for ferritin, lysozyme). Lesser impurities are trapped from stagnant, as compared to the flowing, solution. Freezing may induce much more defects unless quickly amorphysizing intracrystalline water.

  3. Computational crystallization.

    PubMed

    Altan, Irem; Charbonneau, Patrick; Snell, Edward H

    2016-07-15

    Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one of trial and error. In this article, efforts in the field are discussed together with a theoretical underpinning using a solubility phase diagram. Prior knowledge has been used to develop tools that computationally predict the crystallization outcome and define mutational approaches that enhance the likelihood of crystallization. For the most part these tools are based on binary outcomes (crystal or no crystal), and the full information contained in an assembly of crystallization screening experiments is lost. The potential of this additional information is illustrated by examples where new biological knowledge can be obtained and where a target can be sub-categorized to predict which class of reagents provides the crystallization driving force. Computational analysis of crystallization requires complete and correctly formatted data. While massive crystallization screening efforts are under way, the data available from many of these studies are sparse. The potential for this data and the steps needed to realize this potential are discussed. PMID:26792536

  4. (E)-2-Hydr­oxy-6-[(4-propyl­phenyl)­iminiometh­yl]phenolate

    PubMed Central

    Yazıcı, Serap; Albayrak, Çiğdem; Gümrükçüoğlu, İsmail; Şenel, İsmet; Büyükgüngör, Orhan

    2010-01-01

    The title compound, C16H17NO2, crystallizes with three crystallographically independent zwitterionic mol­ecules in the asymmetric unit which differ significantly in the orientations of the propyl side chains. The dihedral angles between the two benzene rings in the three mol­ecules are 6.17 (7), 6.75 (7) and 23.67 (7)°, respectively. In each independent mol­ecule, an intra­molecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, each independent mol­ecule exists as part of an O—H⋯O hydrogen-bonded centrosymmetric R 2 2(10) dimer. PMID:21580188

  5. Crystal Data

    National Institute of Standards and Technology Data Gateway

    SRD 3 NIST Crystal Data (PC database for purchase)   NIST Crystal Data contains chemical, physical, and crystallographic information useful to characterize more than 237,671 inorganic and organic crystalline materials. The data include the standard cell parameters, cell volume, space group number and symbol, calculated density, chemical formula, chemical name, and classification by chemical type.

  6. A fundamental approach to adhesion: Synthesis, surface analysis, thermodynamics and mechanics. [acid-base properties of titanium 6-4 surfaces

    NASA Technical Reports Server (NTRS)

    Siriwardane, R.; Wightman, J. P.

    1980-01-01

    The acid-base properties of titanium 6-4 plates (low surface area) were investigated after three different pretreatments, namely Turco, phosphate-fluoride and Pasa-Jell. A series of indicators was used and color changes were detected using diffuse reflectance visible spectroscopy. Electron spectroscopy for chemical analysis was used to examine the indicator on the Ti 6-4 surface. Specular reflectance infra-red spectroscopy was used to study the adsorption of stearic acid from cyclohexane solutions on the Ti 6-4 surface.

  7. Post-seismic deformation of the Mw 6.4 Shonbeh earthquake (south western Iran) of April 9th, 2013

    NASA Astrophysics Data System (ADS)

    Fathian Baneh, Aram; Tolomei, Cristiano; Lugari, Alessandro; Trasatti, Elisa; Salvi, Stefano

    2016-04-01

    The study of post-seismic deformation within a region is of high significance to have a better understanding of the kinematic behavior of a seismogenic fault. We perform the Small Baseline Subset (SBAS) method to process a large number of X-Band, COSMO-SkyMed images to measure the post-seismic deformation due to the Shonbeh earthquake (Iran) of 9th April 2013 (Mw 6.4). The meizoseismal zone of the earthquake and following aftershocks' epicenters cover an area in the frontal edge of the Zagros Simply Folded Zone, in the southwest of Iran, between Kaki and Kangan anticlines. Exploiting the available dataset of images from the beginning of 2013 to mid 2014, we observe the concentration of the deformation along at least two NW- striking, southwest-dipping fault segments arranged in right-step pattern and parallel to the trend of the folds. The preliminary InSAR results illustrate the migration of the post-seismic deformation and stress relaxation from the southeastern toward the northwestern fault segments.

  8. The 29 July 2014 (Mw 6.4) Southern Veracruz, Mexico Earthquake: Scenary Previous to Its Occurrence.

    NASA Astrophysics Data System (ADS)

    Yamamoto, J.

    2014-12-01

    On 29 July 2014 (10:46 UTC) a magnitude 6.4 (Mw) earthquake occurred at the southern Veracruz, Mexico region. The epicenter was preliminary located at 17.70° N and 95.63° W. It was a normal fault event with the slip on a fault that trend NNW and a focus approximately 117 km below the surface of the Gulf of Mexico costal plane. The earthquake was widely felt through centro and southern Mexico. In Oaxaca City 133 km to the south a person die of a hearth attack. No damages were reported. Most prominent moderate-sized earthquakes occurring in the southern Veracruz region since 1959 has been concentrated along two well defined seismic belts. One belt runs off the coast following nearly its contour. Here the earthquakes are shallow depth and mostly show a reverse fault mechanism. This belt of seismicity begins at the Los Tuxtlas volcanic field. Another seismic belt is located inland 70 km to the west. Here most earthquakes are of intermediate-depth (108-154 km) focus and normal faulting mechanism. The July 2014 earthquake is located near to this second seismic belt. In the present paper we discuss, within the regional geotectonic framework, the location and some aspects of the rupture process of the July 2014 earthquake.

  9. Detection of Anomalous Machining Damages in Inconel 718 and TI 6-4 by Eddy Current Techniques

    NASA Astrophysics Data System (ADS)

    Lo, C. C. H.; Shimon, M.; Nakagawa, N.

    2010-02-01

    This paper reports on an eddy current (EC) study aimed at detecting anomalous machining damages in Inconel 718 and Ti 6-4 samples, including (i) surface discontinuities such as re-depositing of chips onto the machined surface, and (ii) microstructural damages manifested as a white surface layer and a subsurface layer of distorted grains, typically tens of microns thick. A series of pristine and machine-damaged coupons were studied by EC scans using a differential probe operated at 2 MHz to detect discontinuous surface anomalies, and by swept high frequency EC (SHFEC) measurements from 0.5 MHz to 65.5 MHz using proprietary detection coils to detect surface microstructural damages. In general, the EC c-scan data from machine-damaged surfaces show spatial variations with larger standard deviations than those from the undamaged surfaces. In some cases, the c-scan images exhibit characteristic bipolar indications in good spatial correlation with surface anomalies revealed by optical microscopy and laser profilometry. Results of the SHFEC measurements indicate a reduced near-surface conductivity of the damaged surfaces compared to the undamaged surfaces.

  10. Final report on SIM.T-K6.4: Comparison of INMETRO and INTI humidity standards

    NASA Astrophysics Data System (ADS)

    Brionizio, J. D.; Skabar, J. G.

    2013-01-01

    The aim of this paper is to describe a bilateral comparison carried out by the hygrometry laboratories of the National Metrological Institutes of Brazil and Argentina, INMETRO and INTI, respectively. This comparison was planned and carried out as an informal comparison. But, in view of the lack of and the need for humidity comparison reports in the region of the Inter American Metrology System (SIM), we decided to register this comparison as a bilateral key comparison of the regional metrology organization (RMO), SIM.T-K6.4-INMETRO/INTI. The comparison was performed in the range from -20 ºC to +60 ºC dew/frost point temperatures in 20 °C steps. This paper presents the calibration methods of the laboratories, the uncertainty analysis and the comparison results. The measurements results of the comparison are also presented in terms of the normalised error (En) as a function of the dew/frost point temperature. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCT, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  11. 6-[(4′-Ethoxycarbonyl-[1,1′-biphenyl]-4-yl)oxy]hexanoic acid

    PubMed Central

    López-Velázquez, Delia; Mendoza, Angel

    2013-01-01

    In the title compound, C21H24O5, the dihedral angle between the benzene rings is 19.57 (15)°. In the crystal, the mol­ecular arrangement makes up head-to-head centrosymmetric dimers assembled by pairs of O—H⋯O bonds; this arrangement builds a graph-set ring motif of R 2 2(8). The dimers are linked into a tape running along the b-axis direction through C—H⋯O inter­actions. The packing is further consolidated by C—H⋯π inter­actions, forming layers parallel to (10-2). PMID:24098263

  12. High energy resolution, high angular acceptance crystal monochromator

    DOEpatents

    Alp, Ercan E.; Mooney, Timothy M.; Toellner, Thomas

    1996-06-04

    A 4-bounce dispersive crystal monochromator reduces the bandpass of synchrotron radiation to a 10-50 meV range without sacrificing angular acceptance. The monochromator includes the combination of an asymmetrical channel-cut single crystal of lower order reflection and a symmetrical channel-cut single crystal of higher order reflection in a nested geometric configuration. In the disclosed embodiment, a highly asymmetrically cut (.alpha.=20) outer silicon crystal (4 2 2) with low order reflection is combined with a symmetrically cut inner silicon crystal (10 6 4) with high order reflection to condition a hard x-ray component (5-30 keV) of synchrotron radiation down to the .mu.eV-neV level. Each of the crystals is coupled to the combination of a positioning inchworm and angle encoder via a respective rotation stage for accurate relative positioning of the crystals and precise energy tuning of the monochromator.

  13. High energy resolution, high angular acceptance crystal monochromator

    DOEpatents

    Alp, E.E.; Mooney, T.M.; Toellner, T.

    1996-06-04

    A 4-bounce dispersive crystal monochromator reduces the bandpass of synchrotron radiation to a 10-50 meV range without sacrificing angular acceptance. The monochromator includes the combination of an asymmetrical channel-cut single crystal of lower order reflection and a symmetrical channel-cut single crystal of higher order reflection in a nested geometric configuration. In the disclosed embodiment, a highly asymmetrically cut ({alpha}=20) outer silicon crystal (4 2 2) with low order reflection is combined with a symmetrically cut inner silicon crystal (10 6 4) with high order reflection to condition a hard x-ray component (5--30 keV) of synchrotron radiation down to the {micro}eV-neV level. Each of the crystals is coupled to the combination of a positioning inchworm and angle encoder via a respective rotation stage for accurate relative positioning of the crystals and precise energy tuning of the monochromator. 7 figs.

  14. Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Wright, John D.

    1995-02-01

    This book describes the chemical and physical structure of molecular crystals, their optical and electronic properties, and the reactions between neighboring molecules in crystals. In the second edition, the author has taken into account research that has undergone extremely rapid development since the first edition was published in 1987. For instance, he gives extensive coverage to the applications of molecular materials in high-technology devices (e.g. optical communications, laser printers, photocopiers, liquid crystal displays, solar cells, and more). There is also an entirely new chapter on the recently discovered Buckminsterfullerene carbon molecule (C60) and organic non-linear optic materials.

  15. Auxiliary KCNE subunits modulate both homotetrameric Kv2.1 and heterotetrameric Kv2.1/Kv6.4 channels

    PubMed Central

    David, Jens-Peter; Stas, Jeroen I.; Schmitt, Nicole; Bocksteins, Elke

    2015-01-01

    The diversity of the voltage-gated K+ (Kv) channel subfamily Kv2 is increased by interactions with auxiliary β-subunits and by assembly with members of the modulatory so-called silent Kv subfamilies (Kv5-Kv6 and Kv8-Kv9). However, it has not yet been investigated whether these two types of modulating subunits can associate within and modify a single channel complex simultaneously. Here, we demonstrate that the transmembrane β-subunit KCNE5 modifies the Kv2.1/Kv6.4 current extensively, whereas KCNE2 and KCNE4 only exert minor effects. Co-expression of KCNE5 with Kv2.1 and Kv6.4 did not alter the Kv2.1/Kv6.4 current density but modulated the biophysical properties significantly; KCNE5 accelerated the activation, slowed the deactivation and steepened the slope of the voltage-dependence of the Kv2.1/Kv6.4 inactivation by accelerating recovery of the closed-state inactivation. In contrast, KCNE5 reduced the current density ~2-fold without affecting the biophysical properties of Kv2.1 homotetramers. Co-localization of Kv2.1, Kv6.4 and KCNE5 was demonstrated with immunocytochemistry and formation of Kv2.1/Kv6.4/KCNE5 and Kv2.1/KCNE5 complexes was confirmed by Fluorescence Resonance Energy Transfer experiments performed in HEK293 cells. These results suggest that a triple complex consisting of Kv2.1, Kv6.4 and KCNE5 subunits can be formed. In vivo, formation of such tripartite Kv2.1/Kv6.4/KCNE5 channel complexes might contribute to tissue-specific fine-tuning of excitability. PMID:26242757

  16. The DDX6-4E-T interaction mediates translational repression and P-body assembly.

    PubMed

    Kamenska, Anastasiia; Simpson, Clare; Vindry, Caroline; Broomhead, Helen; Bénard, Marianne; Ernoult-Lange, Michèle; Lee, Benjamin P; Harries, Lorna W; Weil, Dominique; Standart, Nancy

    2016-07-27

    4E-Transporter binds eIF4E via its consensus sequence YXXXXLΦ, shared with eIF4G, and is a nucleocytoplasmic shuttling protein found enriched in P-(rocessing) bodies. 4E-T inhibits general protein synthesis by reducing available eIF4E levels. Recently, we showed that 4E-T bound to mRNA however represses its translation in an eIF4E-independent manner, and contributes to silencing of mRNAs targeted by miRNAs. Here, we address further the mechanism of translational repression by 4E-T by first identifying and delineating the interacting sites of its major partners by mass spectrometry and western blotting, including DDX6, UNR, unrip, PAT1B, LSM14A and CNOT4. Furthermore, we document novel binding between 4E-T partners including UNR-CNOT4 and unrip-LSM14A, altogether suggesting 4E-T nucleates a complex network of RNA-binding protein interactions. In functional assays, we demonstrate that joint deletion of two short conserved motifs that bind UNR and DDX6 relieves repression of 4E-T-bound mRNA, in part reliant on the 4E-T-DDX6-CNOT1 axis. We also show that the DDX6-4E-T interaction mediates miRNA-dependent translational repression and de novo P-body assembly, implying that translational repression and formation of new P-bodies are coupled processes. Altogether these findings considerably extend our understanding of the role of 4E-T in gene regulation, important in development and neurogenesis. PMID:27342281

  17. Heterogeneous stress field in the source area of the 2003 M6.4 Northern Miyagi Prefecture, NE Japan, earthquake

    NASA Astrophysics Data System (ADS)

    Yoshida, Keisuke; Hasegawa, Akira; Okada, Tomomi

    2016-07-01

    We investigated a detailed spatial distribution of principal stress axis orientations in the source area of the 2003 M6.4 Northern Miyagi Prefecture earthquake that occurred in the forearc of northeastern Japan. Aftershock hypocentres were precisely relocated by applying the double difference method to arrival time data obtained at temporary stations as well as at surrounding routine stations. We picked many P-wave polarity data from seismograms at these stations, which enabled us to obtain 312 well-determined focal mechanism solutions. Stress tensor inversions were performed by using these focal mechanism data. The results show that quite a lot of focal mechanisms are difficult to explain by the uniform stress field, especially near the large slip area of the main-shock rupture. Stress tensor inversions at the location of individual earthquakes show that σ1 axes are orientated mainly to WSW-ENE in the northern part of the source area, while they are oriented to NW-SE in the southern part. This spatial pattern is roughly similar to those of the static stress change by the main shock, which suggests that the observed spatially heterogeneous stress field was formed by the static stress change. If this is the case, the deviatoric stress magnitude before the main shock was very small. Another possibility is the heterogeneous stress field observed after the main shock had existed even before the main shock, although we do not know why it was formed. Unfavourable orientation of the main shock fault with respect to this stress field suggests that the fault is not strong in this case too.

  18. Study of the Relationship between Surface Rupture and Faulting due to 2010 M6.4 Jiashian Earthquake

    NASA Astrophysics Data System (ADS)

    Huang, I.; Huang, W.; Lee, J.

    2013-12-01

    Near-surface deformation induced by earthquake faulting is one of main causes to the damage of engineering structures during earthquakes. In return, information of distribution of damaged engineering structures and deformation features of surface ruptures can reveal important geological characteristics of the responsible fault. The 4 March 2010 Jaishian earthquake (MW6.4) in southwestern Taiwan caused moderate damage in Chiayi, Tainan and Kaohsiung counties, including ground surface fractures, engineering structure damage and soil liquefaction. This study collects and collates all the data from the reports of the earthquake-induced engineering structure damage and field geological fracture investigation. The collated result shows there were dense open-type surface fractures locally distributed within 4-km-long an northwest-trending rupture zone around Meinong town. The surface fractures can be divided into three sets according to their characteristics. One set of the fractures which oriented in azimuth of 230°× 30° likely resulted from the earthquake faulting because of no evidence connected with the weakness of engineering structures. The locations of tens of densely damaged buildings may reflect the relatively stronger near-fault surface deformation. The formation mechanisms of these fractures were studied via analyzing dynamic peak ground strains derived from peak ground velocities and static strains produced from an elastic half-space dislocation model. The result of the dynamic strain analysis shows that the cause of fracturing due to the seismic shaking cannot be ruled out because the magnitude of the strains could reach the threshold of ground failure but there is no evidence for the directional characteristic. On the contrary, open-type fractures and their orientation of 230°× 30° in azimuth produced from the near-surface modeled static strains are consistent with those discovered in field investigations. Thus, this study suggests the NE-trending set

  19. Properties of the Aftershock Sequences of the 2003 Bingöl, M D = 6.4, (Turkey) Earthquake

    NASA Astrophysics Data System (ADS)

    Öztürk, S.; Çinar, H.; Bayrak, Y.; Karsli, H.; Daniel, G.

    2008-02-01

    Aftershock sequences of the magnitude M W =6.4 Bingöl earthquake of 1 May, 2003 (Turkey) are studied to analyze the spatial and temporal variability of seismicity parameters of the b value of the frequency-magnitude distribution and the p value describing the temporal decay rate of aftershocks. The catalog taken from the KOERI contains 516 events and one month’s time interval. The b value is found as 1.49 ± 0.07 with Mc =3.2. Considering the error limits, b value is very close to the maximum b value stated in the literature. This larger value may be caused by the paucity of the larger aftershocks with magnitude M D ≥ 5.0. Also, the aftershock area is divided into four parts in order to detect the differences in b value and the changes illustrate the heterogeneity of the aftershock region. The p value is calculated as 0.86 ± 0.11, relatively small. This small p value may be a result of the slow decay rate of the aftershock activity and the small number of aftershocks. For the fitting of a suitable model and estimation of correct values of decay parameters, the sequence is also modeled as a background seismicty rate model. Constant background activity does not appear to be important during the first month of the Bingöl aftershock sequences and this result is coherent with an average estimation of pre-existing seismicity. The results show that usage of simple modified Omori law is reasonable for the analysis. The spatial variability in b value is between 1.2 and 1.8 and p value varies from 0.6 to 1.2. Although the physical interpretation of the spatial variability of these seismicity parameters is not straightforward, the variation of b and p values can be related to the stress and slip distribution after the mainshock, respectively. The lower b values are observed in the high stress regions and to a certain extent, the largest b values are related to Holocene alluvium. The larger p values are found in some part of the aftershock area although no slip occurred

  20. Multi-wavelength diagnostics and modelling of the emission during a B6.4 flare of August 20, 2005

    NASA Astrophysics Data System (ADS)

    Awasthi, Arun Kumar; Berlicki, Arkadiusz; Rudawy, Powel; Heinzel, Petr

    2015-08-01

    We study the temporal, spatial and spectral evolution of multi-wavelength emission observed during a B6.4 flare occurred on August 20, 2005 with the motivation to outline the thermal and non-thermal processes during the precursor and gradual phase of the flare. Precursor phase is designated as the gradual enhancement of soft X-ray emission prior to onset of the impulsive phase. Observations from several space and ground based observatories viz. RHESSI, TRACE, GONG, SoHO/EIT and NoRP are included in this study. Temporal evolution of X-ray emission does not show the presence of hard X-rays (>12 keV) emission during the precursor phase of the flare. We synthesized X-ray images in 6-12 keV from RHESSI observations, which show several discrete sources during the precursor phase. Following to this, one of these sources pronounced during the main phase of the flare. We carry out in-depth analysis of chromospheric response in various phases of the flare employing high temporal cadence images of the Sun in Hα line centre as well as wings obtained from the Multi-channel Subtractive Double Pass Spectrograph (MSDP) at the Bialkow Observatory of the University of Wroclaw, Poland. Our analysis of Hα images during the main phase of the flare suggests localized emission in the form of kernels. On the contrary, we note extended and diffused source morphology of emitting region during the precursor phase of the flare. We also study various kinematic properties of different structures visible in the Hα images in the line centre as well as wings. In addition, the correlation of the relative timing of X-ray and Hα emission profile is performed to estimate the delay in the chromospheric response during different phases of flare. Further, we employ thermal plasma parameters estimated during the precursor and gradual phase to model the associated Hα emission. For the modeling we employ NLTE numerical codes modified for flare conditions. The modeled and observed flare emission

  1. Self-assembly in solvates of 2,4-diamino-6-(4-methyl- phenyl)-1,3,5-triazine and in its molecular adducts with some aliphatic dicarboxylic acids

    NASA Astrophysics Data System (ADS)

    Nandy, Purnendu; Nayak, Amrita; Biswas, Sharmita Nandy; Pedireddi, V. R.

    2016-03-01

    Solid state structures of 2,4-diamino-6-(4-methylphenyl)-1,3,5-triazine, 1, in the form of methanol and dimethylsulfoxide (DMSO) solvates, as well as supramolecular assemblies of 1 with various aliphatic dicarboxylic acids, oxalic (a), malonic (b), succinic (c), glutaric (d) and adipic (e) have been reported. Analysis of the assemblies has been carried out by single crystal X-ray diffraction and thermal methods. Triazine 1 yields anhydrous molecular adducts with acids a-d, upon co-crystallization either from CH3OH and DMSO solvents. However acid e gives anhydrous adduct from DMSO solvent, while it gives a methanol adduct from CH3OH. Structure determination reveals that molecular adducts 1a, 1d and 1e are in a 2:1 ratio of 1 and the corresponding acid. However the ratio is 1:1, in 1b, perhaps due to the involvement of one of the acid groups in the intramolecular hydrogen bonding and in adduct 1c the ratio observed is 3:2. Structural features in all these assemblies have been rationalised in terms of various recognition patterns formed between the acceptor and donor groups. A noteworthy feature is that -COOH groups in acid a establish interaction with 1 through amino groups, while such interactions are observed to be through hetero -N atoms in case of the acids b-e.

  2. Liquid Crystals

    NASA Astrophysics Data System (ADS)

    1990-01-01

    Thermochromic liquid crystals, or TLCs, are a type of liquid crystals that react to changes in temperature by changing color. The Hallcrest/NASA collaboration involved development of a new way to visualize boundary layer transition in flight and in wind tunnel testing of aircraft wing and body surfaces. TLCs offered a new and potentially better method of visualizing the boundary layer transition in flight. Hallcrest provided a liquid crystal formulation technique that afforded great control over the sensitivity of the liquid crystals to varying conditions. Method is of great use to industry, government and universities for aerodynamic and hydrodynamic testing. Company's principal line is temperature indicating devices for industrial use, such as non-destructive testing and flaw detection in electric/electronic systems, medical application, such as diagnostic systems, for retail sale, such as room, refrigerator, baby bath and aquarium thermometers, and for advertising and promotion specials. Additionally, Hallcrest manufactures TLC mixtures for cosmetic applications, and liquid crystal battery tester for Duracell batteries.

  3. Comparing Crystals

    ERIC Educational Resources Information Center

    Sharp, Janet; Hoiberg, Karen; Chumbley, Scott

    2003-01-01

    This standard lesson on identifying salt and sugar crystals expands into an opportunity for students to develop their observation, questioning, and modeling skills. Although sugar and salt may look similar, students discovered that they looked very different under a magnifying glass and behaved differently when dissolved in water. In addition,…

  4. Therapeutic Crystals

    ERIC Educational Resources Information Center

    Bond, Charles S.

    2014-01-01

    Some readers might not fully know what the difference is between crystallography, and the "new age" practice of dangling crystals around the body to capitalise on their healing energy. The latter is often considered to be superstition, while ironically, the former has actually resulted in real rationally-based healing of human diseases…

  5. Crystal orientation dependence of elastic precursor strength in pentaerythritol tetranitrate

    SciTech Connect

    Dick, J.J.; Whitehead, M.C.; Martinez, A.R.

    1993-08-01

    Elastic precursor shock strengths were measured using VISAR instrumentation on pentaerythritol tetranitrate crystals 2.9 to 6.4 mm thick. Input shock strength was 1.2 GPa. A factor of 3 difference in elastic shock strength and a factor of 2 difference in critical resolved shear stress were observed depending on the crystal orientation. The order of increasing elastic shock strength was [100], [101],[110], and [001]. This is the same order as that obtained in our analysis for increasing steric hindrance to shear, indicating that the relative strength of different orientations of this molecular crystal under shock conditions is governed by steric hindrance to shear.

  6. The in situ repair kinetics of epidermal thymine dimers and 6-4 photoproducts in human skin types I and II.

    PubMed

    Young, A R; Chadwick, C A; Harrison, G I; Hawk, J L; Nikaido, O; Potten, C S

    1996-06-01

    We assessed the in situ time-dependent loss of epidermal thymine dimers and 6-4 photoproducts in skin types I and II after exposure to two minimal erythema doses of solar-simulating radiation on previously unexposed buttock skin. Using quantitative image analysis, we evaluated biopsy sections stained with monoclonal antibodies. We then made comparisons, in the same volunteers, with unscheduled DNA synthesis, which is a direct marker of overall excision repair. Removal of thymine dimers was slow (half-life = 33.3 h), with high levels of lesions still present 24 h post-irradiation; some lesions were still present at 7 d. In contrast, removal of 6-4 photoproducts was rapid (half-life = 2.3 h), the decay kinetics of which correlated better with the decline in epidermal unscheduled DNA synthesis (half-life = 7.1 h). These data show that as in mouse, monkey, and in vitro models, the 6-4 photolesion is repaired preferentially in human epidermis in situ. They also raise the possibility that poor thymine dimer repair may be a feature of skin types I and II, who are more prone to skin cancer than are types III and IV. There was an inverse relationship between the onset of erythema and 6-4 photoproduct repair, suggesting that this repair process initiates erythema. PMID:8752675

  7. Analysis of 6.4 KEV Moessbauer Spectra Obtained with MIMOS II on MER on Cobbles at Meridiani Planum, Mars and Considerations on Penetration Depths

    NASA Technical Reports Server (NTRS)

    Fleischer, I.; Klingelhoefer, G.; Morris, R. V.; Schroder, C.; Rodionov, D.; deSouza, P.

    2008-01-01

    The miniaturized Moessbauer (MB) spectrometers MIMOS II [1] on board of the two Mars Exploration Rovers Spirit and Opportunity have obtained more than 600 spectra of more than 300 different rock and soil targets [2-7]. Both instruments have simultaneously collected 6.4 keV X-ray and 14.4 keV .-ray spectra in backscattering geometry [1]. With Spirit's MB spectrometer, 6.4 keV and 14.4 keV spectra have been obtained for all targets through sol 461. After this date, only 14.4 keV spectra were collected. With Opportunity's spectrometer, 6.4 keV and 14.4 keV spectra have been collected for all targets to date. The Fe-mineralogy of rock and soil targets at both landing sites reported to date has been exclusively extracted from 14.4 keV spectra [2-5]. The comparison of 6.4 keV and 14.4 keV spectra provides depth selective information about a sample, but interpretation is not always straightforward [8].

  8. Modulation of Closed−State Inactivation in Kv2.1/Kv6.4 Heterotetramers as Mechanism for 4−AP Induced Potentiation

    PubMed Central

    Labro, Alain J.; Snyders, Dirk J.

    2015-01-01

    The voltage−gated K+ (Kv) channel subunits Kv2.1 and Kv2.2 are expressed in almost every tissue. The diversity of Kv2 current is increased by interacting with the electrically silent Kv (KvS) subunits Kv5−Kv6 and Kv8−Kv9, into functional heterotetrameric Kv2/KvS channels. These Kv2/KvS channels possess unique biophysical properties and display a more tissue-specific expression pattern, making them more desirable pharmacological and therapeutic targets. However, little is known about the pharmacological properties of these heterotetrameric complexes. We demonstrate that Kv5.1, Kv8.1 and Kv9.3 currents were inhibited differently by the channel blocker 4−aminopyridine (4−AP) compared to Kv2.1 homotetramers. In contrast, Kv6.4 currents were potentiated by 4−AP while displaying moderately increased affinities for the channel pore blockers quinidine and flecainide. We found that the 4−AP induced potentiation of Kv6.4 currents was caused by modulation of the Kv6.4−mediated closed−state inactivation: suppression by 4−AP of the Kv2.1/Kv6.4 closed−state inactivation recovered a population of Kv2.1/Kv6.4 channels that was inactivated at resting conditions, i.e. at a holding potential of −80 mV. This modulation also resulted in a slower initiation and faster recovery from closed−state inactivation. Using chimeric substitutions between Kv6.4 and Kv9.3 subunits, we demonstrated that the lower half of the S6 domain (S6c) plays a crucial role in the 4−AP induced potentiation. These results demonstrate that KvS subunits modify the pharmacological response of Kv2 subunits when assembled in heterotetramers and illustrate the potential of KvS subunits to provide unique pharmacological properties to the heterotetramers, as is the case for 4−AP on Kv2.1/Kv6.4 channels. PMID:26505474

  9. Different interaction motifs of dipolar S=O...C=O contacts that associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-{[(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-ylmethyl]sulfonyl}-myo-inositol 1,3,5-orthoacetate.

    PubMed

    Manoj, K; Gonnade, R G; Bhadbhade, M M; Shashidhar, M S

    2007-09-01

    Diastereomeric mixtures of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoesters associate in their crystal structures via different geometries of S=O...C=O short contacts, depending upon the substitution. A comparison of the dimeric association in the orthoacetate and orthoformate (solvated) derivatives shows a sheared parallel motif of dipolar S=O...C=O contacts bridging the former, whereas perpendicular S=O...C=O contacts occur in the latter. The title compound, C(32)H(34)O(11)S, is chiral, owing to the presence of the camphor moiety. PMID:17762132

  10. Crystallographic and infrared spectroscopic study of bond distances in Ln[Fe(CN){sub 6}].4H{sub 2}O (Ln=lanthanide)

    SciTech Connect

    Zhou Xianju; Wong, W.-T.; Faucher, Michele D.; Tanner, Peter A.

    2008-11-15

    Along with crystallographic data of Ln[Fe(CN){sub 6}].4H{sub 2}O (Ln=lanthanide), the infrared spectra are reassigned to examine bond length trends across the series of Ln. The changes in mean Ln-O, Ln-N, C{identical_to}N and Fe-C distances are discussed and the bond natures of Ln-N and Ln-O are studied by bond length linear or quadratic fitting and comparisons with relevant ionic radii. The two different C{identical_to}N bond distances have been simulated by the covalo-electrostatic model. - Graphical abstract: Crystallographic and FTIR data for Ln[Fe(CN){sub 6}].4H{sub 2}O enable the changes in Ln-O, Ln-N, C{identical_to}N and Fe-C distances to be determined and modeled across the lanthanide series.

  11. The SAURON project - XX. The Spitzer [3.6] - [4.5] colour in early-type galaxies: colours, colour gradients and inverted scaling relations

    NASA Astrophysics Data System (ADS)

    Peletier, Reynier F.; Kutdemir, Elif; van der Wolk, Guido; Falcón-Barroso, Jesús; Bacon, Roland; Bureau, Martin; Cappellari, Michele; Davies, Roger L.; de Zeeuw, P. Tim; Emsellem, Eric; Krajnović, Davor; Kuntschner, Harald; McDermid, Richard M.; Sarzi, Marc; Scott, Nicholas; Shapiro, Kristen L.; van den Bosch, Remco C. E.; van de Ven, Glenn

    2012-01-01

    We investigate the [3.6]-[4.5] Spitzer-IRAC colour behaviour of the early-type galaxies of the SAURON survey, a representative sample of 48 nearby ellipticals and lenticulars. We investigate how this colour, which is unaffected by dust extinction, can be used to constrain the stellar populations in these galaxies. We find a tight relation between the [3.6]-[4.5] colour and effective velocity dispersion, a good mass indicator in early-type galaxies: ([3.6]-[4.5])e = (-0.109 ? 0.007)?+ (0.154 ? 0.016). Contrary to other colours in the optical and near-infrared, we find that the colours become bluer for larger galaxies. The relations are tighter when using the colour inside re (scatter 0.013 mag), rather than the much smaller re/8 aperture (scatter 0.023 mag), due to the presence of young populations in the central regions. We also obtain strong correlations between the [3.6]-[4.5] colour and three strong absorption lines (H?, Mgb and Fe 5015). Comparing our data with the models of Marigo et al., which show that more metal rich galaxies are bluer, we can explain our results in a way consistent with results from the optical, by stating that larger galaxies are more metal rich. The blueing is caused by a strong CO absorption band, whose line strength increases strongly with decreasing temperature and which covers a considerable fraction of the 4.5-?m filter. In galaxies that contain a compact radio source, the [3.6]-[4.5] colour is generally slightly redder (by 0.015 ? 0.007 mag using the re/8 aperture) than in the other galaxies, indicating small amounts of either hot dust, non-thermal emission, or young stars near the centre. We find that the large majority of the galaxies show redder colours with increasing radius. Removing the regions with evidence for young stellar populations (from the H? absorption line) and interpreting the colour gradients as metallicity gradients, we find that our galaxies are more metal poor going outwards. The radial [3.6]-[4.5] gradients

  12. Detection, purification and characterization of a protein that binds the (6-4) photoproduct-containing DNA in HeLa cells.

    PubMed

    Fujiwara, Y; Masutani, C; Hanaoka, F; Iwai, S

    1997-01-01

    HeLa cell proteins that bind DNA containing the pyrimidine(6-4)pyrimidone photoproduct were detected by the electrophoretic mobility shift assay using synthetic oligonucleotide duplexes as probes. The major species was purified to near homogeneity, and the amino acid sequences of the proteolytic peptides revealed that it was the human damage-specific DNA-binding protein, which was reported previously. The substrate specificity of this protein was determined using damaged or modified DNA duplexes. PMID:9586107

  13. Construction of Azabicyclo[6.4.0]dodecatrienes Based on Rhodium(I)-Catalyzed Intramolecular [6+2] Cycloaddition between Azetidine, Allene, and Alkynes.

    PubMed

    Yasuda, Shigeo; Yokosawa, Haruna; Mukai, Chisato

    2016-01-01

    Treatment of the allenylazetidine-alkynes with a catalytic amount of [RhCl(CO)dppp]2 (dppp: 1,3-bis(diphenylphosphino)propane) effected the intramolecular hetero-[6+2]-type ring-closing reaction via the C-C bond cleavage of the azetidine ring to produce azabicyclo[6.4.0]dodecatriene derivatives in good to excellent yields. The formation of the oxa analogue could also be achieved. PMID:27373635

  14. Photoaffinity derivative of colchicine: 6'-(4'-azido-2'-nitrophenylamino)hexanoyldeacetylcolchicine. Photolabeling and location of the colchicine-binding site on the alpha-subunit of tubulin

    SciTech Connect

    Williams, R.F.; Mumford, C.L.; Williams, G.A.; Floyd, L.J.; Aivaliotis, M.J.; Martinez, R.A.; Robinson, A.K.; Barnes, L.D.

    1985-11-05

    A photoaffinity analog of colchicine, 6-(4'-azido-2'-nitrophenylamino)hexanoyldeacetylcolchicine, was synthesized by reacting deacetylcolchicine or (TH)deacetylcochicine with N-succinimidyl-6-(4'-azido-2'-nitrophenylamino)hexanoate. Homogeneity of the photoaffinity analog was established by thin-layer chromatography and high-pressure liquid chromatography. The structure of the photoaffinity analog was determined by H and TC NMR, infrared and ultraviolet-visible spectroscopies, and elemental analysis. Binding of 6-(4'-azido-2'-nitrophenylamino)hexanoyldeacetylcolchicine to bovine renal tubulin was measured by competition with (TH)colchicine. The value of the apparent Ki for the photoaffinity analog was 0.28 microM in the concentration range of 0.8-1.2 microM of the analog. A value of 0.50 microM for the apparent Kd was measured by the direct binding of the tritiated photoaffinity analog to tubulin. The analog is slightly more potent an inhibitor of microtubule formation than colchicine. The photoaffinity analog reacted with renal tubulin upon irradiation with a mercury lamp equipped with a 420-nm cutoff filter. Spectral and radiochemical analyses of the tubulin after photolysis and dialysis have demonstrated a stoichiometric incorporation of the photoaffinity analog in the alpha-subunit of the tubulin. Covalent labeling of tubulin with the photoaffinity analog decreases the extent of (TH)colchicine binding by more than 90%.

  15. Biological Macromolecule Crystallization Database

    National Institute of Standards and Technology Data Gateway

    SRD 21 Biological Macromolecule Crystallization Database (Web, free access)   The Biological Macromolecule Crystallization Database and NASA Archive for Protein Crystal Growth Data (BMCD) contains the conditions reported for the crystallization of proteins and nucleic acids used in X-ray structure determinations and archives the results of microgravity macromolecule crystallization studies.

  16. Crystallization process

    DOEpatents

    Adler, Robert J.; Brown, William R.; Auyang, Lun; Liu, Yin-Chang; Cook, W. Jeffrey

    1986-01-01

    An improved crystallization process is disclosed for separating a crystallizable material and an excluded material which is at least partially excluded from the solid phase of the crystallizable material obtained upon freezing a liquid phase of the materials. The solid phase is more dense than the liquid phase, and it is separated therefrom by relative movement with the formation of a packed bed of solid phase. The packed bed is continuously formed adjacent its lower end and passed from the liquid phase into a countercurrent flow of backwash liquid. The packed bed extends through the level of the backwash liquid to provide a drained bed of solid phase adjacent its upper end which is melted by a condensing vapor.

  17. Ribbon Crystals

    PubMed Central

    Bohr, Jakob; Markvorsen, Steen

    2013-01-01

    A repetitive crystal-like pattern is spontaneously formed upon the twisting of straight ribbons. The pattern is akin to a tessellation with isosceles triangles, and it can easily be demonstrated with ribbons cut from an overhead transparency. We give a general description of developable ribbons using a ruled procedure where ribbons are uniquely described by two generating functions. This construction defines a differentiable frame, the ribbon frame, which does not have singular points, whereby we avoid the shortcomings of the Frenet–Serret frame. The observed spontaneous pattern is modeled using planar triangles and cylindrical arcs, and the ribbon structure is shown to arise from a maximization of the end-to-end length of the ribbon, i.e. from an optimal use of ribbon length. The phenomenon is discussed in the perspectives of incompatible intrinsic geometries and of the emergence of long-range order. PMID:24098360

  18. Liquid Crystal Devices.

    ERIC Educational Resources Information Center

    Bradshaw, Madeline J.

    1983-01-01

    The nature of liquid crystals and several important liquid crystal devices are described. Ideas for practical experiments to illustrate the properties of liquid crystals and their operation in devices are also described. (Author/JN)

  19. Liquid Crystal Inquiries.

    ERIC Educational Resources Information Center

    Marroum, Renata-Maria

    1996-01-01

    Discusses the properties and classification of liquid crystals. Presents a simple experiment that illustrates the structure of liquid crystals and the differences between the various phases liquid crystals can assume. (JRH)

  20. Fully functional global genome repair of (6-4) photoproducts and compromised transcription-coupled repair of cyclobutane pyrimidine dimers in condensed mitotic chromatin

    SciTech Connect

    Komura, Jun-ichiro; Ikehata, Hironobu; Mori, Toshio; Ono, Tetsuya

    2012-03-10

    During mitosis, chromatin is highly condensed, and activities such as transcription and semiconservative replication do not occur. Consequently, the condensed condition of mitotic chromatin is assumed to inhibit DNA metabolism by impeding the access of DNA-transacting proteins. However, about 40 years ago, several researchers observed unscheduled DNA synthesis in UV-irradiated mitotic chromosomes, suggesting the presence of excision repair. We re-examined this subject by directly measuring the removal of UV-induced DNA lesions by an ELISA and by a Southern-based technique in HeLa cells arrested at mitosis. We observed that the removal of (6-4) photoproducts from the overall genome in mitotic cells was as efficient as in interphase cells. This suggests that global genome repair of (6-4) photoproducts is fully functional during mitosis, and that the DNA in mitotic chromatin is accessible to proteins involved in this mode of DNA repair. Nevertheless, not all modes of DNA repair seem fully functional during mitosis. We also observed that the removal of cyclobutane pyrimidine dimers from the dihydrofolate reductase and c-MYC genes in mitotic cells was very slow. This suggests that transcription-coupled repair of cyclobutane pyrimidine dimers is compromised or non-functional during mitosis, which is probably the consequence of mitotic transcriptional repression. -- Highlights: Black-Right-Pointing-Pointer Global genome repair of (6-4) photoproducts is fully active in mitotic cells. Black-Right-Pointing-Pointer DNA in condensed mitotic chromatin does not seem inaccessible or inert. Black-Right-Pointing-Pointer Mitotic transcriptional repression may impair transcription-coupled repair.

  1. Using Inorganic Crystals To Grow Protein Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.; Mcpherson, Alexander A.

    1989-01-01

    Solid materials serve as nucleating agents. Protein crystals induced by heterogeneous nucleation and in some cases by epitaxy to grow at lower supersaturations than needed for spontaneous nucleation. Heterogeneous nucleation makes possible to grow large, defect-free single crystals of protein more readily. Such protein crystals benefits research in biochemistry and pharmacology.

  2. The Odd Gold Isotopes and the UB(6) × UF (4) Bose-Fermi Symmetry and the U(6/4) Supersymmetry

    NASA Astrophysics Data System (ADS)

    Jolie, J.; Thomas, T.; Regis, J.-M.; Bernards, Ch.; Heinze, S.

    2013-03-01

    We have performed experiments on 193,195Au at the 10 MV Tandem accelerator in Cologne using the HORUS and Double ORANGE spectrometers and fast LaBr3(Ce) scintillators to perform γ, - γ, γ - e- and e- - e- coincidences. The level schemes were considerably extended and absolute transition rates were obtained. This allowed a detailed comparison with the predictions of the U(6/4) supersymmetry for the positive parity states in 193Au. We also present a systematic and almost parameter free description of these states in 189-199Au within the Bose-Fermi symmetry UB (6) × UF(4).

  3. Origin of anomalous electronic circular dichroism spectrum of RuPt2(tppz)2Cl2(PF6)4 in acetonitrile.

    PubMed

    Yu, Hua-Gen

    2014-07-24

    We report a theoretical study of the structures, energetics, and electronic spectra of the Pt(II)/Ru(II) mixed-metal complex RuPt2(tppz)2Cl2(PF6)4 (tppz = 2,3,5,6-tetra(2-pyridyl)pyrazine) in acetonitrile. The hybrid B3LYP density functional theory and its TDDFT methods were used with a complete basis set (CBS) extrapolation scheme and a conductor polarizable continuum model (C-PCM) for solvation effects. Results showed that the trinuclear complex has four types of stable conformers and/or enantiomers. They are separated by high barriers owing to the repulsive H/H geometrical constraints in tppz. A strong entropy effect was found for the dissociation of RuPt2(tppz)2Cl2(PF6)n in acetonitrile. The UV-visible and emission spectra of the complex were also simulated. They are in good agreement with experiments. In this work we have largely focused on exploring the origin of anomalous electronic circular dichroism (ECD) spectra of the RuPt2(tppz)2Cl2(PF6)4 complex in acetonitrile. As a result, a new mechanism has been proposed together with a clear illustration by using a physical model. PMID:25026322

  4. Mixed crystal organic scintillators

    DOEpatents

    Zaitseva, Natalia P; Carman, M Leslie; Glenn, Andrew M; Hamel, Sebastien; Hatarik, Robert; Payne, Stephen A; Stoeffl, Wolfgang

    2014-09-16

    A mixed organic crystal according to one embodiment includes a single mixed crystal having two compounds with different bandgap energies, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source, wherein the signal response signature does not include a significantly-delayed luminescence characteristic of neutrons interacting with the organic crystal relative to a luminescence characteristic of gamma rays interacting with the organic crystal. According to one embodiment, an organic crystal includes bibenzyl and stilbene or a stilbene derivative, the organic crystal having a physical property of exhibiting a signal response signature for neutrons from a radioactive source.

  5. Liquid encapsulated crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1989-01-01

    Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into an adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

  6. Liquid encapsulated crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1987-01-01

    Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into and adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

  7. Understanding the twist-bend nematic phase: the characterisation of 1-(4-cyanobiphenyl-4'-yloxy)-6-(4-cyanobiphenyl-4'-yl)hexane (CB6OCB) and comparison with CB7CB.

    PubMed

    Paterson, Daniel A; Gao, Min; Kim, Young-Ki; Jamali, Afsoon; Finley, Kirsten L; Robles-Hernández, Beatriz; Diez-Berart, Sergio; Salud, Josep; de la Fuente, M Rosario; Timimi, Bakir A; Zimmermann, Herbert; Greco, Cristina; Ferrarini, Alberta; Storey, John M D; López, David O; Lavrentovich, Oleg D; Luckhurst, Geoffrey R; Imrie, Corrie T

    2016-08-10

    The synthesis and characterisation of the nonsymmetric liquid crystal dimer, 1-(4-cyanobiphenyl-4'-yloxy)-6-(4-cyanobiphenyl-4'-yl)hexane (CB6OCB) is reported. An enantiotropic nematic (N)-twist-bend nematic (NTB) phase transition is observed at 109 °C and a nematic-isotropic phase transition at 153 °C. The NTB phase assignment has been confirmed using polarised light microscopy, freeze fracture transmission electron microscopy (FFTEM), (2)H-NMR spectroscopy, and X-ray diffraction. The effective molecular length in both the NTB and N phases indicates a locally intercalated arrangement of the molecules, and the helicoidal pitch length in the NTB phase is estimated to be 8.9 nm. The surface anchoring properties of CB6OCB on a number of aligning layers is reported. A Landau model is applied to describe high-resolution heat capacity measurements in the vicinity of the NTB-N phase transition. Both the theory and heat capacity measurements agree with a very weak first-order phase transition. A complementary extended molecular field theory was found to be in suggestive accord with the (2)H-NMR studies of CB6OCB-d2, and those already known for CB7CB-d4. These include the reduced transition temperature, TNTBN/TNI, the order parameter of the mesogenic arms in the N phase close to the NTB-N transition, and the order parameter with respect to the helix axis which is related to the conical angle for the NTB phase. PMID:27447288

  8. Pressure cryocooling protein crystals

    DOEpatents

    Kim, Chae Un; Gruner, Sol M.

    2011-10-04

    Preparation of cryocooled protein crystal is provided by use of helium pressurizing and cryocooling to obtain cryocooled protein crystal allowing collection of high resolution data and by heavier noble gas (krypton or xenon) binding followed by helium pressurizing and cryocooling to obtain cryocooled protein crystal for collection of high resolution data and SAD phasing simultaneously. The helium pressurizing is carried out on crystal coated to prevent dehydration or on crystal grown in aqueous solution in a capillary.

  9. A 6.4MB duplication of the alpha-synuclein locus causing fronto-temporal dementia and parkinsonism - phenotype-genotype correlations

    PubMed Central

    Kara, Eleanna; Kiely, Aoife P; Proukakis, Christos; Giffin, Nicola; Love, Seth; Hehir, Jason; Rantell, Khadija; Pandraud, Amelie; Hernandez, Dena G; Nacheva, Elizabeth; Pittman, Alan M; Nalls, Mike A; Singleton, Andrew B; Revesz, Tamas; Bhatia, Kailash P; Quinn, Niall; Hardy, John; Holton, Janice L; Houlden, Henry

    2015-01-01

    Importance SNCA locus duplications are associated with variable clinical features and reduced penetrance but the reasons underlying this variability are unknown. Objective 1) To report a novel family carrying a heterozygous 6.4Mb duplication of the SNCA locus with an atypical clinical presentation strongly reminiscent of frontotemporal dementia (FTD) and late-onset pallidopyramidal syndromes. 2) To study phenotype-genotype correlations in SNCA locus duplications. Design, Setting, Participants and Data sources We report the clinical and neuropathologic features of a family carrying a 6.4Mb duplication of the SNCA locus. To identify candidate disease modifiers, we undertake a genetic analysis in the family and conduct statistical analysis on previously published cases carrying SNCA locus duplication using regression modelling with robust standard errors to account for clustering at the family level. Main outcome measures To assess whether length of the SNCA locus duplication influences disease penetrance and severity, and whether extra-duplication factors have a disease-modifying role. Results We identified a large 6.4Mb duplication of the SNCA locus in this family. Neuropathological analysis showed extensive α-synuclein pathology with minimal phospho-tau pathology. Genetic analysis showed an increased burden of PD-related risk factors and the disease-predisposing H1/H1 MAPT haplotype. Statistical analysis of previously published cases suggested that there is a trend towards increasing disease severity and disease penetrance with increasing duplication size. The corresponding odds ratios (95% CI) from the univariate analyses were 1.17 (0.81 to 1.68) and 1.34 (0.78 to 2.31) respectively. Gender was significantly associated with both disease risk and severity; males compared to females had increased disease risk and severity and the corresponding odds ratios (95% CI) from the univariate analyses were 8.36 (1.97 to 35.42) and 5.55 (1.39 to 22.22) respectively

  10. A Chandra Observation of the Luminous Northeastern Rim of the Galactic Supernova Remnant W28 (G6.4-0.1)

    NASA Astrophysics Data System (ADS)

    Pannuti, Thomas

    2016-06-01

    We present an analysis of a pointed observation made of the luminous northeastern rim of the Galactic supernova remnant (SNR) W28 (G6.4-0.1) with the Chandra X-ray Observatory. W28 is the archetype for the class of SNRs known as the mixed-morphology SNRs: sources in this class of objects feature a shell-like morphology with a contrasting center-filled X-ray morphology. Almost unique amongst mixed-morphology SNRs, W28 exhibits a luminous northeastern rim which is detected in the X-ray, optical and radio: this rim is also the site of a vigorous interaction between W28 and adjacent molecular clouds, as evidenced by the high concentration of hydroxyl (OH) masers seen at this rim. Our pointed Chandra observation of this rim is the highest angular X-ray observation made of this feature: initial analysis and results will be presented and discussed.

  11. Two-fermion-four-boson description of Hg198 within the Uν(6/12)⊗Uπ(6/4) extended nuclear structure supersymmetry

    NASA Astrophysics Data System (ADS)

    Bernards, C.; Heinze, S.; Jolie, J.; Fransen, C.; Linnemann, A.; Radeck, D.

    2009-05-01

    Using the Uν(6/12)⊗Uπ(6/4) extended supersymmetry, we constructed the energy spectrum and electromagnetic transition properties of the supermultiplet member Hg198 with two proton fermions coupled to a neutron boson core. Consistency between the supersymmetric interacting boson fermion fermion approximation (IBFFA) description and the F-spin symmetric interacting boson approximation (IBA-2) description is shown for this two-fermion-N-boson multiplet member. The data of a γγ angular correlation experiment using the HORUS cube γ-ray spectrometer—determining new multipole mixing ratios, level spins, γ transitions, and energy states—shows quite a good agreement, also for the low-energy part of the spectrum, when comparing theoretical predictions and experimental data. This is contrary to the usual assumption that a two-fermion-N-boson constellation should describe just the excited two-quasiparticle states.

  12. {sup 196}Hg and the 'magical quartet' of the extended U{sub {nu}}(6/12) x U{sub {pi}}(6/4) supersymmetry

    SciTech Connect

    Bernards, C.; Heinze, S.; Jolie, J.; Albers, M.; Fransen, C.; Radeck, D.

    2010-02-15

    We present the results of a {gamma}{gamma} angular correlation experiment investigating the nucleus {sup 196}Hg and compare these with a theoretical description of {sup 196}Hg within the U{sub {nu}}(6/12) x U{sub {pi}}(6/4) extended supersymmetry. To populate excited {sup 196}Hg states, we used the Cologne FN Tandem accelerator inducing the reaction {sup 194}Pt({alpha},2n){sup 196}Hg and analyzed the {gamma} decays of levels up to an excitation energy of 2.4 MeV with the HORUS cube spectrometer. The new results on this mercury isotope allow a comparison between the experimental data and the supersymmetrical predictions and show good agreement. This way we can add {sup 196}Hg as a fifth supermultiplet member to the so-called magical quartet consisting of {sup 194,195}Pt and {sup 195,196}Au.

  13. The Reactivity of Thymine and Thymidine 5,6-Epoxides with Organometallic Reagents - A Route to Thymidine (6-4) Photoproduct Analogues.

    PubMed

    Wrigstedt, Pauli; Kavakka, Jari; Heikkinen, Sami; Nieger, Martin; Räisänen, Minna; Repo, Timo

    2016-05-01

    This report describes an efficient procedure for the generation and isolation of various thymine and thymidine 5,6-epoxides from the corresponding trans-5,6-bromohydrins by reaction with triethylamine. The quantitative isolation of the epoxides, accomplished by solvent precipitation of triethylamine hydrobromide, enabled their regiospecific ring-opening at C6 position by organometallic nucleophiles. The reaction was amenable to a broad range of alkyl, aryl, alkenyl, and alkynyl organomagnesium, -zinc, -aluminum, or -boron reagents, although the reactivity was strongly affected by the electronic effects of N3 protecting group. Additionally, the reaction featured excellent cis-diastereoselectivity providing access to C6-carbon-functionalized dihydrothymidine cis-alcohols, which are synthetic derivatives of UV-induced DNA lesions, namely, thymidine (6-4) photoproducts. PMID:27080560

  14. Viscoelastic Response of the Titanium Alloy Ti-6-4: Experimental Identification of Time- and Rate-Dependent Reversible and Irreversible Deformation Regions

    NASA Technical Reports Server (NTRS)

    Lerch, Bradley A.; Arnold, Steven M.

    2014-01-01

    In support of an effort on damage prognosis, the viscoelastic behavior of Ti-6Al-4V (Ti-6-4) was investigated. This report documents the experimental characterization of this titanium alloy. Various uniaxial tests were conducted to low load levels over the temperature range of 20 to 538 C to define tensile, creep, and relaxation behavior. A range of strain rates (6x10(exp -7) to 0.001/s) were used to document rate effects. All tests were designed to include an unloading portion, followed by a hold time at temperature to allow recovery to occur either at zero stress or strain. The titanium alloy was found to exhibit viscoelastic behavior below the "yield" point and over the entire range of temperatures (although at lower temperatures the magnitude is extremely small). These experimental data will be used for future characterization of a viscoelastic model.

  15. Electrochemical study on screen-printed carbon electrodes with modification by iron nanoparticles in Fe(CN)(6) (4-/3-) redox system.

    PubMed

    Lee, Shyh-Hwang; Fang, Hung-Yuan; Chen, Wen-Chang; Lin, Hong-Ming; Chang, C Allen

    2005-10-01

    The remarkable enhancement of electron transfer on screen-printed carbon electrodes (SPCEs) with modification by iron nanoparticles (Fe(nano)), coupled with Fe(CN)(6) (4-/3-) redox species, was characterized with an increase of electroactive area (A (ea)) at electrode surface together with a decrease of heterogeneous electron transfer rate constant (k degrees ) in the system. Hence, Fe(nano)-Fe(CN)(6) (3-) SPCEs with deposition of glucose oxidase (GOD) demonstrated a higher sensitivity to various glucose concentrations than Fe(CN)(6) (3-)/GOD-deposited SPCEs. In addition, an inhibited diffusion current from cyclic voltammograms was also observed with an increase in redox concentration and complicated the estimation of A (ea). Further analysis by the electrochemical impedance method, it was shown that this effect might be resulted from the electrode surface blocking by the products of activated complex decomposition. PMID:16136306

  16. The CYP4502D6 *4 and *6 alleles are the molecular genetic markers for drug response: implications in colchicine non-responder FMF patients.

    PubMed

    Yalcıntepe, Sinem; Ozdemır, Ozturk; Sılan, Coskun; Ozen, Filiz; Uludag, Ahmet; Candan, Ferhan; Sılan, Fatma

    2016-06-01

    The cytochrome P450 2D6 (CYP2D6) is a cytochrome P450 enzyme involved in the oxidative biotransformation of the xenobiotics, carcinogens and various clinically important drugs. Patients are evaluated in three sub-groups of extensive (EM), intermediate (IM) and poor metabolizer (PM) phenotypes due to their drug-metabolising ability for the target CYP2D6 gene. Colchicine non-responsive FMF patients were prospectively genotyped for the major CYP2D6 alleles in the current study. Major CYP2D6 alleles of *1, *3, *4, *5, and *6 were genotyped for 30 responsive and 60 non-responsive FMF patients by multiplex PCR-based reverse-hybridization StripAssay and real-time PCR methods. DNA banks isolated from blood-EDTA were retrospectively used in the current patients and results were compared statistically. Increased CYP2D6 *4 and *6 allele frequencies were highly detected in the colchicine non-responsive FMF patients when compared to the responsive group. Results showed the frequencies of major CYP2D6 *1(wild), *3(2637A > delA), *4(G1934A), *5(total gene deletion) and *6(1707T del) alleles in 0.550, 0.042, 0.158, 0.025 and 0.225 for non-responder and 0.880 and 0.120 (CYP2D6*1 and *4) for the responder groups, respectively. Despite small sample size, this study suggests that there is an association between CYP2D6*4 and CYP2D6*6 alleles and drug intoxicants in colchicine non-responder FMF patients. PMID:25645282

  17. Conserved Negative Charges in the N-terminal Tetramerization Domain Mediate Efficient Assembly of Kv2.1 and Kv2.1/Kv6.4 Channels*

    PubMed Central

    Bocksteins, Elke; Labro, Alain J.; Mayeur, Evy; Bruyns, Tine; Timmermans, Jean-Pierre; Adriaensen, Dirk; Snyders, Dirk J.

    2009-01-01

    Voltage-gated potassium (Kv) channels are transmembrane tetramers of individual α-subunits. Eight different Shaker-related Kv subfamilies have been identified in which the tetramerization domain T1, located on the intracellular N terminus, facilitates and controls the assembly of both homo- and heterotetrameric channels. Only the Kv2 α-subunits are able to form heterotetramers with members of the silent Kv subfamilies (Kv5, Kv6, Kv8, and Kv9). The T1 domain contains two subdomains, A and B box, which presumably determine subfamily specificity by preventing incompatible subunits to assemble. In contrast, little is known about the involvement of the A/B linker sequence. Both Kv2 and silent Kv subfamilies contain a fully conserved and negatively charged sequence (CDD) in this linker that is lacking in the other subfamilies. Neutralizing these aspartates in Kv2.1 by mutating them to alanines did not affect the gating properties, but reduced the current density moderately. However, charge reversal arginine substitutions strongly reduced the current density of these homotetrameric mutant Kv2.1 channels and immunocytochemistry confirmed the reduced expression at the plasma membrane. Förster resonance energy transfer measurements using confocal microscopy showed that the latter was not due to impaired trafficking, but to a failure to assemble the tetramer. This was further confirmed with co-immunoprecipitation experiments. The corresponding arginine substitution in Kv6.4 prevented its heterotetrameric interaction with Kv2.1. These results indicate that these aspartates (especially the first one) in the A/B box linker of the T1 domain are required for efficient assembly of both homotetrameric Kv2.1 and heterotetrameric Kv2.1/silent Kv6.4 channels. PMID:19717558

  18. Energy level properties of 4p{sup 6}4d{sup 3}, 4p{sup 6}4d{sup 2}4f, and 4p{sup 5}4d{sup 4} configurations of the W{sup 35+} ion

    SciTech Connect

    Bogdanovich, P. Kisielius, R.

    2014-11-15

    The ab initio quasirelativistic Hartree–Fock method developed specifically for the calculation of spectroscopic parameters of heavy atoms and highly charged ions was used to derive spectral data for the multicharged tungsten ion W{sup 35+}. The configuration interaction method was applied to include the electron-correlation effects. The relativistic effects were taken into account in the Breit–Pauli approximation for quasirelativistic Hartree–Fock radial orbitals. The energy level spectra, radiative lifetimes τ, and Lande g-factors have been calculated for the 4p{sup 6}4d{sup 3}, 4p{sup 6}4d{sup 2}4f, and 4p{sup 5}4d{sup 4} configurations of the W{sup 35+} ion.

  19. CRYSTALLIZATION IN MULTICOMPONENT GLASSES

    SciTech Connect

    KRUGER AA; HRMA PR

    2009-10-08

    In glass processing situations involving glass crystallization, various crystalline forms nucleate, grow, and dissolve, typically in a nonuniform temperature field of molten glass subjected to convection. Nuclear waste glasses are remarkable examples of multicomponent vitrified mixtures involving partial crystallization. In the glass melter, crystals form and dissolve during batch-to-glass conversion, melter processing, and product cooling. Crystals often agglomerate and sink, and they may settle at the melter bottom. Within the body of cooling glass, multiple phases crystallize in a non-uniform time-dependent temperature field. Self-organizing periodic distribution (the Liesegnang effect) is common. Various crystallization phenomena that occur in glass making are reviewed.

  20. CRYSTAL COLLIMATION AT RHIC.

    SciTech Connect

    FLILLER,III, R.P.; DREES,A.; GASSNER,D.; HAMMONS,L.; MCINTYRE,G.; PEGGS,S.; TRBOJEVIC,D.; BIRYUKOV,V.; CHESNKOV,Y.; TEREKHOV,V.

    2002-06-02

    For the year 2001 run, a bent crystal was installed in the yellow ring of the Relativistic Heavy Ion Collider (RHIC). The crystal forms the first stage of a two stage collimation system. By aligning the crystal to the beam, halo particles are channeled through the crystal and deflected into a copper scraper. The purpose is to reduce beam halo with greater efficiency than with a scraper alone. In this paper we present the first results from the use of the crystal collimator. We compare the crystal performance under various conditions, such as different particle species, and beta functions.

  1. Apparatus for growing crystals

    NASA Technical Reports Server (NTRS)

    Jasinski, Thomas J. (Inventor); Witt, August F. (Inventor)

    1986-01-01

    An improved apparatus and method for growing crystals from a melt employing a heat pipe, consisting of one or more sections, each section serving to control temperature and thermal gradients in the crystal as it forms inside the pipe.

  2. Growth of dopamine crystals

    NASA Astrophysics Data System (ADS)

    Patil, Vidya; Patki, Mugdha

    2016-05-01

    Many nonlinear optical (NLO) crystals have been identified as potential candidates in optical and electro-optical devices. Use of NLO organic crystals is expected in photonic applications. Hence organic nonlinear optical materials have been intensely investigated due to their potentially high nonlinearities, and rapid response in electro-optic effect compared to inorganic NLO materials. There are many methods to grow organic crystals such as vapor growth method, melt growth method and solution growth method. Out of these methods, solution growth method is useful in providing constraint free crystal. Single crystals of Dopamine have been grown by evaporating the solvents from aqueous solution. Crystals obtained were of the size of orders of mm. The crystal structure of dopamine was determined using XRD technique. Images of crystals were obtained using FEG SEM Quanta Series under high vacuum and low KV.

  3. InSAR analysis of the coseismic deformation of the August 11th, 2012 Ahar-Varzaghan (NW Iran) earthquakes (Mw 6.4 and 6.3)

    NASA Astrophysics Data System (ADS)

    Akoǧlu, Ahmet M.; Jónsson, Sigurjón; Çakır, Ziyadin; Zamani, Behzad; Karimzadeh, Sadra; Wang, Teng; Feng, Guangcai

    2014-05-01

    Northwestern Iran is part of a 2-km high plateau that results from the continental collision between the Arabian and Eurasian plates. The convergence is partitioned between thrust and strike-slip faults in the region (Copley and Jackson, 2006) like the right lateral North Tabriz Fault. On August 11, 2012, two earthquakes of magnitudes 6.4 and 6.3, causing a loss of 300 lives, occurred 10 minutes apart near the city of Ahar and about 40 km NE of Tabriz, which with 1.4 million inhabitants, is the 4th largest city of Iran. The locations and focal mechanism solutions of the shocks showed that at least the first shock with pure right lateral mechanism ruptured part of the Ahar fault, a prominent and major structure with a clear morphological expression in the topography. Our field observations revealed a surface rupture of ~11 km with a right lateral sense of displacement of up to 50 cm along the Ahar fault. However, a rupture length of 11 km is rather short to account for two earthquakes of magnitude 6.4 and 6.3 (Wells and Coppersmith, 1994). Thus, it is not clear whether this surface rupture was created by the first event only or partly by both since the sparse distribution of the regional seismic network does not allow a precise estimation of the earthquake epicenters. The second shock has a significant reverse component and a change in strike of nodal planes. However, no significant reverse slip was observed in the field. The second shock might therefore not have ruptured the surface or even taken place on its left lateral conjugate at depth. To resolve these issues and produce a detailed map of the corresponding surface deformation we use high-resolution scenes acquired from the Multi-Look Fine Beam mode of RADARSAT-2 which is the only SAR satellite that has gathered information over the epicentral region before and after the earthquakes. In the ascending coseismic interferogram more than 16 fringes are visible to the south of the fault zone indicating a line

  4. Crystallization from Gels

    NASA Astrophysics Data System (ADS)

    Narayana Kalkura, S.; Natarajan, Subramanian

    Among the various crystallization techniques, crystallization in gels has found wide applications in the fields of biomineralization and macromolecular crystallization in addition to crystallizing materials having nonlinear optical, ferroelectric, ferromagnetic, and other properties. Furthermore, by using this method it is possible to grow single crystals with very high perfection that are difficult to grow by other techniques. The gel method of crystallization provides an ideal technique to study crystal deposition diseases, which could lead to better understanding of their etiology. This chapter focuses on crystallization in gels of compounds that are responsible for crystal deposition diseases. The introduction is followed by a description of the various gels used, the mechanism of gelling, and the fascinating phenomenon of Liesegang ring formation, along with various gel growth techniques. The importance and scope of study on crystal deposition diseases and the need for crystal growth experiments using gel media are stressed. The various crystal deposition diseases, viz. (1) urolithiasis, (2) gout or arthritis, (3) cholelithiasis and atherosclerosis, and (4) pancreatitis and details regarding the constituents of the crystal deposits responsible for the pathological mineralization are discussed. Brief accounts of the theories of the formation of urinary stones and gallstones and the role of trace elements in urinary stone formation are also given. The crystallization in gels of (1) the urinary stone constituents, viz. calcium oxalate, calcium phosphates, uric acid, cystine, etc., (2) the constituents of the gallstones, viz. cholesterol, calcium carbonate, etc., (3) the major constituent of the pancreatic calculi, viz., calcium carbonate, and (4) cholic acid, a steroidal hormone are presented. The effect of various organic and inorganic ions, trace elements, and extracts from cereals, herbs, and fruits on the crystallization of major urinary stone and gallstone

  5. Apparatus for mounting crystal

    DOEpatents

    Longeway, Paul A.

    1985-01-01

    A thickness monitor useful in deposition or etching reactor systems comprising a crystal-controlled oscillator in which the crystal is deposited or etched to change the frequency of the oscillator. The crystal rests within a thermally conductive metallic housing and arranged to be temperature controlled. Electrode contacts are made to the surface primarily by gravity force such that the crystal is substantially free of stress otherwise induced by high temperature.

  6. Artistic Crystal Creations

    ERIC Educational Resources Information Center

    Lange, Catherine

    2008-01-01

    In this inquiry-based, integrative art and science activity, Grade 5-8 students use multicolored Epsom salt (magnesium sulfate) crystallizing solutions to reveal beautiful, cylindrical, 3-dimensional, needle-shaped structures. Through observations of the crystal art, students analyze factors that contribute to crystal size and formation, compare…

  7. Total immersion crystal growth

    NASA Technical Reports Server (NTRS)

    Morrison, Andrew D. (Inventor)

    1987-01-01

    Crystals of wide band gap materials are produced by positioning a holder receiving a seed crystal at the interface between a body of molten wide band gap material and an overlying layer of temperature-controlled, encapsulating liquid. The temperature of the layer decreases from the crystallization temperature of the crystal at the interface with the melt to a substantially lower temperature at which formation of crystal defects does not occur, suitably a temperature of 200 to 600 C. After initiation of crystal growth, the leading edge of the crystal is pulled through the layer until the leading edge of the crystal enters the ambient gas headspace which may also be temperature controlled. The length of the column of liquid encapsulant may exceed the length of the crystal such that the leading edge and trailing edge of the crystal are both simultaneously with the column of the crystal. The crystal can be pulled vertically by means of a pulling-rotation assembly or horizontally by means of a low-angle withdrawal mechanism.

  8. Protein Crystal Based Nanomaterials

    NASA Technical Reports Server (NTRS)

    Bell, Jeffrey A.; VanRoey, Patrick

    2001-01-01

    This is the final report on a NASA Grant. It concerns a description of work done, which includes: (1) Protein crystals cross-linked to form fibers; (2) Engineering of protein to favor crystallization; (3) Better knowledge-based potentials for protein-protein contacts; (4) Simulation of protein crystallization.

  9. Food Crystalization and Eggs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Food Crystalization and Eggs Deana R. Jones, Ph.D. USDA Agricultural Research Service Egg Safety and Quality Research Unit Athens, Georgia, USA Deana.Jones@ars.usda.gov Sugar, salt, lactose, tartaric acid and ice are examples of constituents than can crystallize in foods. Crystallization in a foo...

  10. Super-soft X-ray emission on day 6.4 from nova LMC N1968-12a strongly suggests a very high mass white dwarf

    NASA Astrophysics Data System (ADS)

    Page, K. L.; Osborne, J. P.; Darnley, M. J.; Henze, M.; Kuin, N. P. M.; Schwarz, G. J.; Shore, S. N.; Starrfield, S.; Williams, S. C.

    2016-01-01

    Swift observations of the 2016 outburst of LMCN 1968-12a (ATel #8578, #8586, #8587) have been continuing daily. The early XRT spectrum, covering 2016 Jan 23 - 25 (days 2.07-4.26 after outburst), can be modelled by a single temperature optically thin emission component of kT & gt; 0.9 keV and NH = (8.3 +21.7/-7.8)x1021 cm-2, with a mean 0.3-10 keV observed flux of (5.1 +8.2/-2.3)x10-13 erg cm-2 s-1. After this time, an increase in soft emission (counts below ~1 keV) was seen, although at first this appeared to be related to a decrease in the absorbing column; no corresponding increase in X-ray count rate was found, remaining around 0.016 count s-1. On 2016 Jan 27 (day 6.4), the X-ray count rate rose to 0.05 count s-1 with the emission being dominated by counts below 1 keV. We identify this as the start of the super-soft source (SSS) phase.

  11. Antispasmodic and antidiarrhoeal activities of 6-(4-hydroxy-3-methoxyphenyl)-hexanonic acid from Pycnocycla spinosa Decne. exBoiss

    PubMed Central

    Sadraei, H.; Ghanadian, M.; Asghari, G.; Madadi, E.; Azali, N.

    2014-01-01

    Pharmacological activities of 6-(4-hydroxy-3-methoxyphenyl)-hexanonic acid (HMPHA), a phenolic compound, isolated from the extract of Pycnocycla spinosa was investigated on ileum motility in vivo and in vitro. Ileum motility was examined by measuring charcoal movement through the gut in mice. In addition, antidiarrhoeal activity of HMPHA was assessed and compared with standard drug; loperamide (2 mg/kg) and the hydroalcoholic extract of P. spinosa (2 mg/kg). Furthermore, concentration response curve to contraction induced by acetylcholine (ACh), 5-hydroxy triptamine (5-HT) and electrical field stimulation (EFS) were obtained after incubation of ileum segment with various concentrations of HMPHA or hydroalcoholic extract of P. spinosa. HMPHA (2 mg/kg and 5 mg/kg, orally) significantly inhibited gut movements in vivo and reduced diarrhoea induced by castor oil or sulphate magnesium. In addition, HMPHA reduced ileum contraction induced by ACh (IC50=33 ± 6 μg/ml), 5-HT (IC50=87 ± 12 μg/ml) and EFS (IC50=36 ± 3 μg/ml) in vitro in a concentration-dependent manner. The inhibitory effect was reversible following washing off the drug. These studies indicate that HMPHA as an active component of P. spinosa extract has significant antispasmodic and antidiarrhoeal activities and therefore, has the potential as a lead compound for further development of a new spasmolytic remedy. PMID:25657799

  12. High-elevation paleoenvironmental change during MIS 6-4 in the central Rockies of Colorado as determined from pollen analysis

    NASA Astrophysics Data System (ADS)

    Anderson, R. Scott; Jiménez-Moreno, Gonzalo; Ager, Thomas; Porinchu, David F.

    2014-11-01

    Paleoecological studies from Rocky Mountain (USA) high elevations encompassing the previous interglacial (MIS 5e) are rare. The ~ 10-m composite profile from the Ziegler Reservoir fossil site (2705 m asl) of central Colorado allows us to determine paleoenvironments from Marine Oxygen Isotope Stages (MIS) 6- 4 using pollen zones that are approximately equivalent to marine oxygen isotope stages. During Pollen Zone (PZ) 6 time, pollen assemblages dominated by Artemisia (sagebrush) suggest that alpine tundra or steppe occurred nearby. The transition to PZ 5e was characterized by a rapid increase in tree pollen, initially Picea (spruce) and Pinus (pine) but also Quercus (oak) and Pseudotsuga menziesii (Douglas-fir). Non-arboreal pollen (NAP) types increased during PZ 5d, while Abies (fir) and Juniperus (juniper) increased during PZ 5c. Pollen evidence suggests that temperatures during PZ 5b were as cold as during PZ 6, with the site again surrounded by alpine tundra. Picea dominated during PZ 5a before the onset of cooler conditions during PZ 4. The MIS 6-MIS 5e transition here was similar to the MIS 2-MIS 1 transition at other Rocky Mountain sites. However, the Ziegler Reservoir pollen record contains evidence suggesting unexpected climatic trends at this site, including a warmer-than-expected MIS 5d and cooler-than-expected MIS 5b.

  13. FRACTURE TOUGHNESS OF 6.4 MM (0.25 INCH) ARC-CAST MOLOBDENUM AND MOLYBDENUM-TZM PLATE AT ROOM TEMPERATURE AND 300 DEGREES C

    SciTech Connect

    J. A. SHIELDS, JR.; P. LIPETZKY; A. J. MUELLER

    2001-04-11

    THE FRACTURE TOUGHNESS OF 6.4 mm (0.25 INCH) LOW CARBON ARC-CAST (LCAC) MOLYBDENUM AND ARC-CAST MOLYBDENUM-TZM ALLOY PLATE WERE MEASURED AT ROOM TEMPERATURE AND 300 DEGREES C USING COMPACT TNESION SPECIMENTS. THE EFFECT OF CRACK PLANE ORIENTATION (LONGITUDINAL VS. TRANSVERSE) AND ANNEALING PRACTICE (STRESS-RELIEVED VS. RECRYSTALLIZED) WERE EVALUATED. DEPENDING UPON THE TEST TEMPERATURE EITHER A STANDARD K[SUB]IC OR A J-INTEGRAL ANALYSIS WAS USED TO OBTAIN THE TOUGHNESS VALUE. AT ROOM TEMPERATURE, REGARDLESS OF ALLOY, ORIENTATION, OR MICROSTURECTURE, FRACTURE TOUGHNESS VALUES BETWEEN 15 AND 22 MPa m{sup 1/2} (14 AND 20 KSI IN{sup 1/2}) WERE MEASURED. THESE K[SUB]IC VALUES WERE CONSISTENT WITH MEASUREMENTS BY THE AUTHORS. INCREASING TEMPERATURE IMPROVES THE TOUGHNESS, DUE TO THE FACT THAT ONE TAKES ADVANTAGE OF THE DUCTIVE-BRITTLE TRANSITION BEHAVIOR OF MOLYBDENUM. AT 300 DEGREES C, THE FRACTURE TOUGHNESS OF RECRYSTALLIZED LCAC AND ARC-CAST TZM MOLYBDENUM WERE ALSO SIMILAR AT APPROXI MATELY 64 MPa m{sup 1/2} (58 KSI IN{sup 1/2}). IN THE STRESS-RELIEVED CONDITION, HOWEVER, THE TOUGHNESS OF ARC-CAST TZM (91 MPa m{sup 1/2}/83 KSI IN{sup 1/2}) WAS HIGHER THAN THAT OF THE LCAC MOLYBDENUM (74 MPa m{sup 1/2}/67 KSI IN{sup 1/2}).

  14. The 26 May 2006 magnitude 6.4 Yogyakarta earthquake south of Mt. Merapi volcano: Did lahar deposits amplify ground shaking and thus lead to the disaster?

    NASA Astrophysics Data System (ADS)

    Walter, T. R.; Wang, R.; Luehr, B.-G.; Wassermann, J.; Behr, Y.; Parolai, S.; Anggraini, A.; Günther, E.; Sobiesiak, M.; Grosser, H.; Wetzel, H.-U.; Milkereit, C.; Sri Brotopuspito, P. J. K.; Harjadi, P.; Zschau, J.

    2008-05-01

    Indonesia is repeatedly unsettled by severe volcano- and earthquake-related disasters, which are geologically coupled to the 5-7 cm/a tectonic convergence of the Australian plate beneath the Sunda Plate. On Saturday, 26 May 2006, the southern coast of central Java was struck by an earthquake at 2254 UTC in the Sultanate Yogyakarta. Although the magnitude reached only M w = 6.4, it left more than 6,000 fatalities and up to 1,000,000 homeless. The main disaster area was south of Mt. Merapi Volcano, located within a narrow topographic and structural depression along the Opak River. The earthquake disaster area within the depression is underlain by thick volcaniclastic deposits commonly derived in the form of lahars from Mt. Merapi Volcano, which had a major influence leading to the disaster. In order to more precisely understand this earthquake and its consequences, a 3-month aftershock measurement campaign was performed from May to August 2006. We here present the first location results, which suggest that the Yogyakarta earthquake occurred at 10-20 km distance east of the disaster area, outside of the topographic depression. Using simple model calculations taking material heterogeneity into account we illustrate how soft volcaniclastic deposits may locally amplify ground shaking at distance. As the high degree of observed damage may have been augmented by the seismic response of the volcaniclastic Mt. Merapi deposits, this work implies that the volcano had an indirect effect on the level of earthquake destruction.

  15. 6-(4-Amino-2-butyl-imidazoquinolyl)-norleucine: Toll-like receptor 7 and 8 agonist amino acid for self-adjuvanting peptide vaccine.

    PubMed

    Fujita, Yoshio; Hirai, Kazuyuki; Nishida, Keigo; Taguchi, Hiroaki

    2016-05-01

    Generally, small peptides by themselves are weak to induce antibody responses. Toll-like receptor (TLR) ligands are attractive candidates of vaccine adjuvants to improve their antigenicity. The covalent conjugation of TLR ligands with antigens to produce self-adjuvanting peptide vaccine is a promising approach. Based on the structure of TLR7/8 ligands, a series of synthetic amino acids 6-imidazoquinolyl-norleucines were synthesized, wherein an imidazoquinoline structure as the TLR7/8 agonistic pharmacophores was constructed on the ε-NH2 group of Lys. Of them, 6-(4-amino-2-butyl-imidazoquinolyl)-norleucine showed the most potent TLR7 and TLR8 agonistic activities with EC50 values of 8.55 and 106 μM, respectively. Subsequently, mice were immunized with the influenza A virus M2e antigen mixed with or covalently conjugated to the TLR7/8 agonist amino acid, which led to induction of M2e specific antibody productions in the absence of other adjuvant. We successfully developed a novel efficient tool for self-adjuvanting peptide vaccines targeting TLR7/8. PMID:26874701

  16. Construction and 13C NMR signal-amplification efficiency of a dynamic nuclear polarizer at 6.4 T and 1.4 K

    NASA Astrophysics Data System (ADS)

    Kiswandhi, Andhika; Niedbalski, Peter; Parish, Christopher; Ferguson, Sarah; Taylor, David; McDonald, George; Lumata, Lloyd

    Dissolution dynamic nuclear polarization (DNP) is a rapidly emerging technique in biomedical and metabolic imaging since it amplifies the liquid-state nuclear magnetic resonance (NMR) and imaging (MRI) signals by >10,000-fold. Originally used in nuclear scattering experiments, DNP works by creating a non-Boltzmann nuclear spin distribution by transferring the high electron (γ = 28,000 MHz/T) thermal polarization to the nuclear spins via microwave irradiation of the sample at high magnetic field and low temperature. A dissolution device is used to rapidly dissolve the frozen sample and consequently produces an injectable ``hyperpolarized'' liquid at physiologically-tolerable temperature. Here we report the construction and performance evaluation of a dissolution DNP hyperpolarizer at 6.4 T and 1.4 K using a continuous-flow cryostat. The solid and liquid-state 13C NMR signal enhancement levels of 13C acetate samples doped with trityl OX063 and 4-oxo-TEMPO free radicals will be discussed and compared with the results from the 3.35 T commercial hyperpolarizer. This work is supported by US Dept of Defense Award No. W81XWH-14-1-0048 and Robert A. Welch Foundation Grant No. AT-1877.

  17. Polyamine Resistance Is Increased by Mutations in a Nitrate Transporter Gene NRT1.3 (AtNPF6.4) in Arabidopsis thaliana

    PubMed Central

    Tong, Wurina; Imai, Akihiro; Tabata, Ryo; Shigenobu, Shuji; Yamaguchi, Katsushi; Yamada, Masashi; Hasebe, Mitsuyasu; Sawa, Shinichiro; Motose, Hiroyasu; Takahashi, Taku

    2016-01-01

    Polyamines are small basic compounds present in all living organisms and act in a variety of biological processes. However, the mechanism of polyamine sensing, signaling and response in relation to other metabolic pathways remains to be fully addressed in plant cells. As one approach, we isolated Arabidopsis mutants that show increased resistance to spermine in terms of chlorosis. We show here that two of the mutants have a point mutation in a nitrate transporter gene of the NRT1/PTR family (NPF), NRT1.3 (AtNPF6.4). These mutants also exhibit increased resistance to putrescine and spermidine while loss-of-function mutants of the two closest homologs of NRT1.3, root-specific NRT1.1 (AtNPF6.3) and petiole-specific NRT1.4 (AtNPF6.2), were shown to have a normal sensitivity to polyamines. When the GUS reporter gene was expressed under the control of the NRT1.3 promoter, GUS staining was observed in leaf mesophyll cells and stem cortex cells but not in the epidermis, suggesting that NRT1.3 specifically functions in parenchymal tissues. We further found that the aerial part of the mutant seedling has normal levels of polyamines but shows reduced uptake of norspermidine compared with the wild type. These results suggest that polyamine transport or metabolism is associated with nitrate transport in the parenchymal tissue of the shoot. PMID:27379127

  18. Pure 2D vortex-glass phase transition with Tg = 0 K in deoxygenated YBa2Cu3O6.4 thin films

    NASA Astrophysics Data System (ADS)

    Sefrioui, Z.; Arias, D.; Varela, M.; López de la Torre, M. A.; León, C.; Loos, G. D.; Santamaría, J.

    1999-12-01

    Non-linear I-V characteristics have been measured on high-quality deoxygenated YBa2Cu3O6.4 thin films, in magnetic fields up to 8 T. Critical scaling analysis of the current-voltage data demonstrates the existence of a pure two-dimensional vortex-glass transition with Tg = 0 for high magnetic fields (7, 8 T). The validity of the pure 2D vortex-glass model in our samples is checked with the linear resistivity term and the non-linear current density. The linear resistivity ρlin(T) propto exp [ - (T0/T)p] from resistivity vs. temperature and current-voltage measurements, produces the parameters p (p = 0.78 for H = 7 T, p = 0.73 for H = 8 T) and T0 (230 K) used for the scaling analysis. The non-linear current density jnl exhibits a power law temperature dependence jnl(T) propto T3 suggesting ν2D = 2 as predicted by the 2D vortex-glass theory. The values of the exponent p obtained in this study are in good agreement with the predictions of the quantum theory of vortex tunneling.

  19. The Inhibitory Mechanisms Study of 5,6,4'-Trihydroxy-7,3'-Dimethoxyflavone against the LPS-Induced Macrophage Inflammatory Responses through the Antioxidant Ability.

    PubMed

    Wang, Shih-Hao; Liang, Chia-Hua; Liang, Fong-Pin; Ding, Hsiou-Yu; Lin, Shiuan-Pey; Huang, Guan-Jhong; Lin, Wen-Chuan; Juang, Shin-Hun

    2016-01-01

    The whole plant of Anisomeles ovata has been widely used in Taiwan for treating inflammation-related skin and liver diseases, however, the detailed pharmacology mechanisms have yet to be elucidated. In the present study, one of the major components, 5,6,4'-trihydroxy-7,3'-dimethoxyflavone (5-TDMF), was purified from a methanol extract of Anisomeles ovata. A pharmacological study of this compound suggests that 5-TDMF possesses potent free radical scavenging activity both in vitro and ex vivo. Furthermore, 5-TDMF reduces nitric oxide and pro-inflammatory cytokine production in LPC-treated RAW 264.7 cells through the attenuation of nitric oxide synthase and cyclooxygenase-2. Additional experiments suggest that of 5-TDMF interferes with nuclear factor-κB translocation and mitogen-activated protein kinase pathways. These results identify 5-TDMF as an anti-oxidant and anti-inflammatory compound, explain the pharmacologic function of Anisomeles ovata and suggest its great potential as a new anti-inflammatory remedy. PMID:26805809

  20. The Microstructure Evolution and Processing Map of Ni-18.3Cr-6.4Co-5.9W-4Mo Superalloy During Hot Deformation

    NASA Astrophysics Data System (ADS)

    Qin, Shengxue; Liu, Jie; Zhang, Hongbin; Zhang, Kaifeng

    2016-06-01

    The processing map and microstructure evolution of Ni-18.3Cr-6.4Co-5.9W-4Mo superalloy were investigated in the temperature range of 1010-1160 °C and strain rate range of 0.001-1 s-1 by means of hot compression tests. According to the processing map, the optimum processing parameters were located in the temperature range of 1100-1160 °C and strain rate range of 0.01-0.3 s-1. The carbides in the alloy contributed to form a fine grain microstructure. In addition, four different instability criteria of Prasad, Gegel, Malas, and Murty were used to predict the unstable domains in the processing map. Meanwhile, the microstructure observations revealed that the unstable domain predicted by Murty's instability criterion was very effective at high strain rate, which was the best choice for the studied alloy. Furthermore, the electron backscattered diffraction technique was used to detect the Σ3 boundaries and the adiabatic shear bands in the alloy. The results revealed that the fractions of Σ3 boundaries in the alloy deformed at 1100 °C/0.01 s-1 and 1160 °C/0.1 s-1 reached about 25 and 27%, respectively. Meanwhile, the fraction of low-angle grain boundaries and dislocation density were relatively high in the adiabatic shear band.

  1. Two saturable recognition sites for (-) (125I)iodo-N6-(4-hydroxyphenyl-isopropyl)-adenosine binding on purified cardiac sarcolemma

    SciTech Connect

    Hausleithner, V.; Freissmuth, M.; Schuetz, W.

    1986-01-01

    Analysis of (-) (125)iodo-N6-(4-hydroxyphenylisopropyl)-adenosine (( /sup 125/I)HPIA) binding to purified sarcolemmal preparations of guinea pig and bovine hearts revealed two classes of binding sites when unlabeled iodo-HPIA (100 mumol/l) was used as non-specific binding marker. In the presence of 1 mmol/l theophylline, however, only the high affinity component was detected. Adenosine receptor agonists caused biphasic displacement of (/sup 125/I)HPIA binding, with a high affinity potency rank order typical of interaction with A1-adenosine receptors. Biphasic competition curves were also observed with 8-phenyltheophylline and isobutylmethylxanthine, whereas the theophylline curve was monophasic up to 1 mmol/l. In brain membranes, specific binding of (/sup 125/I)HPIA as well as of (/sup 3/H)PIA was further reduced when unlabeled iodo-HPIA replaces theophylline as the non-specific binding marker. These results suggest the presence of two (/sup 125/I)HPIA binding sites on cardiac sarcolemma and brain membranes, but receptor function can only be ascribed to the high affinity sites. The low affinity site probably represents an artefact, which is often observed when non-specific binding is defined with the unlabeled counterpart or a structurally related ligand of the radioligand used.

  2. Protein crystallization with paper

    NASA Astrophysics Data System (ADS)

    Matsuoka, Miki; Kakinouchi, Keisuke; Adachi, Hiroaki; Maruyama, Mihoko; Sugiyama, Shigeru; Sano, Satoshi; Yoshikawa, Hiroshi Y.; Takahashi, Yoshinori; Yoshimura, Masashi; Matsumura, Hiroyoshi; Murakami, Satoshi; Inoue, Tsuyoshi; Mori, Yusuke; Takano, Kazufumi

    2016-05-01

    We developed a new protein crystallization method that incorporates paper. A small piece of paper, such as facial tissue or KimWipes, was added to a drop of protein solution in the traditional sitting drop vapor diffusion technique, and protein crystals grew by incorporating paper. By this method, we achieved the growth of protein crystals with reducing osmotic shock. Because the technique is very simple and the materials are easy to obtain, this method will come into wide use for protein crystallization. In the future, it could be applied to nanoliter-scale crystallization screening on a paper sheet such as in inkjet printing.

  3. Crystallography of icosahedral crystals

    NASA Astrophysics Data System (ADS)

    Bak, P.

    The crystallography of icosahedral crystals is constructed. The actual three-dimensional crystal is represented by a three-dimensional cut in a regular six-dimensional periodic crystal with symmetry described by a six-dimensional space group, and the positions of atoms correspond to an arrangement of hypersurface segments. The resulting crystal cannot in general be viewed as a space-filling arrangemment of a small number of different Penrose tiles. The intensities of Bragg spots are given directly as the intensities of Bragg spots of the six-dimensional crystal.

  4. Photonic crystal light source

    DOEpatents

    Fleming, James G.; Lin, Shawn-Yu; Bur, James A.

    2004-07-27

    A light source is provided by a photonic crystal having an enhanced photonic density-of-states over a band of frequencies and wherein at least one of the dielectric materials of the photonic crystal has a complex dielectric constant, thereby producing enhanced light emission at the band of frequencies when the photonic crystal is heated. The dielectric material can be a metal, such as tungsten. The spectral properties of the light source can be easily tuned by modification of the photonic crystal structure and materials. The photonic crystal light source can be heated electrically or other heating means. The light source can further include additional photonic crystals that exhibit enhanced light emission at a different band of frequencies to provide for color mixing. The photonic crystal light source may have applications in optical telecommunications, information displays, energy conversion, sensors, and other optical applications.

  5. Protein Crystal Growth

    NASA Technical Reports Server (NTRS)

    2003-01-01

    In order to rapidly and efficiently grow crystals, tools were needed to automatically identify and analyze the growing process of protein crystals. To meet this need, Diversified Scientific, Inc. (DSI), with the support of a Small Business Innovation Research (SBIR) contract from NASA s Marshall Space Flight Center, developed CrystalScore(trademark), the first automated image acquisition, analysis, and archiving system designed specifically for the macromolecular crystal growing community. It offers automated hardware control, image and data archiving, image processing, a searchable database, and surface plotting of experimental data. CrystalScore is currently being used by numerous pharmaceutical companies and academic and nonprofit research centers. DSI, located in Birmingham, Alabama, was awarded the patent Method for acquiring, storing, and analyzing crystal images on March 4, 2003. Another DSI product made possible by Marshall SBIR funding is VaporPro(trademark), a unique, comprehensive system that allows for the automated control of vapor diffusion for crystallization experiments.

  6. Welding Molecular Crystals.

    PubMed

    Adolf, Cyril R R; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais

    2015-12-16

    Both for fundamental and applied sciences, the design of complex molecular systems in the crystalline phase with strict control of order and periodicity at both microscopic and macroscopic levels is of prime importance for development of new solid-state materials and devices. The design and fabrication of complex crystalline systems as networks of crystals displaying task-specific properties is a step toward smart materials. Here we report on isostructural and almost isometric molecular crystals of different colors, their use for fabrication of core-shell crystals, and their welding by 3D epitaxial growth into networks of crystals as single-crystalline entities. Welding of crystals by self-assembly processes into macroscopic networks of crystals is a powerful strategy for the design of hierarchically organized periodic complex architectures composed of different subdomains displaying targeted characteristics. Crystal welding may be regarded as a first step toward the design of new hierarchically organized complex crystalline systems. PMID:26581391

  7. Crystallization of PTP Domains.

    PubMed

    Levy, Colin; Adams, James; Tabernero, Lydia

    2016-01-01

    Protein crystallography is the most powerful method to obtain atomic resolution information on the three-dimensional structure of proteins. An essential step towards determining the crystallographic structure of a protein is to produce good quality crystals from a concentrated sample of purified protein. These crystals are then used to obtain X-ray diffraction data necessary to determine the 3D structure by direct phasing or molecular replacement if the model of a homologous protein is available. Here, we describe the main approaches and techniques to obtain suitable crystals for X-ray diffraction. We include tools and guidance on how to evaluate and design the protein construct, how to prepare Se-methionine derivatized protein, how to assess the stability and quality of the sample, and how to crystallize and prepare crystals for diffraction experiments. While general strategies for protein crystallization are summarized, specific examples of the application of these strategies to the crystallization of PTP domains are discussed. PMID:27514806

  8. Macromolecular Crystallization in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Helliwell, John R.

    2004-01-01

    The key concepts that attracted crystal growers, macromolecular or solid state, to microgravity research is that density difference fluid flows and sedimentation of the growing crystals are greatly reduced. Thus, defects and flaws in the crystals can be reduced, even eliminated, and crystal volume can be increased. Macromolecular crystallography differs from the field of crystalline semiconductors. For the latter, crystals are harnessed for their electrical behaviors. A crystal of a biological macromolecule is used instead for diffraction experiments (X-ray or neutron) to determine the three-dimensional structure of the macromolecule. The better the internal order of the crystal of a biological macromolecule then the more molecular structure detail that can be extracted. This structural information that enables an understanding of how the molecule functions. This knowledge is changing the biological and chemical sciences with major potential in understanding disease pathologies. Macromolecular structural crystallography in general is a remarkable field where physics, biology, chemistry, and mathematics meet to enable insight to the basic fundamentals of life. In this review, we examine the use of microgravity as an environment to grow macromolecular crystals. We describe the crystallization procedures used on the ground, how the resulting crystals are studied and the knowledge obtained from those crystals. We address the features desired in an ordered crystal and the techniques used to evaluate those features in detail. We then introduce the microgravity environment, the techniques to access that environment, and the theory and evidence behind the use of microgravity for crystallization experiments. We describe how ground-based laboratory techniques have been adapted to microgravity flights and look at some of the methods used to analyze the resulting data. Several case studies illustrate the physical crystal quality improvements and the macromolecular structural

  9. Resistance of the genome of Escherichia coli and Listeria monocytogenes to irradiation evaluated by the induction of cyclobutane pyrimidine dimers and 6-4 photoproducts using gamma and UV-C radiations

    NASA Astrophysics Data System (ADS)

    Beauchamp, S.; Lacroix, M.

    2012-08-01

    The effect of gamma and UV-C irradiation on the production of cyclobutane pyrimidine dimers (CPDs) and 6-4 photoproducts (6-4 PPs) in DNA was investigated to compare the natural resistance of the genome of a Gram-positive bacterium and a Gram-negative bacterium against irradiation. Solution of pure DNA and bacterial strains Listeria monocytogenes and Escherichia coli were irradiated using gamma and UV-C rays. Extracted DNA from bacteria and pure DNA samples were then analysed by ELISA using anti-CPDs and anti-6-4 PPs monoclonal antibodies. The results show that gamma rays, as well as UV-C rays, induce the formation of CPDs and 6-4 PPs in DNA. During UV-C irradiation, the three samples showed a difference in their sensitivity against formation of CPDs (P≤0.05). Pure DNA was the most sensitive while the genome of L. monocytogenes was the most resistant. Also during UV-C irradiation, the genome of L. monocytogenes was the only one to show a significant resistance against formation of 6-4 PPs (P≤0.05). During gamma irradiation, for both types of lesion, pure DNA and the genome of E. coli did not show significant difference in their sensitivity (P>0.05) while the genome of L. monocytogenes showed a resistance against formation of CPDs and 6-4 PPs.

  10. A comparison of classical and intelligent methods to detect potential thermal anomalies before the 11 August 2012 Varzeghan, Iran, earthquake (Mw = 6.4)

    NASA Astrophysics Data System (ADS)

    Akhoondzadeh, M.

    2013-04-01

    In this paper, a number of classical and intelligent methods, including interquartile, autoregressive integrated moving average (ARIMA), artificial neural network (ANN) and support vector machine (SVM), have been proposed to quantify potential thermal anomalies around the time of the 11 August 2012 Varzeghan, Iran, earthquake (Mw = 6.4). The duration of the data set, which is comprised of Aqua-MODIS land surface temperature (LST) night-time snapshot images, is 62 days. In order to quantify variations of LST data obtained from satellite images, the air temperature (AT) data derived from the meteorological station close to the earthquake epicenter has been taken into account. For the models examined here, results indicate the following: (i) ARIMA models, which are the most widely used in the time series community for short-term forecasting, are quickly and easily implemented, and can efficiently act through linear solutions. (ii) A multilayer perceptron (MLP) feed-forward neural network can be a suitable non-parametric method to detect the anomalous changes of a non-linear time series such as variations of LST. (iii) Since SVMs are often used due to their many advantages for classification and regression tasks, it can be shown that, if the difference between the predicted value using the SVM method and the observed value exceeds the pre-defined threshold value, then the observed value could be regarded as an anomaly. (iv) ANN and SVM methods could be powerful tools in modeling complex phenomena such as earthquake precursor time series where we may not know what the underlying data generating process is. There is good agreement in the results obtained from the different methods for quantifying potential anomalies in a given LST time series. This paper indicates that the detection of the potential thermal anomalies derive credibility from the overall efficiencies and potentialities of the four integrated methods.

  11. Interplate seismicity at the CRISP drilling site: The 2002 Mw 6.4 Osa Earthquake at the southeastern end of the Middle America Trench

    NASA Astrophysics Data System (ADS)

    Arroyo, Ivonne G.; Grevemeyer, Ingo; Ranero, Cesar R.; von Huene, Roland

    2014-07-01

    investigate potential relations between variations in seafloor relief and age of the incoming plate and interplate seismicity. Westward from Osa Peninsula in Costa Rica, a major change in the character of the incoming Cocos Plate is displayed by abrupt lateral variations in seafloor depth and thermal structure. Here a Mw 6.4 thrust earthquake was followed by three aftershock clusters in June 2002. Initial relocations indicate that the main shock occurred fairly trenchward of most large earthquakes along the Middle America Trench off central Costa Rica. The earthquake sequence occurred while a temporary network of OBH and land stations ˜80 km to the northwest were deployed. By adding readings from permanent local stations, we obtain uncommon P wave coverage of a large subduction zone earthquake. We relocate this catalog using a nonlinear probabilistic approach within both, a 1-D and a 3-D P wave velocity models. The main shock occurred ˜25 km from the trench and probably along the plate interface at 5-10 km depth. We analyze teleseismic data to further constrain the rupture process of the main shock. The best depth estimates indicate that most of the seismic energy was radiated at shallow depth below the continental slope, supporting the nucleation of the Osa earthquake at ˜6 km depth. The location and depth coincide with the plate boundary imaged in prestack depth-migrated reflection lines shot near the nucleation area. Aftershocks propagated downdip to the area of a 1999 Mw 6.9 sequence and partially overlapped it. The results indicate that underthrusting of the young and buoyant Cocos Ridge has created conditions for interplate seismogenesis shallower and closer to the trench axis than elsewhere along the central Costa Rica margin.

  12. Stochastic finite-fault simulation of ground motion from the August 11, 2012, M w 6.4 Ahar earthquake, northwestern Iran

    NASA Astrophysics Data System (ADS)

    Heidari, Reza

    2016-04-01

    In this study, the 11 August 2012 M w 6.4 Ahar earthquake is investigated using the ground motion simulation based on the stochastic finite-fault model. The earthquake occurred in northwestern Iran and causing extensive damage in the city of Ahar and surrounding areas. A network consisting of 58 acceleration stations recorded the earthquake within 8-217 km of the epicenter. Strong ground motion records from six significant well-recorded stations close to the epicenter have been simulated. These stations are installed in areas which experienced significant structural damage and humanity loss during the earthquake. The simulation is carried out using the dynamic corner frequency model of rupture propagation by extended fault simulation program (EXSIM). For this purpose, the propagation features of shear-wave including {Q}_s value, kappa value {k}_0 , and soil amplification coefficients at each site are required. The kappa values are obtained from the slope of smoothed amplitude of Fourier spectra of acceleration at higher frequencies. The determined kappa values for vertical and horizontal components are 0.02 and 0.05 s, respectively. Furthermore, an anelastic attenuation parameter is derived from energy decay of a seismic wave by using continuous wavelet transform (CWT) for each station. The average frequency-dependent relation estimated for the region is Q=(122± 38){f}^{(1.40± 0.16)}. Moreover, the horizontal to vertical spectral ratio H/V is applied to estimate the site effects at stations. Spectral analysis of the data indicates that the best match between the observed and simulated spectra occurs for an average stress drop of 70 bars. Finally, the simulated and observed results are compared with pseudo acceleration spectra and peak ground motions. The comparison of time series spectra shows good agreement between the observed and the simulated waveforms at frequencies of engineering interest.

  13. Thrust faulting and 3D ground deformation of the 3 July 2015 Mw 6.4 Pishan, China earthquake from Sentinel-1A radar interferometry

    NASA Astrophysics Data System (ADS)

    Sun, Jianbao; Shen, Zheng-Kang; Li, Tao; Chen, Jie

    2016-06-01

    Boosted by the launch of Sentinel-1A radar satellite from the European Space Agency (ESA), we now have the opportunity of fast, full and multiple coverage of the land based deformation field of earthquakes. Here we use the data to investigate a strong earthquake struck Pishan, western China on July 3, 2015. The earthquake fault is blind and no ground break features are found on-site, thus Synthetic Aperture Radar (SAR) data give full play to its technical advantage for the recovery of coseismic deformation field. By using the Sentinel-1A radar data in the Interferometric Wide Swath mode, we obtain 3 tracks of InSAR data over the struck region, and resolve the 3D ground deformation generated by the earthquake. Then the Line-of-Sight (LOS) InSAR data are inverted for the slip-distribution of the seismogenic fault. The final model shows that the earthquake is completely blind with pure-thrust motion. The maximum slip is ~ 0.48 m at a depth of ~ 7 km, consistent with the depth estimate from seismic reflection data. In particular, the inverted model is also compatible with a south-dipping fault ramp among a group of fault interfaces detected by the seismic reflection profile over the region. The seismic moment obtained equals to a Mw 6.4 earthquake. The Pishan earthquake ruptured the frontal part of the thrust ramps under the Slik anticline, and unloaded the coulomb stress of them. However, it may have loaded stress to the back-thrust above the thrust ramps by ~ 1-4 bar, and promoted it for future failure. Moreover, the stress loading on the west side of the earthquake fault is much larger than that on the east side, indicating a higher risk for failure to the west of the Zepu fault.

  14. REDSHIFT 6.4 HOST GALAXIES OF 10{sup 8} SOLAR MASS BLACK HOLES: LOW STAR FORMATION RATE AND DYNAMICAL MASS

    SciTech Connect

    Willott, Chris J.; Omont, Alain; Bergeron, Jacqueline

    2013-06-10

    We present Atacama Large Millimeter Array observations of rest-frame far-infrared continuum and [C II] line emission in two z = 6.4 quasars with black hole masses of Almost-Equal-To 10{sup 8} M{sub Sun }. CFHQS J0210-0456 is detected in the continuum with a 1.2 mm flux of 120 {+-} 35 {mu}Jy, whereas CFHQS J2329-0301 is undetected at a similar noise level. J2329-0301 has a star formation rate limit of <40 M{sub Sun} yr{sup -1}, considerably below the typical value at all redshifts for this bolometric luminosity. Through comparison with hydro simulations, we speculate that this quasar is observed at a relatively rare phase where quasar feedback has effectively shut down star formation in the host galaxy. [C II] emission is also detected only in J0210-0456. The ratio of [C II] to far-infrared luminosity is similar to that of low-redshift galaxies of comparable luminosity, suggesting that the previous finding of an offset in the relationships between this ratio and far-infrared luminosity at low and high redshifts may be partially due to a selection effect due to the limited sensitivity of previous continuum data. The [C II] line of J0210-0456 is relatively narrow (FWHM = 189 {+-} 18 km s{sup -1}), indicating a dynamical mass substantially lower than expected from the local black hole-velocity dispersion correlation. The [C II] line is marginally resolved at 0.''7 resolution with the blue and red wings spatially offset by 0.''5 (3 kpc) and a smooth velocity gradient of 100 km s{sup -1} across a scale of 6 kpc, possibly due to the rotation of a galaxy-wide disk. These observations are consistent with the idea that stellar mass growth lags black hole accretion for quasars at this epoch with respect to more recent times.

  15. Source model of the 2015 Mw 6.4 Pishan earthquake constrained by interferometric synthetic aperture radar and GPS: Insight into blind rupture in the western Kunlun Shan

    NASA Astrophysics Data System (ADS)

    He, Ping; Wang, Qi; Ding, Kaihua; Wang, Min; Qiao, Xuejun; Li, Jie; Wen, Yangmao; Xu, Caijun; Yang, Shaomin; Zou, Rong

    2016-02-01

    The Pishan, Xinjiang, earthquake on 3 July 2015 is the one of largest events (Mw 6-7) that has occurred along the western Kunlun Shan, northwestern edge of the Tibetan Plateau in recent time. It involved blind thrusting at a shallow depth beneath the range front, providing a rare chance to gain insights into the interaction between the Tarim Basin and the Tibetan Plateau. Here we present coseismic ground displacements acquired by high-resolution ALOS-2 SAR imagery and derived from GPS resurveys on several near-field geodetic markers after the event. We observed a maximum displacement exceeding 10 cm in the epicentral region. Analysis of the data based on a finite fault model indicates that coseismic slip occurred on a subsurface plane of 22 km × 8 km in size with a dip of about 27° to the north and a strike of 114°, representing partial break of one ramp fault buried in Paleozoic strata at 8-16 km depths beneath the foothill of the western Kunlun Shan. This blind rupture is characterized largely by a compact thrusting patch with a peak slip of 0.63 m, resulting in a stress drop of 2.3 MPa. The source model yields a geodetic moment of 5.05 × 1018 N · m, corresponding to Mw 6.4. The Pishan earthquake suggests a northward migration of deformation front of the Tibetan Plateau onto the Tarim Basin. Our finding highlights slip along ramp-décollement faults to build up the western Kunlun Shan as the Tarim slab is subducting beneath western Tibet.

  16. Numerical earthquake model of the 20 April 2015 southern Ryukyu subduction zone M6.4 event and its impact on seismic hazard assessment

    NASA Astrophysics Data System (ADS)

    Lee, Shiann-Jong

    2015-10-01

    The M6.4 earthquake that took place on the 20 April 2015 off the shore of eastern Taiwan was the largest event in the vicinity of Taiwan during 2015. The mainshock was located in the southern Ryukyu subduction zone, which is the interface between the Philippine Sea Plate and the Eurasian Plate. People in Taipei experienced strong ground shaking for more than 40 s, even though the epicenter was located more than 150 km away. In order to understand the origin of ground motions from this earthquake and how it caused such strong shaking in Taipei, a numerical earthquake model is analyzed, including models of source rupture and wave propagation. First, a joint source inversion was performed using teleseismic body wave and local ground motion data. Source inversion results show that a large slip occurred near the hypocenter, which rapidly released seismic energy in the first 2 s. Then, the rupture propagated toward the shallow fault plane. A large amount of seismic energy was released during this rupture stage that slipped for more than 8 s before the end of the rupture. The estimated stress drop is 2.48 MPa, which is consistent with values for subduction zone earthquakes. Forward simulation using this inverted source rupture model and a 3D seismic velocity model based on the spectral-element method was then performed. Results indicate that the strong ground motion in Taipei resulted from two factors: (1) the Taipei basin amplification effect and (2) the specific source radiation pattern. The results of this numerical earthquake model imply that future subduction zone events that occur in offshore eastern Taiwan are likely to cause relatively strong ground shaking in northern Taiwan, especially in the Taipei metropolitan area.

  17. The 2012 August 11 MW 6.5, 6.4 Ahar-Varzghan earthquakes, NW Iran: aftershock sequence analysis and evidence for activity migration

    NASA Astrophysics Data System (ADS)

    Rezapour, Mehdi

    2016-02-01

    The Ahar-Varzghan doublet earthquakes with magnitudes MW 6.5 and 6.4 occurred on 2012 August 11 in northwest Iran and were followed by many aftershocks. In this paper, we analyse ˜5 months of aftershocks of these events. The Ahar-Varzghan earthquakes occurred along complex faults and provide a new constraint on the earthquake hazard in northwest Iran. The general pattern of relocated aftershocks defines a complex seismic zone covering an area of approximately 25 × 10 km2. The Ahar-Varzghan aftershock sequence shows a secondary activity which started on November 7, approximately 3 months after the main shocks, with a significant increase in activity, regarding both number of events and their magnitude. This stage was characterized by a seismic zone that propagated to the west of the main shocks. The catalogue of aftershocks for the doublet earthquake has a magnitude completeness of Mc 2.0. A below-average b-value for the Ahar-Varzghan sequence indicates a structural heterogeneity in the fault plane and the compressive stress state of the region. Relocated aftershocks occupy a broad zone clustering east-west with near-vertical dip which we interpret as the fault plane of the first of the doublet main shocks (MW 6.5). The dominant depth range of the aftershocks is from 3 to about 20 km, and the focal depths decrease toward the western part of the fault. The aftershock activity has its highest concentration in the eastern and middle parts of the active fault, and tapers off toward the western part of the active fault segment, indicating mainly a unilateral rupture toward west.

  18. Crystallization and crystal properties of squid rhodopsin

    SciTech Connect

    Murakami, Midori; Kitahara, Rei; Gotoh, Toshiaki; Kouyama, Tsutomu

    2007-06-01

    Truncated rhodopsin from the retina of the squid Todarodes pacificus was extracted and crystallized by the sitting-drop vapour-diffusion method. Hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. Rhodopsin, a photoreceptor membrane protein in the retina, is a prototypical member of the G-protein-coupled receptor family. In this study, rhodopsin from the retina of the squid Todarodes pacificus was treated with V8 protease to remove the C-terminal extension. Truncated rhodopsin was selectively extracted from the microvillar membranes using alkyl glucoside in the presence of zinc ions and was then crystallized by the sitting-drop vapour-diffusion method. Of the various crystals obtained, hexagonal crystals grown in the presence of octylglucoside and ammonium sulfate diffracted to 2.8 Å resolution. The diffraction data suggested that the crystal belongs to space group P6{sub 2}, with unit-cell parameters a = b = 122.1, c = 158.6 Å. Preliminary crystallographic analysis, together with linear dichroism results, suggested that the rhodopsin dimers are packed in such a manner that their transmembrane helices are aligned nearly parallel to the c axis.

  19. Crystal structure of oligoacenes under high pressure

    SciTech Connect

    Oehzelt, M.; Aichholzer, A.; Resel, R.; Heimel, G.; Venuti, E.; Della Valle, R. G.

    2006-09-01

    We report crystal structures of anthracene, tetracene, and pentacene under pressure. Energy dispersive x-ray diffraction experiments up to 9 GPa were performed. Quasiharmonic lattice dynamics calculations are compared to the experimental results and show excellent agreement. The results are discussed with particular emphasis on the pressure dependence of the unit cell dimensions and the rearrangement of the molecules. The high pressure data also allow an analysis of the equation of state of these substances as a function of molecular length. We report the bulk modulus of tetracene and pentacene (B{sub 0}=9.0 and 9.6 GPa, respectively) and its pressure derivative (B{sub 0}{sup '}=7.9 and 6.4, respectively). We find that the unit-cell volume and bulk modulus at ambient pressure follow a linear relationship with the molecular length.

  20. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Atomic force microscopy uses laser technology to reveal a defect, a double-screw dislocation, on the surface of this crystal of canavalin, a major source of dietary protein for humans and domestic animals. When a crystal grows, attachment kinetics and transport kinetics are competing for control of the molecules. As a molecule gets close to the crystal surface, it has to attach properly for the crystal to be usable. NASA has funded investigators to look at those attachment kinetics from a theoretical standpoint and an experimental standpoint. Dr. Alex McPherson of the University of California, Irvine, is one of those investigators. He uses X-ray diffraction and atomic force microscopy in his laboratory to answer some of the many questions about how protein crystals grow. Atomic force microscopy provides a means of looking at how individual molecules are added to the surface of growing protein crystals. This helps McPherson understand the kinetics of protein crystal growth. McPherson asks, How fast do crystals grow? What are the forces involved? Investigators funded by NASA have clearly shown that such factors as the level of supersaturation and the rate of growth all affect the habit [characteristic arrangement of facets] of the crystal and the defects that occur in the crystal.

  1. Crystallization of Macromolecules

    PubMed Central

    Friedmann, David; Messick, Troy; Marmorstein, Ronen

    2014-01-01

    X-ray crystallography has evolved into a very powerful tool to determine the three-dimensional structure of macromolecules and macromolecular complexes. The major bottleneck in structure determination by X-ray crystallography is the preparation of suitable crystalline samples. This unit outlines steps for the crystallization of a macromolecule, starting with a purified, homogeneous sample. The first protocols describe preparation of the macromolecular sample (i.e., proteins, nucleic acids, and macromolecular complexes). The preparation and assessment of crystallization trials is then described, along with a protocol for confirming whether the crystals obtained are composed of macromolecule as opposed to a crystallization reagent . Next, the optimization of crystallization conditions is presented. Finally, protocols that facilitate the growth of larger crystals through seeding are described. PMID:22045560

  2. Automated macromolecular crystallization screening

    DOEpatents

    Segelke, Brent W.; Rupp, Bernhard; Krupka, Heike I.

    2005-03-01

    An automated macromolecular crystallization screening system wherein a multiplicity of reagent mixes are produced. A multiplicity of analysis plates is produced utilizing the reagent mixes combined with a sample. The analysis plates are incubated to promote growth of crystals. Images of the crystals are made. The images are analyzed with regard to suitability of the crystals for analysis by x-ray crystallography. A design of reagent mixes is produced based upon the expected suitability of the crystals for analysis by x-ray crystallography. A second multiplicity of mixes of the reagent components is produced utilizing the design and a second multiplicity of reagent mixes is used for a second round of automated macromolecular crystallization screening. In one embodiment the multiplicity of reagent mixes are produced by a random selection of reagent components.

  3. Single Crystal Membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Morrison, A.

    1974-01-01

    Single crystal a- and c-axis tubes and ribbons of sodium beta-alumina and sodium magnesium beta-alumina were grown from sodium oxide rich melts. Additional experiments grew ribbon crystals containing sodium magnesium beta, beta double prime, beta triple prime, and beta quadruple prime. A high pressure crystal growth chamber, sodium oxide rich melts, and iridium for all surfaces in contact with the melt were combined with the edge-defined, film-fed growth technique to grow the single crystal beta-alumina tubes and ribbons. The crystals were characterized using metallographic and X-ray diffraction techniques, and wet chemical analysis was used to determine the sodium, magnesium, and aluminum content of the grown crystals.

  4. Function photonic crystals

    NASA Astrophysics Data System (ADS)

    Wu, Xiang-Yao; Zhang, Bai-Jun; Yang, Jing-Hai; Liu, Xiao-Jing; Ba, Nuo; Wu, Yi-Heng; Wang, Qing-Cai

    2011-07-01

    In this paper, we present a new kind of function photonic crystals (PCs), whose refractive index is a function of space position. Conventional PCs structure grows from two materials, A and B, with different dielectric constants εA and εB. Based on Fermat principle, we give the motion equations of light in one-dimensional, two-dimensional and three-dimensional function photonic crystals. For one-dimensional function photonic crystals, we give the dispersion relation, band gap structure and transmissivity, and compare them with conventional photonic crystals, and we find the following: (1) For the vertical and non-vertical incidence light of function photonic crystals, there are band gap structures, and for only the vertical incidence light, the conventional PCs have band gap structures. (2) By choosing various refractive index distribution functions n( z), we can obtain more wider or more narrower band gap structure than conventional photonic crystals.

  5. Antarctic stratospheric ice crystals

    SciTech Connect

    Goodman, J. ); Toon, O.B.; Pueschel, R.F.; Snetsinger, K.G. ) Verma, S. )

    1989-11-30

    Ice crystals were replicated over the Palmer Peninsula at approximately 72{degree}S on six occasions during the 1987 Airborne Antarctic Ozone Experiment. The sampling altitude was between 12.5 and 18.5 km (45-65 thousand ft pressure altitude) with the temperature between 190 and 201 K. The atmosphere was subsaturated with respect to ice in all cases. The collected crystals were predominantly solid and hollow columns. The largest crystals were sampled at lower altitudes where the potential temperature was below 400 K. While the crystals were larger than anticipated, their low concentration results in a total surface area that is less than one tenth of the total aerosol surface area. The large ice crystals may play an important role in the observed stratospheric dehydration processes through sedimentation. Evidence of scavenging of submicron particles further suggests that the ice crystals may be effective in the removal of stratospheric chemicals.

  6. Relocation of the Mw 6.4 July 1, 2009 earthquake to the south of Crete and modeling of its associated small tsunami

    NASA Astrophysics Data System (ADS)

    Bocchini, Gian Maria; Papadopoulos, Gerassimos A.; Novikova, Tatiana; Karastathis, Vassilis K.; Mouzakiotis, Aggelos; Voulgaris, Nikolaos

    2016-04-01

    On July 1, 2009 (09:30 UTC) a Mw6.4 earthquake ruptured south of Crete Island triggering a small tsunami. Eyewitness reported the tsunami from Myrtos and Arvi Port, in the SE coast of Crete, and in Chrisi islet. In Arvi 4 or 5 wave arrivals were reported after a withdrawal of the sea of about 1 m. The sea disturbance lasted for about 1 h. The earthquake occurred as the result of the subduction of the oceanic African Plate beneath the continental Eurasian Plate along the Hellenic Subduction Zone (HSZ). South of Crete the Nubia-Aegean convergence rate (~3.5 cm/yr) is partially accommodated by low-angle (~20-25°) thrust faults at 20-40km depths and by steeper (>30°) reverse-faults at shallower depths. The area of interest has been struck by large magnitude earthquakes in historical times that in some cases triggered damaging tsunamis (e.g AD 1303). Routine earthquake locations performed by NOA do not provide good quality hypocenters for the area under investigation given the poor azimuthal coverage and the low density of the seismic stations. The 2009 earthquake, given its tsunamigenic nature, has been identified as a key event to study the central segment of the HSZ. We performed the relocation of the 2009 mainshock along with the seismicity of the area (ML>=3, period 2008-2015) using the NLLoc algorithm and testing several 1D velocity models available for the area and a 2D velocity model obtained from a published N-S seismic refraction profile across Crete. The hypocenters obtained from NLLoc have been subsequently relocated with HypoDD algorithm using catalog phase data. The results from the various relocation procedures showed a shallow hypocentral depth (12-17km) of the 2009 event and its likely intraplate nature. A set of hypocentral solutions were selected on the basis of minimum RMS and smaller errors with the aim to perform tsunami simulations with varying source parameters. Two different fault dips were used to discriminate between the intraplate (dip 32

  7. New constraints from seismology and geodesy on the Mw = 6.4 2008 Movri (Greece) earthquake: evidence for a growing strike-slip fault system

    NASA Astrophysics Data System (ADS)

    Serpetsidaki, A.; Elias, P.; Ilieva, M.; Bernard, P.; Briole, P.; Deschamps, A.; Lambotte, S.; Lyon-Caen, H.; Sokos, E.; Tselentis, G.-A.

    2014-09-01

    The 2008 Mw = 6.4 Movri earthquake ruptured a NNE right lateral strike-slip fault about 30 km south of the city of Patras. Although some strike-slip activity on minor faults was known, there was no tectonic evidence of large scale NS striking fault and such a large event was not anticipated. Following the event, a network of six stations was installed for 4 months in the epicentral area in order to monitor aftershocks and in particular the northern part of the rupture area closest to the city of Patras. We combine these new aftershock observations with GPS measurements of an already existing geodetic network in the area performed just after the earthquake, as well as with SAR interferograms, together with already published source studies, in order to refine already proposed models of this event. The combined data set allows defining much more accurately the lateral and vertical limits of the rupture. Its length inferred from geodesy is ˜15 km and its modelled upper edge ˜17 km. The seismic moment then constrains the lower edge to coincide, within a few kilometres, with the Moho interface. The absence of seismicity in the shallow crust above the co-seismic fault is interpreted as a result of the decoupling effect of possible presence of salt layers above the rupture area, near 14 to 16 km in depth, which favours our interpretation of an immature strike-slip fault system, compatible with the absence of surface ruptures. The immature character of this large crustal fault is further suggested by the high variability of focal mechanisms and of fault geometries deduced from aftershock clusters, in the strike direction. Its geometry and mechanism is consistent with the crustal shear, striking NNE, revealed by GPS in this region. This shear and faulting activity might be generated by the differential slip rate on the subduction interface, 50 km to the south, leading to a north-northeastward propagating strike-slip fault zone. The wide extension of the aftershock

  8. Mercury iodide crystal growth

    NASA Technical Reports Server (NTRS)

    Cadoret, R.

    1982-01-01

    The purpose of the Mercury Iodide Crystal Growth (MICG) experiment is the growth of near-perfect single crystals of mercury Iodide (HgI2) in a microgravity environment which will decrease the convection effects on crystal growth. Evaporation and condensation are the only transformations involved in this experiment. To accomplish these objectives, a two-zone furnace will be used in which two sensors collect the temperature data (one in each zone).

  9. Phononic crystal devices

    DOEpatents

    El-Kady, Ihab F.; Olsson, Roy H.

    2012-01-10

    Phononic crystals that have the ability to modify and control the thermal black body phonon distribution and the phonon component of heat transport in a solid. In particular, the thermal conductivity and heat capacity can be modified by altering the phonon density of states in a phononic crystal. The present invention is directed to phononic crystal devices and materials such as radio frequency (RF) tags powered from ambient heat, dielectrics with extremely low thermal conductivity, thermoelectric materials with a higher ratio of electrical-to-thermal conductivity, materials with phononically engineered heat capacity, phononic crystal waveguides that enable accelerated cooling, and a variety of low temperature application devices.

  10. Crystal Formation in Inflammation.

    PubMed

    Franklin, Bernardo S; Mangan, Matthew S; Latz, Eicke

    2016-05-20

    The formation and accumulation of crystalline material in tissues is a hallmark of many metabolic and inflammatory conditions. The discovery that the phase transition of physiologically soluble substances to their crystalline forms can be detected by the immune system and activate innate immune pathways has revolutionized our understanding of how crystals cause inflammation. It is now appreciated that crystals are part of the pathogenesis of numerous diseases, including gout, silicosis, asbestosis, and atherosclerosis. In this review we discuss current knowledge of the complex mechanisms of crystal formation in diseased tissues and their interplay with the nutrients, metabolites, and immune cells that account for crystal-induced inflammation. PMID:26772211

  11. Liquid Crystal Optofluidics

    SciTech Connect

    Vasdekis, Andreas E.; Cuennet, J. G.; Psaltis, D.

    2012-10-11

    By employing anisotropic fluids and namely liquid crystals, fluid flow becomes an additional degree of freedom in designing optofluidic devices. In this paper, we demonstrate optofluidic liquid crystal devices based on the direct flow of nematic liquid crystals in microfluidic channels. Contrary to previous reports, in the present embodiment we employ the effective phase delay acquired by light travelling through flowing liquid crystal, without analysing the polarisation state of the transmitted light. With this method, we demonstrate the variation in the diffraction pattern of an array of microfluidic channels acting as a grating. We also discuss our recent activities in integrating mechanical oscillators for on-chip peristaltic pumping.

  12. Tunable plasmonic crystal

    DOEpatents

    Dyer, Gregory Conrad; Shaner, Eric A.; Reno, John L.; Aizin, Gregory

    2015-08-11

    A tunable plasmonic crystal comprises several periods in a two-dimensional electron or hole gas plasmonic medium that is both extremely subwavelength (.about..lamda./100) and tunable through the application of voltages to metal electrodes. Tuning of the plasmonic crystal band edges can be realized in materials such as semiconductors and graphene to actively control the plasmonic crystal dispersion in the terahertz and infrared spectral regions. The tunable plasmonic crystal provides a useful degree of freedom for applications in slow light devices, voltage-tunable waveguides, filters, ultra-sensitive direct and heterodyne THz detectors, and THz oscillators.

  13. Heroin crystal nephropathy

    PubMed Central

    Bautista, Josef Edrik Keith; Merhi, Basma; Gregory, Oliver; Hu, Susie; Henriksen, Kammi; Gohh, Reginald

    2015-01-01

    In this paper we present an interesting case of acute kidney injury and severe metabolic alkalosis in a patient with a history of heavy heroin abuse. Urine microscopy showed numerous broomstick-like crystals. These crystals are also identified in light and electron microscopy. We hypothesize that heroin crystalizes in an alkaline pH, resulting in tubular obstruction and acute kidney injury. Management is mainly supportive as there is no known specific therapy for this condition. This paper highlights the utility of urine microscopy in diagnosing the etiology of acute kidney injury and proposes a novel disease called heroin crystal nephropathy. PMID:26034599

  14. Automation in biological crystallization

    PubMed Central

    Shaw Stewart, Patrick; Mueller-Dieckmann, Jochen

    2014-01-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given. PMID:24915074

  15. Advanced Protein Crystallization Facility (APCF)

    NASA Technical Reports Server (NTRS)

    1998-01-01

    This section of the Life and Microgravity Spacelab (LMS) publication contains articles entitled: (1) Crystallization of EGFR-EGF; (2) Crystallization of Apocrustacyanin C1; (3) Crystallization and X-ray Analysis of 5S rRNA and the 5S rRNA Domain A; (4) Growth of Lysozyme Crystals at Low Nucleation Density; (5) Comparative Analysis of Aspartyl tRNA-synthetase and Thaumatin Crystals Grown on Earth and In Microgravity; (6) Lysosome Crystal Growth in the Advanced Protein Crystallization Facility Monitored via Mach-Zehnder Interferometry and CCD Video; (7) Analysis of Thaumatin Crystals Grown on Earth and in Microgravity; (8) Crystallization of the Nucleosome Core Particle; (9) Crystallization of Photosystem I; (10) Mechanism of Membrane Protein Crystal Growth: Bacteriorhodopsin-mixed Micelle Packing at the Consolution Boundary, Stabilized in Microgravity; (11) Crystallization in a Microgravity Environment of CcdB, a Protein Involved in the Control of Cell Death; and (12) Crystallization of Sulfolobus Solfataricus

  16. Removal of UV light-induced pyrimidine-pyrimidone(6-4) products from Escherichia coli DNA requires the uvrA, uvrB, and urvC gene products.

    PubMed Central

    Franklin, W A; Haseltine, W A

    1984-01-01

    Ultraviolet light induces the formation of cyclobutane pyrimidine dimers and pyrimidine- pyrimidone (6-4) photoproducts in cellular DNA. In Escherichia coli, the uvrA, uvrB, and uvrC genes are necessary for excision of cyclobutane dimers. To determine whether the uvrABC gene products are required for (6-4) product removal from DNA, a sensitive HPLC assay was developed that allows the separation and quantitation of both types of photoproducts. Both the T T cyclobutane dimer and the T-C(6-4) product were completely removed from the DNA after 2 hr of repair in a wild-type strain. Both products were also removed in the wild-type strain in the presence of chloramphenicol, an inhibitor of protein synthesis. No decrease in the amount of either T T cyclobutane dimer or of T-C(6-4) products was observed in strains that were deficient in any one of the three uvr gene products under similar conditions. We conclude the uvrABC enzyme complex is required for excision of (6-4) photoproducts from E. coli DNA. PMID:6374666

  17. Channeling through Bent Crystals

    SciTech Connect

    Mack, Stephanie; /Ottawa U. /SLAC

    2012-09-07

    Bent crystals have demonstrated potential for use in beam collimation. A process called channeling is when accelerated particle beams are trapped by the nuclear potentials in the atomic planes within a crystal lattice. If the crystal is bent then the particles can follow the bending angle of the crystal. There are several different effects that are observed when particles travel through a bent crystal including dechanneling, volume capture, volume reflection and channeling. With a crystal placed at the edge of a particle beam, part of the fringe of the beam can be deflected away towards a detector or beam dump, thus helping collimate the beam. There is currently FORTRAN code by Igor Yazynin that has been used to model the passage of particles through a bent crystal. Using this code, the effects mentioned were explored for beam energy that would be seen at the Facility for Advanced Accelerator Experimental Tests (FACET) at a range of crystal orientations with respect to the incoming beam. After propagating 5 meters in vacuum space past the crystal the channeled particles were observed to separate from most of the beam with some noise due to dechanneled particles. Progressively smaller bending radii, with corresponding shorter crystal lengths, were compared and it was seen that multiple scattering decreases with the length of the crystal therefore allowing for cleaner detection of the channeled particles. The input beam was then modified and only a portion of the beam sent through the crystal. With the majority of the beam not affected by the crystal, most particles were not deflected and after propagation the channeled particles were seen to be deflected approximately 5mm. After a portion of the beam travels through the crystal, the entire beam was then sent through a quadrupole magnet, which increased the separation of the channeled particles from the remainder of the beam to a distance of around 20mm. A different code, which was developed at SLAC, was used to

  18. Protein crystal growth

    NASA Technical Reports Server (NTRS)

    Bugg, Charles E.

    1993-01-01

    Proteins account for 50% or more of the dry weight of most living systems and play a crucial role in virtually all biological processes. Since the specific functions of essentially all biological molecules are determined by their three-dimensional structures, it is obvious that a detailed understanding of the structural makeup of a protein is essential to any systematic research pertaining to it. At the present time, protein crystallography has no substitute, it is the only technique available for elucidating the atomic arrangements within complicated biological molecules. Most macromolecules are extremely difficult to crystallize, and many otherwise exciting and promising projects have terminated at the crystal growth stage. There is a pressing need to better understand protein crystal growth, and to develop new techniques that can be used to enhance the size and quality of protein crystals. There are several aspects of microgravity that might be exploited to enhance protein crystal growth. The major factor that might be expected to alter crystal growth processes in space is the elimination of density-driven convective flow. Another factor that can be readily controlled in the absence of gravity is the sedimentation of growing crystal in a gravitational field. Another potential advantage of microgravity for protein crystal growth is the option of doing containerless crystal growth. One can readily understand why the microgravity environment established by Earth-orbiting vehicles is perceived to offer unique opportunities for the protein crystallographer. The near term objectives of the Protein Crystal Growth in a Microgravity Environment (PCG/ME) project is to continue to improve the techniques, procedures, and hardware systems used to grow protein crystals in Earth orbit.

  19. Fluorescent Applications to Crystallization

    NASA Technical Reports Server (NTRS)

    Pusey, Marc L.; Forsythe, Elizabeth; Achari, Aniruddha

    2006-01-01

    By covalently modifying a subpopulation, less than or equal to 1%, of a macromolecule with a fluorescent probe, the labeled material will add to a growing crystal as a microheterogeneous growth unit. Labeling procedures can be readily incorporated into the final stages of purification, and tests with model proteins have shown that labeling u to 5 percent of the protein molecules does not affect the X-ray data quality obtained . The presence of the trace fluorescent label gives a number of advantages. Since the label is covalently attached to the protein molecules, it "tracks" the protein s response to the crystallization conditions. The covalently attached probe will concentrate in the crystal relative to the solution, and under fluorescent illumination crystals show up as bright objects against a darker background. Non-protein structures, such as salt crystals, do not show up under fluorescent illumination. Crystals have the highest protein concentration and are readily observed against less bright precipitated phases, which under white light illumination may obscure the crystals. Automated image analysis to find crystals should be greatly facilitated, without having to first define crystallization drop boundaries as the protein or protein structures is all that shows up. Fluorescence intensity is a faster search parameter, whether visually or by automated methods, than looking for crystalline features. Preliminary tests, using model proteins, indicates that we can use high fluorescence intensity regions, in the absence of clear crystalline features or "hits", as a means for determining potential lead conditions. A working hypothesis is that more rapid amorphous precipitation kinetics may overwhelm and trap more slowly formed ordered assemblies, which subsequently show up as regions of brighter fluorescence intensity. Experiments are now being carried out to test this approach using a wider range, of proteins. The trace fluorescently labeled crystals will also

  20. Study of Geomagnetic Anomalies Related to Earthquakes at Pisco Peru 2007 (M=8.0) and at Taiwan 2009 (M= 6.4) (Invited)

    NASA Astrophysics Data System (ADS)

    Yumoto, K.; Takla, E.; Ishitsuka, J.; Rosales, D.; Dutra, S. L.; Liu, J. G.; Kakinami, Y.; Uozumi, T.; Abe, S.

    2010-12-01

    The Space Environment Research Center (SERC), Kyushu University deployed the MAGnetic Data Acqusition System (MAGDAS) at 53 stations along the 210- and 96-degree magnetic meridians (MM) and the magnetic Dip equator, and three FM-CW radars along the 210-degree MM during the International Heliophysical Year (IHY) period of 2005-2009 (see http://magdas.serc.kyushu-u.ac.jp/ and http://magdas2.serc.kyushu-u.ac.jp/). By analyzing these new MAGDAS data, we can perform a real-time monitoring for understanding the plasma and electromagnetic environment changes in geospace and lithosphere. In the present paper, we will introduce geomagnetic anomalies associated with larger earthquakes (EQs), observed at the MAGDAS stations. The first event is the Pisco earthquake (M=8.0) on August 15, 2007, which was the largest shallow earthquake and affected the coastal area south of Lima for 250 years. This occurred at the boundary between the Nazca and South American tectonic plates. Geomagnetic data from the MAGDAS Ancon (ANC; about 180 km from the epicenter), the INTERMAGNET Huancayo (HUA;about 190 km from the epicenter) and the MAGDAS Eusebio (EUS; about 39°east from ANC) stations were analyzed to clarify if there is a relation between the geomagnetic variations and the tectonic activities at Peru during 2007. Our results indicate both long- (several months) and short-term (daily) anomalous geomagnetic variations (H and Z components) in relation with these seismic activities. In addition, there were anomalous signals of Pc 3 polarization (Z/H) a few months before the onset of seismic activities. The second event is the Taiwan earthquake of M=6.4 on the Richter scale, which occurred at depth ≈ 45 km, on 19th of December 2009. The epicenter was located about 20 Km away from our MAGDAS Hualien (HLN) station. The MAGDAS Amami-ohshima (AMA) station in Japan was used as a remote reference station. The geomagnetic components (H, D and Z) at the HLN station showed baseline fluctuations

  1. Walkout in Crystal City

    ERIC Educational Resources Information Center

    Barrios, Greg

    2009-01-01

    When students take action, they create change that extends far beyond the classroom. In this article, the author, who was a former teacher from Crystal City, Texas, remembers the student walkout that helped launch the Latino civil rights movement 40 years ago. The Crystal City student walkout remains a high point in the history of student activism…

  2. Crystals for stellar spectrometers

    NASA Technical Reports Server (NTRS)

    Alexandropoulos, N. G.; Cohen, G. G.

    1974-01-01

    Crystal evaluation as it applies to instrumentation employed in X-ray astronomy is reviewed, and some solutions are offered to problems that are commonly encountered. A general approach for selecting the most appropriate crystals for a given problem is also suggested. The energy dependence of the diffraction properties of (002) PET, (111) Ge, (101) ADP, (101) KAP, and (001) RAP are reported.

  3. Demonstration of Crystal Structure.

    ERIC Educational Resources Information Center

    Neville, Joseph P.

    1985-01-01

    Describes an experiment where equal parts of copper and aluminum are heated then cooled to show extremely large crystals. Suggestions are given for changing the orientation of crystals by varying cooling rates. Students are more receptive to concepts of microstructure after seeing this experiment. (DH)

  4. Crystal growth and crystallography

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    1998-01-01

    Selected topics that may be of interest for both crystal-structure and crystal-growth communities are overviewed. The growth of protein crystals, along with that of some other compounds, is one of the topics, and recent insights into related phenomena are considered as examples of applications of general principles. The relationship between crystal growth shape and structure is reviewed and an attempt to introduce semiquantitative characterization of binding for proteins is made. The concept of kinks for complex structures is briefly discussed. Even at sufficiently low supersaturations, the fluctuation of steps may not be sufficient to implement the Gibbs-Thomson law if the kink density is low enough. Subsurface ordering of liquids and growth of rough interfaces from melts is discussed. Crystals growing in microgravity from solution should be more perfect if they preferentially trap stress-inducing impurities, thus creating an impurity-depleted zone around themselves. Evidently, such a zone is developed only around the crystals growing in the absence of convection. Under terrestrial conditions, the self-purified depleted zone is destroyed by convection, the crystal traps more impurity and grows stressed. The stress relief causes mosaicity. In systems containing stress-inducing but poorly trapped impurities, the crystals grown in the absence of convection should be worse than those of their terrestrial counterparts.

  5. Crystal Shape Bingo.

    ERIC Educational Resources Information Center

    Rule, Audrey C.

    This document describes a game that provides students with practice in recognizing three dimensional crystal shapes and planar geometric shapes of crystal faces. It contains information on the objective of the game, game preparation, and rules for playing. Play cards are included (four to a page). (ASK)

  6. Tunable liquid crystal lasers

    NASA Astrophysics Data System (ADS)

    Woltman, Scott J.

    Liquid crystal lasers are dye-doped distributed feedback lasing systems. Fabricated by coupling the periodic structure of a liquid crystal medium with a fluorescent dye, the emission from these systems is tunable by controlling the liquid crystal system---be it through electric or thermal field effects, photochemical reactions, mechanical deformations, etc. The laser action arises from an extended interaction time between the radiation field, the laser emission, and the matter field, the periodic liquid crystal medium, at the edge of the photonic band gap. In this thesis, several tunable liquid crystal laser systems are investigated: cholesteric liquid crystals, holographic-polymer dispersed liquid crystals and liquid crystal polarization gratings. The primary focus has been to fabricate systems that are tunable through electrical means, as applications requiring mechanical or thermal changes are often difficult to control. Cholesteric liquid crystal lasers are helical Bragg reflectors, with a band gap for circularly polarized light of equivalent handedness to their helix. These materials were doped with a laser dye and laser emission was observed. The use of an in-plane electric field tends to unwind the helical pitch of the film and in doing so tunable emission was demonstrated for ˜15 nm. Holographic-polymer dispersed liquid crystals (H-PDLCs) are grating structures consisting of alternating layers of polymer and liquid crystal, with different indices of refraction. The application of an electric field index matches these layers and switches off the grating. Thus, laser emission can be switched on and off through the use of an electric field. Spatially tunable H-PDLC lasers were fabricated by creating chirped gratings, formed by divergent beams. The emission was shown to tune ˜5 nm as the pump beam was translated across a 1 inch film. Liquid crystal polarization gratings use photo-patterned alignment layers, through a polarization holography exposure, to

  7. Polymer Crystallization under Confinement

    NASA Astrophysics Data System (ADS)

    Floudas, George

    Recent efforts indicated that polymer crystallization under confinement can be substantially different from the bulk. This can have important technological applications for the design of polymeric nanofibers with tunable mechanical strength, processability and optical clarity. However, the question of how, why and when polymers crystallize under confinement is not fully answered. Important studies of polymer crystallization confined to droplets and within the spherical nanodomains of block copolymers emphasized the interplay between heterogeneous and homogeneous nucleation. Herein we report on recent studies1-5 of polymer crystallization under hard confinement provided by model self-ordered AAO nanopores. Important open questions here are on the type of nucleation (homogeneous vs. heterogeneous), the size of critical nucleus, the crystal orientation and the possibility to control the overall crystallinity. Providing answers to these questions is of technological relevance for the understanding of nanocomposites containing semicrystalline polymers. In collaboration with Y. Suzuki, H. Duran, M. Steinhart, H.-J. Butt.

  8. Synthesis and characterization of tetraacetonitrilolithiumhexafluorophosphate crystal

    NASA Astrophysics Data System (ADS)

    Li, Xuecong; Li, Xuanli; Zhang, Zhiye; Yang, Lin; Zhong, Benhe; Wang, Xinlong

    2015-08-01

    Tetraacetonitrilolithiumhexafluorophosphate (Li(CH3CN)4PF6) crystal is an important intermediate in the preparation of high purity lithium hexafluorophosphate electrolyte via a simple transformation method. In this study, the crystal parameters were determined by X-ray powder diffraction analysis, which showed that it belongs to the triclinic system with space group P1. FTIR spectral studies identified the characteristic absorption bands of Ctbnd N and PF6- in the synthesized complex. Chemical analysis, gas chromatography, and ICP-AES results showed that the elementary ratio of Li:P:F: CH3CN in the complex is approximately: 1:1:6:4. Furthermore, the geometric optimization structure of Li(CH3CN)4PF6 was obtained using GAUSSIAN 09 program on a B3LYP/6-31+G(d, p) level. In this structure, two acetonitrile ligands bind strongly with the Li+ ion, whereas the other two are weakly-coordinated with lithium. The results of solid-state 13C-, 31P-, and 19F-NMR spectra confirmed that this configuration is reasonable.

  9. Dispersion in photonic crystals

    NASA Astrophysics Data System (ADS)

    Witzens, Jeremy

    2005-11-01

    Investigations on the dispersive properties of photonic crystals, modified scattering in ring-resonators, monolithic integration of vertical-cavity surface-emitting lasers and advanced data processing techniques for the finite-difference time-domain method are presented. Photonic crystals are periodic mesoscopic arrays of scatterers that modify the propagation properties of electromagnetic waves in a similar way as "natural" crystals modify the properties of electrons in solid-state physics. In this thesis photonic crystals are implemented as planar photonic crystals, i.e., optically thin semiconductor films with periodic arrays of holes etched into them, with a hole-to-hole spacing of the order of the wavelength of light in the dielectric media. Photonic crystals can feature forbidden frequency ranges (the band-gaps) in which light cannot propagate. Even though most work on photonic crystals has focused on these band-gaps for application such as confinement and guiding of light, this thesis focuses on the allowed frequency regions (the photonic bands) and investigates how the propagation of light is modified by the crystal lattice. In particular the guiding of light in bulk photonic crystals in the absence of lattice defects (the self-collimation effect) and the angular steering of light in photonic crystals (the superprism effect) are investigated. The latter is used to design a planar lightwave circuit for frequency domain demultiplexion. Difficulties such as efficient insertion of light into the crystal are resolved and previously predicted limitations on the resolution are circumvented. The demultiplexer is also fabricated and characterized. Monolithic integration of vertical-cavity surface-emitting lasers by means of resonantly enhanced grating couplers is investigated. The grating coupler is designed to bend light through a ninety-degree angle and is characterized with the finite-difference time-domain method. The vertical-cavity surface-emitting lasers are

  10. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Smith, Craig D.; Smith, H. Wilson; Vijay-Kumar, Senadhi; Senadhi, Shobha E.; Ealick, Steven E.; Carter, Daniel C.; Snyder, Robert S.

    1989-01-01

    The crystals of most proteins or other biological macromolecules are poorly ordered and diffract to lower resolutions than those observed for most crystals of simple organic and inorganic compounds. Crystallization in the microgravity environment of space may improve crystal quality by eliminating convection effects near growing crystal surfaces. A series of 11 different protein crystal growth experiments was performed on U.S. Space Shuttle flight STS-26 in September 1988. The microgravity-grown crystals of gamma-interferon D1, porcine elastase, and isocitrate lyase are larger, display more uniform morphologies, and yield diffraction data to significantly higher resolutions than the best crystals of these proteins grown on earth.

  11. Quartz crystal growth

    DOEpatents

    Baughman, Richard J.

    1992-01-01

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

  12. Biomolecular membrane protein crystallization

    NASA Astrophysics Data System (ADS)

    Reddy Bolla, Jani; Su, Chih-Chia; Yu, Edward W.

    2012-07-01

    Integral membrane proteins comprise approximately 30% of the sequenced genomes, and there is an immediate need for their high-resolution structural information. Currently, the most reliable approach to obtain these structures is X-ray crystallography. However, obtaining crystals of membrane proteins that diffract to high resolution appears to be quite challenging, and remains a major obstacle in structural determination. This brief review summarizes a variety of methodologies for use in crystallizing these membrane proteins. Hopefully, by introducing the available methods, techniques, and providing a general understanding of membrane proteins, a rational decision can be made about now to crystallize these complex materials.

  13. DD fusion in crystals

    SciTech Connect

    Tsyganov, E. N.

    2010-12-15

    The article discusses the mechanism of DD {sup {yields} 4}He fusion and so-called nonradiative thermalization of the reaction in crystals. The dynamics of this process is considered. The assumption that the decay time of the compound nucleus depends on its excitation energy makes experiments in crystals compatible with the acceleration data.We consider the processes in the crystals that increase the intensity ofDD fusion in comparison to the amorphous media, and the yield of the reaction is estimated.

  14. Raman scattering in crystals

    SciTech Connect

    Edwards, D.F.

    1988-09-30

    A tutorial presentation is given of Raman scattering in crystals. The physical concepts are emphasized rather than the detailed mathematical formalism. Starting with an introduction to the concepts of phonons and conservation laws, the effects of photon-phonon interactions are presented. This interaction concept is shown for a simple cubic crystal and is extended to a uniaxial crystal. The correlation table method is used for determining the number and symmetry of the Raman active modes. Finally, examples are given to illustrate the relative ease of using this group theoretical method and the predictions are compared with measured Raman spectra. 37 refs., 17 figs., 6 tabs.

  15. Analysis of Crystallization Kinetics

    NASA Technical Reports Server (NTRS)

    Kelton, Kenneth F.

    1997-01-01

    A realistic computer model for polymorphic crystallization (i.e., initial and final phases with identical compositions), which includes time-dependent nucleation and cluster-size-dependent growth rates, is developed and tested by fits to experimental data. Model calculations are used to assess the validity of two of the more common approaches for the analysis of crystallization data. The effects of particle size on transformation kinetics, important for the crystallization of many systems of limited dimension including thin films, fine powders, and nanoparticles, are examined.

  16. Superelastic organic crystals.

    PubMed

    Takamizawa, Satoshi; Miyamoto, Yasuhiro

    2014-07-01

    Superelastic materials (crystal-to-crystal transformation pseudo elasticity) that consist of organic components have not been observed since superelasticity was discovered in a Au-Cd alloy in 1932. Superelastic materials have been exclusively developed in metallic or inorganic covalent solids, as represented by Ti-Ni alloys. Organosuperelasticity is now revealed in a pure organic crystal of terephthalamide, which precisely produces a large motion with high repetition and high energy storage efficiency. This process is driven by a small shear stress owing to the low density of strain energy related to the low lattice energy. PMID:24800764

  17. The effect of the temperature on the bandgaps based on the chiral liquid crystal polymer

    NASA Astrophysics Data System (ADS)

    Wang, Jianhua; Shi, Shuhui; Wang, Bainian

    2015-10-01

    Chiral side-chain liquid crystal polymer is synthesized from polysiloxanes and liqud crystal monomer 4-(Undecenoic-1- yloxybenzoyloxy)-4'-benzonitrile and 6-[4-(4- Undecenoic -1-yloxybenzoyloxy)- hydroxyphenyl] cholesteryl hexanedioate. The optical and thermal property of the monomer and polymer are shown by POM and DSC. As the unique optical property of the polymer, the bandgaps are shifted for heating temperature. The reflection bandgaps is shifted from 546nm to 429nm with temperature increase. As a photonic material, the chiral polymer which sensitive responses under the outfield is widely studied for reflection display, smart switchable reflective windows and defect model CLC laser etc.

  18. The Crystal Hotel: A Microfluidic Approach to Biomimetic Crystallization.

    PubMed

    Gong, Xiuqing; Wang, Yun-Wei; Ihli, Johannes; Kim, Yi-Yeoun; Li, Shunbo; Walshaw, Richard; Chen, Li; Meldrum, Fiona C

    2015-12-01

    A "crystal hotel" microfluidic device that allows crystal growth in confined volumes to be studied in situ is used to produce large calcite single crystals with predefined crystallographic orientation, microstructure, and shape by control of the detailed physical environment, flow, and surface chemistry. This general approach can be extended to form technologically important, nanopatterned single crystals. PMID:26479157

  19. Shaping Crystal-Crystal Phase Transitions

    NASA Astrophysics Data System (ADS)

    Du, Xiyu; van Anders, Greg; Dshemuchadse, Julia; Glotzer, Sharon

    Previous computational and experimental studies have shown self-assembled structure depends strongly on building block shape. New synthesis techniques have led to building blocks with reconfigurable shape and it has been demonstrated that building block reconfiguration can induce bulk structural reconfiguration. However, we do not understand systematically how this transition happens as a function of building block shape. Using a recently developed ``digital alchemy'' framework, we study the thermodynamics of shape-driven crystal-crystal transitions. We find examples of shape-driven bulk reconfiguration that are accompanied by first-order phase transitions, and bulk reconfiguration that occurs without any thermodynamic phase transition. Our results suggest that for well-chosen shapes and structures, there exist facile means of bulk reconfiguration, and that shape-driven bulk reconfiguration provides a viable mechanism for developing functional materials.

  20. Diffusion in Coulomb crystals.

    PubMed

    Hughto, J; Schneider, A S; Horowitz, C J; Berry, D K

    2011-07-01

    Diffusion in Coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants D from molecular dynamics simulations. We find that D for Coulomb crystals with relatively soft-core 1/r interactions may be larger than D for Lennard-Jones or other solids with harder-core interactions. Diffusion, for simulations of nearly perfect body-centered-cubic lattices, involves the exchange of ions in ringlike configurations. Here ions "hop" in unison without the formation of long lived vacancies. Diffusion, for imperfect crystals, involves the motion of defects. Finally, we find that diffusion, for an amorphous system rapidly quenched from Coulomb parameter Γ=175 to Coulomb parameters up to Γ=1750, is fast enough that the system starts to crystalize during long simulation runs. These results strongly suggest that Coulomb solids in cold white dwarf stars, and the crust of neutron stars, will be crystalline and not amorphous. PMID:21867316

  1. Crystallization of Silicon Ribbons

    NASA Technical Reports Server (NTRS)

    Leipold, M. H.

    1984-01-01

    Purity constraints for reasonable solar-cell efficiency require that silicon-ribbon growth for photovoltaics occur in a regime in which constitutional supercooling or other compositional effects on the crystallization front are not important. A major consideration in the fundamentals of crystallization is the removal of the latent heat of fusion. The direction of removal, compared with the growth direction, has a major influence on the crystallization rate and the development of localized stresses. The detailed shape of the crystallization front appears to have two forms: that required for dendritic-web growth, and that occurring in all others. After the removal of the latent heat of fusion, the thermal-mechanical behavior of all ribbons appears similar within the constraints of the exothermal gradient. The technological constraints in achieving the required thermal and mechanical conditions vary widely among the growth processes.

  2. Crystal Field Handbook

    NASA Astrophysics Data System (ADS)

    Newman, D. J.; Ng, Betty

    2007-09-01

    List of contributors; Preface; Introduction; 1. Crystal field splitting mechanisms D. J. Newman and Betty Ng; 2. Empirical crystal fields D. J. Newman and Betty Ng; 3. Fitting crystal field parameters D. J. Newman and Betty Ng; 4. Lanthanide and actinide optical spectra G. K. Liu; 5. Superposition model D. J. Newman and Betty Ng; 6. Effects of electron correlation on crystal field splitting M. F. Reid and D. J. Newman; 7. Ground state splittings in S-state ions D. J. Newman and Betty Ng; 8. Invariants and moments Y. Y. Yeung; 9. Semiclassical model K. S. Chan; 10. Transition intensities M. F. Reid; Appendix 1. Point symmetry D. J. Newman and Betty Ng; Appendix 2. QBASIC programs D. J. Newman and Betty Ng; Appendix 3. Accessible program packages Y. Y. Yeung, M. F. Reid and D. J. Newman; Appendix 4. Computer package CST Cz. Rudowicz; Bibliography; Index.

  3. Crystal-Clear Technology.

    ERIC Educational Resources Information Center

    Ondris-Crawford, Renate J.; And Others

    1993-01-01

    Provides diagrams to aid in discussing polymer dispersed liquid crystal (PDLC) technology. Equipped with a knowledge of PDLC, teachers can provide students with insight on how the gap between basic science and technology is bridged. (ZWH)

  4. Ice crystal terminal velocities.

    NASA Technical Reports Server (NTRS)

    Heymsfield, A.

    1972-01-01

    Terminal velocities of different ice crystal forms were calculated, using the most recent ice crystal drag coefficients, aspect ratios, and densities. The equations derived were primarily for use in calculating precipitation rates by sampling particles with an aircraft in cirrus clouds, and determining particle size in cirrus clouds by Doppler radar. However, the equations are sufficiently general for determining particle terminal velocity at any altitude, and almost any crystal type. Two sets of equations were derived. The 'general' equations provide a good estimate of terminal velocities at any altitude. The 'specific' equations are a set of equations for ice crystal terminal velocities at 1000 mb. The calculations are in good agreement with terminal velocity measurements. The results from the present study were also compared to prior calculations by others and seem to give more reasonable results, particularly at higher altitudes.

  5. Excitability in liquid crystal.

    PubMed

    Coullet, P.; Frisch, T.; Gilli, J. M.; Rica, S.

    1994-09-01

    The spiral waves observed in a liquid crystal submitted to a vertical electric field and a horizontal rotating magnetic field are explained in the framework of a purely mechanical description of the liquid crystal. The originality of the experiment described in this paper is the presence of the vertical electric field which allows us to analyze the spiral waves in the framework of a weakly nonlinear theory. PMID:12780124

  6. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell, Post-Doctoral Fellow the National Research Council (NRC) uses a reciprocal space mapping diffractometer for macromolecular crystal quality studies. The diffractometer is used in mapping the structure of macromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystallized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  7. Characterizing protein crystal nucleation

    NASA Astrophysics Data System (ADS)

    Akella, Sathish V.

    We developed an experimental microfluidic based technique to measure the nucleation rates and successfully applied the technique to measure nucleation rates of lysozyme crystals. The technique involves counting the number of samples which do not have crystals as a function of time. Under the assumption that nucleation is a Poisson process, the fraction of samples with no crystals decays exponentially with the decay constant proportional to nucleation rate and volume of the sample. Since nucleation is a random and rare event, one needs to perform measurements on large number of samples to obtain good statistics. Microfluidics offers the solution of producing large number of samples at minimal material consumption. Hence, we developed a microfluidic method and measured nucleation rates of lysozyme crystals in supersaturated protein drops, each with volume of ˜ 1 nL. Classical Nucleation Theory (CNT) describes the kinetics of nucleation and predicts the functional form of nucleation rate in terms of the thermodynamic quantities involved, such as supersaturation, temperature, etc. We analyzed the measured nucleation rates in the context of CNT and obtained the activation energy and the kinetic pre-factor characterizing the nucleation process. One conclusion is that heterogeneous nucleation dominates crystallization. We report preliminary studies on selective enhancement of nucleation in one of the crystal polymorprhs of lysozyme (spherulite) using amorphous mesoporous bioactive gel-glass te{naomi06, naomi08}, CaO.P 2O5.SiO2 (known as bio-glass) with 2-10 nm pore-size diameter distribution. The pores act as heterogeneous nucleation centers and claimed to enhance the nucleation rates by molecular confinement. The measured kinetic profiles of crystal fraction of spherulites indicate that the crystallization of spherulites may be proceeding via secondary nucleation pathways.

  8. Macromolecular Crystal Quality

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Borgstahl, Gloria E. O.; Bellamy, Henry D.; Curreri, Peter A. (Technical Monitor)

    2001-01-01

    There are many ways of judging a good crystal. Which we use depends on the qualities we seek. For gemstones size, clarity and impurity levels (color) are paramount. For the semiconductor industry purity is probably the most important quality. For the structural crystallographer the primary desideratum is the somewhat more subtle concept of internal order. In this chapter we discuss the effect of internal order (or the lack of it) on the crystal's diffraction properties.

  9. Engineering Crystal Morphology

    NASA Astrophysics Data System (ADS)

    Dandekar, Preshit; Kuvadia, Zubin B.; Doherty, Michael F.

    2013-07-01

    Crystallization is an important separation and particle formation technique in the manufacture of high-value-added products. During crystallization, many physicochemical characteristics of the substance are established. Such characteristics include crystal polymorph, shape and size, chemical purity and stability, reactivity, and electrical and magnetic properties. However, control over the physical form of crystalline materials has remained poor, due mainly to an inadequate understanding of the basic growth and dissolution mechanisms, as well as of the influence of impurities, additives, and solvents on the growth rate of individual crystal faces. Crystal growth is a surface-controlled phenomenon in which solute molecules are incorporated into surface lattice sites to yield the bulk long-range order that characterizes crystalline materials. In this article, we describe some recent advances in crystal morphology engineering, with a special focus on a new mechanistic model for spiral growth. These mechanistic ideas are simple enough that they can be made to work and accurate enough that they are useful.

  10. Phononic crystal diffraction gratings

    NASA Astrophysics Data System (ADS)

    Moiseyenko, Rayisa P.; Herbison, Sarah; Declercq, Nico F.; Laude, Vincent

    2012-02-01

    When a phononic crystal is interrogated by an external source of acoustic waves, there is necessarily a phenomenon of diffraction occurring on the external enclosing surfaces. Indeed, these external surfaces are periodic and the resulting acoustic diffraction grating has a periodicity that depends on the orientation of the phononic crystal. This work presents a combined experimental and theoretical study on the diffraction of bulk ultrasonic waves on the external surfaces of a 2D phononic crystal that consists of a triangular lattice of steel rods in a water matrix. The results of transmission experiments are compared with theoretical band structures obtained with the finite-element method. Angular spectrograms (showing frequency as a function of angle) determined from diffraction experiments are then compared with finite-element simulations of diffraction occurring on the surfaces of the crystal. The experimental results show that the diffraction that occurs on its external surfaces is highly frequency-dependent and has a definite relation with the Bloch modes of the phononic crystal. In particular, a strong influence of the presence of bandgaps and deaf bands on the diffraction efficiency is found. This observation opens perspectives for the design of efficient phononic crystal diffraction gratings.

  11. Crystal growth of artificial snow

    NASA Technical Reports Server (NTRS)

    Kimura, S.; Oka, A.; Taki, M.; Kuwano, R.; Ono, H.; Nagura, R.; Narimatsu, Y.; Tanii, J.; Kamimiytat, Y.

    1984-01-01

    Snow crystals were grown onboard the space shuttle during STS-7 and STS-8 to facilitate the investigation of crystal growth under conditions of weightlessness. The experimental design and hardware are described. Space-grown snow crystals were polyhedrons looking like spheres, which were unlike snow crystals produced in experiments on Earth.

  12. The Crystallization of Monosodium Urate

    PubMed Central

    Martillo, Miguel A.; Nazzal, Lama; Crittenden, Daria B.

    2014-01-01

    Gout is a common crystal-induced arthritis, in which monosodium urate (MSU) crystals precipitate within joints and soft tissues and elicit an inflammatory response. The causes of elevated serum urate and the inflammatory pathways activated by MSU crystals have been well studied, but less is known about the processes leading to crystal formation and growth. Uric acid, the final product of purine metabolism, is a weak acid that circulates as the deprotonated urate anion under physiologic conditions, and combines with sodium ions to form MSU. MSU crystals are known to have a triclinic structure, in which stacked sheets of purine rings form the needle-shaped crystals that are observed microscopically. Exposed, charged crystal surfaces are thought to allow for interaction with phospholipid membranes and serum factors, playing a role in the crystal-mediated inflammatory response. While hyperuricemia is a clear risk factor for gout, local factors have been hypothesized to play a role in crystal formation, such as temperature, pH, mechanical stress, cartilage components, and other synovial and serum factors. Interestingly, several studies suggest that MSU crystals may drive the generation of crystal-specific antibodies that facilitate future MSU crystallization. Here, we review MSU crystal biology, including a discussion of crystal structure, effector function, and factors thought to play a role in crystal formation. We also briefly compare MSU biology to that of uric acid stones causing nephrolithasis, and consider the potential treatment implications of MSU crystal biology. PMID:24357445

  13. Crystal Chemistry of Lead Oxide Hydroxide Nitrates. II. The Crystal Structure of Pb 13O 8(OH) 6(NO 3) 4

    NASA Astrophysics Data System (ADS)

    Li, Yaping; Krivovichev, Sergey V.; Burns, Peter C.

    2001-04-01

    The lead oxide hydroxide nitrate, Pb13O8(OH)6(NO3)4, has been synthesized by hydrothermal methods. The crystal structure has been determined by single-crystal X-ray diffraction and refined to R1=0.040. The compound is rhombohedral, space group Roverline3, a=10.283(1) Å, c=25.471(4) Å, V=2331.6(5) Å3, Z=3. The principal unit of the structure is the [Pb13O8(OH)6]4+ cluster built from eight [OPb4] tetrahedra that share a common Pb corner. The OH- anions are coordinated to two Pb atoms each, forming Pb2(OH)3+ groups. The [Pb13O8(OH)6]4+ clusters found in the structure have not been previously observed in an inorganic compound. The [Pb13O8(OH)6]4+ clusters are located at the vertices of a 36 net and are linked by (NO3)- triangles.

  14. Crystallization phenomena in slags

    NASA Astrophysics Data System (ADS)

    Orrling, Carl Folke

    2000-09-01

    The crystallization of the mold slag affects both the heat transfer and the lubrication between the mold and the strand in continuous casting of steel. In order for mold slag design to become an engineering science rather than an empirical exercise, a fundamental understanding of the melting and solidification behavior of a slag must be developed. Thus it is necessary to be able to quantify the phenomena that occur under the thermal conditions that are found in the mold of a continuous caster. The double hot thermocouple technique (DHTT) and the Confocal Laser Scanning Microscope used in this study are two novel techniques for investigating melting and solidification phenomena of transparent slags. Results from these techniques are useful in defining the phenomena that occur when the slag film infiltrates between the mold and the shell of the casting. TTT diagrams were obtained for various slags and indicated that the onset of crystallization is a function of cooling rate and slag chemistry. Crystal morphology was found to be dependent upon the experimental temperature and four different morphologies were classified based upon the degree of melt undercooling. Continuous cooling experiments were carried out to develop CCT diagrams and it was found that the amount and appearance of the crystalline fraction greatly depends on the cooling conditions. The DHTT can also be used to mimic the cooling profile encountered by the slag in the mold of a continuous caster. In this differential cooling mode (DCT), it was found that the details of the cooling rate determine the actual response of the slag to a thermal gradient and small changes can lead to significantly different results. Crystal growth rates were measured and found to be in the range between 0.11 mum/s to 11.73 mum/s depending on temperature and slag chemistry. Alumina particles were found to be effective innoculants in oxide melts reducing the incubation time for the onset of crystallization and also extending

  15. Introduction to protein crystallization

    PubMed Central

    McPherson, Alexander; Gavira, Jose A.

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid–liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies. PMID:24419610

  16. Crystal Growth Control

    NASA Technical Reports Server (NTRS)

    Duval, Walter M. B.; Batur, Celal; Bennett, Robert J.

    1997-01-01

    We present an innovative design of a vertical transparent multizone furnace which can operate in the temperature range of 25 C to 750 C and deliver thermal gradients of 2 C/cm to 45 C/cm for the commercial applications to crystal growth. The operation of the eight zone furnace is based on a self-tuning temperature control system with a DC power supply for optimal thermal stability. We show that the desired thermal profile over the entire length of the furnace consists of a functional combination of the fundamental thermal profiles for each individual zone obtained by setting the set-point temperature for that zone. The self-tuning system accounts for the zone to zone thermal interactions. The control system operates such that the thermal profile is maintained under thermal load, thus boundary conditions on crystal growth ampoules can be predetermined prior to crystal growth. Temperature profiles for the growth of crystals via directional solidification, vapor transport techniques, and multiple gradient applications are shown to be easily implemented. The unique feature of its transparency and ease of programming thermal profiles make the furnace useful for scientific and commercial applications for the determination of process parameters to optimize crystal growth conditions.

  17. Introduction to protein crystallization.

    PubMed

    McPherson, Alexander; Gavira, Jose A

    2014-01-01

    Protein crystallization was discovered by chance about 150 years ago and was developed in the late 19th century as a powerful purification tool and as a demonstration of chemical purity. The crystallization of proteins, nucleic acids and large biological complexes, such as viruses, depends on the creation of a solution that is supersaturated in the macromolecule but exhibits conditions that do not significantly perturb its natural state. Supersaturation is produced through the addition of mild precipitating agents such as neutral salts or polymers, and by the manipulation of various parameters that include temperature, ionic strength and pH. Also important in the crystallization process are factors that can affect the structural state of the macromolecule, such as metal ions, inhibitors, cofactors or other conventional small molecules. A variety of approaches have been developed that combine the spectrum of factors that effect and promote crystallization, and among the most widely used are vapor diffusion, dialysis, batch and liquid-liquid diffusion. Successes in macromolecular crystallization have multiplied rapidly in recent years owing to the advent of practical, easy-to-use screening kits and the application of laboratory robotics. A brief review will be given here of the most popular methods, some guiding principles and an overview of current technologies. PMID:24419610

  18. Analysis of the 3d(sup 6)4s((sup 6)D)4f-5g supermultiplet of Fe I in laboratory and solar infrared spectra

    NASA Technical Reports Server (NTRS)

    Johansson, S.; Nave, G.; Geller, M.; Sauval, A. J.; Grevesse, N.; Schoenfeld, W. G.; Change, E. S.; Farmer, C. B.

    1994-01-01

    The combined laboratory and solar analysis of the highly excited subconfigurations 3d(sup 6)4s((sup 6)D)4f and 3d(sup 6)4s((sup 6)D)5g of Fe I has allowed us to classify 87 lines of the 4f-5g supermultiplet in the spectral region 2545-2585 per cm. The level structure of these JK-coupled configurations is predicted by semiempirical calculations and the quardrupolic approximation. Semiempirical gf-values have been calculated and are compared to gf-values derived from the solar spectrum. The solar analysis has shown that these lines, which should be much less sensitive than lower excitation lines to departures from Local Thermal Equilibrium (LTE) and to temperature uncertanties, lead to a solar abundance of iron which is consistent with the meteoritic value (A(sub Fe) = 7.51).

  19. Protein Crystals and their Growth

    NASA Technical Reports Server (NTRS)

    Chernov, A. A.

    2004-01-01

    Recent results on binding between protein molecules in crystal lattice, crystal-solution surface energy, elastic properties and strength and spontaneous crystal cracking are reviewed and discussed in the first half of this paper (Sea 2-4). In the second par&, some basic approaches to solubility of proteins are followed by overview on crystal nucleation and growth (Sec 5). It is argued that variability of mixing in batch crystallization may be a source for scattering of crystal number ultimately appearing in the batch. Frequency at which new molecules join crystal lattice is measured by kinetic coefficient and related to the observable crystal growth rate. Numerical criteria to discriminate diffusion and kinetic limited growth are discussed on this basis in Sec 7. In Sec 8, creation of defects is discussed with the emphasis on the role of impurities and convection on macromolecular crystal I;erfection.

  20. Protein crystals and their growth

    NASA Technical Reports Server (NTRS)

    Chernov, Alexander A.

    2003-01-01

    Recent results on the associations between protein molecules in crystal lattices, crystal-solution surface energy, elastic properties, strength, and spontaneous crystal cracking are reviewed and discussed. In addition, some basic approaches to understanding the solubility of proteins are followed by an overview of crystal nucleation and growth. It is argued that variability of mixing in batch crystallization may be a source of the variation in the number of crystals ultimately appearing in the sample. The frequency at which new molecules join a crystal lattice is measured by the kinetic coefficient and is related to the observed crystal growth rate. Numerical criteria used to discriminate diffusion- and kinetic-limited growth are discussed on this basis. Finally, the creation of defects is discussed with an emphasis on the role of impurities and convection on macromolecular crystal perfection.

  1. Frequency doubling crystals

    DOEpatents

    Wang, Francis; Velsko, Stephan P.

    1989-01-01

    A systematic approach to the production of frequency conversion crystals is described in which a chiral molecule has attached to it a "harmonic generating unit" which contributes to the noncentrosymmetry of the molecule. Certain preferred embodiments of such harmonic generating units include carboxylate, guanadyly and imidazolyl units. Certain preferred crystals include L-arginine fluoride, deuterated L-arginine fluoride, L-arginine chloride monohydrate, L-arginine acetate, dithallium tartrate, ammonium N-acetyl valine, N-acetyl tyrosine and N-acetyl hydroxyproline. Chemical modifications of the chiral molecule, such as deuteration, halogenation and controlled counterion substitution are available to adapt the dispersive properties of a crystal in a particular wavelength region.

  2. Tunable electrochromic photonic crystals

    NASA Astrophysics Data System (ADS)

    Kuai, Su-Lan; Bader, Georges; Ashrit, P. V.

    2005-05-01

    Photonic crystals based on the electrochromic phenomenon have been fabricated and proposed for band gap tuning. Electrochromic tungsten trioxide (WO3) inverse opals have been fabricated by polystyrene colloidal crystal templating. The WO3 matrix was obtained through a dip-infiltrating sol-gel process, with subsequent removal of the polymer microspheres by calcination. Scanning electron micrographs confirm the ordering of the hexagonal macroporous structure. The reflection spectra show two pronounced Bragg diffraction peaks. By inserting lithium into the crystals, the first reflection peak shifts gradually toward shorter wavelength for 36 nm, while the second reflection peak shifts toward longer wavelength for about 28 nm. This should be of great interest for photonic device applications.

  3. Crystallization of atactic polystyrene

    NASA Astrophysics Data System (ADS)

    Chai, Yu; Forrest, James

    Atactic polystyrene is often used as an archetypical example of a material that has no crystalline ground state due to the lack of order in the arrangement of phenyl groups along the backbone. However, even in polymers with perfect Bernoullian (random) statistics, there is a probability that a given molecule will have larger blocks of a given stereoregularity. These blocks, in turn, could allow the formation of nanocrysalline domains. As a model system to investigate whether such blocks could lead to nanoscale crystallinity, we consider PS with Mw less than 1000 where there is a reasonable probability of a molecule having all meso or racemo diads . For the case of Mw 600, there are clear indications of crystal growth with two characteristic temperatures below which two different crystal species can nucleate and grow. Similar crystal growth and melting behavior is observed for Mw 1000.

  4. Protein Crystal Quality Studies

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Eddie Snell (standing), Post-Doctoral Fellow the National Research Council (NRC),and Marc Pusey of Marshall Space Flight Center (MSFC) use a reciprocal space mapping diffractometer for marcromolecular crystal quality studies. The diffractometer is used in mapping the structure of marcromolecules such as proteins to determine their structure and thus understand how they function with other proteins in the body. This is one of several analytical tools used on proteins crystalized on Earth and in space experiments. Photo credit: NASA/Marshall Space Flight Center (MSFC)

  5. Semiconductor nanorod liquid crystals

    SciTech Connect

    Li, Liang-shi; Walda, Joost; Manna, Liberato; Alivisatos, A. Paul

    2002-01-28

    Rodlike molecules form liquid crystalline phases with orientational order and positional disorder. The great majority of materials in which liquid crystalline phases have been observed are comprised of organic molecules or polymers, even though there has been continuing and growing interest in inorganic liquid crystals. Recent advances in the control of the sizes and shapes of inorganic nanocrystals allow for the formation of a broad class of new inorganic liquid crystals. Here we show the formation of liquid crystalline phases of CdSe semiconductor nanorods. These new liquid crystalline phases may have great importance for both application and fundamental study.

  6. Protein Crystal Malic Enzyme

    NASA Technical Reports Server (NTRS)

    1992-01-01

    Malic Enzyme is a target protein for drug design because it is a key protein in the life cycle of intestinal parasites. After 2 years of effort on Earth, investigators were unable to produce any crystals that were of high enough quality and for this reason the structure of this important protein could not be determined. Crystals obtained from one STS-50 were of superior quality allowing the structure to be determined. This is just one example why access to space is so vital for these studies. Principal Investigator is Larry DeLucas.

  7. FRACTIONAL CRYSTALLIZATION FEED ENVELOPE

    SciTech Connect

    HERTING DL

    2008-03-19

    Laboratory work was completed on a set of evaporation tests designed to establish a feed envelope for the fractional crystallization process. The feed envelope defines chemical concentration limits within which the process can be operated successfully. All 38 runs in the half-factorial design matrix were completed successfully, based on the qualitative definition of success. There is no feed composition likely to be derived from saltcake dissolution that would cause the fractional crystallization process to not meet acceptable performance requirements. However, some compositions clearly would provide more successful operation than other compositions.

  8. Ion Coulomb crystals

    NASA Astrophysics Data System (ADS)

    Drewsen, Michael

    2015-03-01

    The following text will give a brief introduction to the physics of the spatially ordered structures, so-called Coulomb crystals, that appear when confined ions are cooled to sufficiently low temperatures. It will as well briefly comment on the very diverse scientific applications of such crystals, which have emerged the past two decades. While this document lacks figures, it includes a substantial number of references in which more detailed information can be found. It is the hope that the text will stimulate the reader to dig deeper into one or more of the discussed subjects and inspire her/him to think about new potential applications.

  9. Liquid crystal polyester thermosets

    SciTech Connect

    Benicewicz, B.C.; Hoyt, A.E.

    1990-01-01

    The present invention relates to the field of curable liquid crystal polyester monomers and to thermoset liquid crystalline polyester compositions prepared therefrom. It is an object of this invention to provide curable liquid crystalline polyester materials. Another object of this invention is to provide a process of preparing curable liquid crystal polyester monomers. Yet another object of this invention is to provide liquid crystalline blends of polyester materials. It is a further object of this invention to provide thermoset liquid crystalline polyester compositions. It is a still further object of this invention to provide thermoset liquid crystalline polyester compositions having a high heat resistance. 1 fig.

  10. Liquid crystal polyester thermosets

    SciTech Connect

    Benicewicz, B.C.; Hoyt, A.E.

    1990-12-31

    The present invention relates to the field of curable liquid crystal polyester monomers and to thermoset liquid crystalline polyester compositions prepared therefrom. It is an object of this invention to provide curable liquid crystalline polyester materials. Another object of this invention is to provide a process of preparing curable liquid crystal polyester monomers. Yet another object of this invention is to provide liquid crystalline blends of polyester materials. It is a further object of this invention to provide thermoset liquid crystalline polyester compositions. It is a still further object of this invention to provide thermoset liquid crystalline polyester compositions having a high heat resistance. 1 fig.

  11. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    1999-01-01

    A method and apparatus for dynamically controlling the crystallization of proteins including a crystallization chamber or chambers for holding a protein in a salt solution, one or more salt solution chambers, two communication passages respectively coupling the crystallization chamber with each of the salt solution chambers, and transfer mechanisms configured to respectively transfer salt solution between each of the salt solution chambers and the crystallization chamber. The transfer mechanisms are interlocked to maintain the volume of salt solution in the crystallization chamber substantially constant. Salt solution of different concentrations is transferred into and out of the crystallization chamber to adjust the salt concentration in the crystallization chamber to achieve precise control of the crystallization process.

  12. Nucleation-trap crystallizer for growth of crystals from solutions

    NASA Astrophysics Data System (ADS)

    Karnal, A. K.; Saxena, A.; Ganesamoorthy, S.; Bhaumik, Indranil; Wadhawan, V. K.; Bhat, H. L.; Gupta, P. K.

    2006-12-01

    Stability of the solution against spurious nucleation plays a dominant role in the growth of crystals at high growth rates requiring high levels of supersaturation. If any spurious nucleation does occur during a growth run, it becomes practically impossible to grow a very large crystal. A novel nucleation-trap crystallizer has been developed and used for the growth of crystals from aqueous solution so as to trap any unwanted nuclei and the particles that appear and settle at the bottom of the crystallizer during the growth process. In this crystallizer, any particles and nuclei nucleating during the growth are forced into the nucleation trap (or well) and subsequently by manipulating the temperature of the well; the growth of the nuclei is arrested. DKDP and ammonium acid phthalate crystals were grown in the developed system. X-ray rocking curve measurements on DKDP and ammonium acid phthalate crystals yielded FWHM of 89.1 and 29.71 arcsec, respectively.

  13. Crystallization kinetics of ammonium perchlorate in MSMPR crystallizer

    NASA Astrophysics Data System (ADS)

    Tanrıkulu, S. Ü.; Eroğlu, İ.; Bulutcu, A. N.; Özkar, S.

    2000-01-01

    The effects of supersaturation level, sodium chloride (NaCl) as impurity, and the suspension density of the crystallizer content on the crystallization kinetics of ammonium perchlorate (AP) were studied in a mixed-suspension mixed-product removal crystallizer. The product crystals have a plate-like morphology. The crystal size distribution is not affected by the supersaturation level. There was a deviation from the ideal population density where the growth rate of pure AP crystallization was size dependent with the order of 0.4 according to Abegg, Stevens and Larson (ASL) model. However, the ASL model was not found to be suitable to express the growth rate of the crystals in NaCl containing AP solution. Also when suspension density of the crystallizer increased, secondary nucleation was observed.

  14. Functionalizing Designer DNA Crystals

    NASA Astrophysics Data System (ADS)

    Chandrasekaran, Arun Richard

    Three-dimensional crystals have been self-assembled from a DNA tensegrity triangle via sticky end interaction. The tensegrity triangle is a rigid DNA motif containing three double helical edges connected pair-wise by three four-arm junctions. The symmetric triangle contains 3 unique strands combined in a 3:3:1 ratio: 3 crossover, 3 helical and 1 central. The length of the sticky end reported previously was two nucleotides (nt) (GA:TC) and the motif with 2-helical turns of DNA per edge diffracted to 4.9 A at beam line NSLS-X25 and to 4 A at beam line ID19 at APS. The purpose of these self-assembled DNA crystals is that they can be used as a framework for hosting external guests for use in crystallographic structure solving or the periodic positioning of molecules for nanoelectronics. This thesis describes strategies to improve the resolution and to incorporate guests into the 3D lattice. The first chapter describes the effect of varying sticky end lengths and the influence of 5'-phosphate addition on crystal formation and resolution. X-ray diffraction data from beam line NSLS-X25 revealed that the crystal resolution for 1-nt (G:C) sticky end was 3.4 A. Motifs with every possible combination of 1-nt and 2-nt sticky-ended phosphorylated strands were crystallized and X-ray data were collected. The position of the 5'-phosphate on either the crossover (strand 1), helical (strand 2), or central strand (3) had an impact on the resolution of the self-assembled crystals with the 1-nt 1P-2-3 system diffracting to 2.62 A at APS and 3.1 A at NSLS-X25. The second chapter describes the sequence-specific recognition of DNA motifs with triplex-forming oligonucleotides (TFOs). This study examined the feasibility of using TFOs to bind to specific locations within a 3-turn DNA tensegrity triangle motif. The TFO 5'-TTCTTTCTTCTCT was used to target the tensegrity motif containing an appropriately embedded oligopurine.oligopyrimidine binding site. As triplex formation involving cytidine

  15. Protein Crystal Bovine Insulin

    NASA Technical Reports Server (NTRS)

    1991-01-01

    The comparison of protein crystal, Bovine Insulin space-grown (left) and earth-grown (right). Facilitates the incorporation of glucose into cells. In diabetics, there is either a decrease in or complete lack of insulin, thereby leading to several harmful complications. Principal Investigator is Larry DeLucas.

  16. Bridgman crystal growth

    NASA Technical Reports Server (NTRS)

    Carlson, Frederick

    1990-01-01

    The objective of this theoretical research effort was to improve the understanding of the growth of Pb(x)Sn(1-x)Te and especially how crystal quality could be improved utilizing the microgravity environment of space. All theoretical growths are done using the vertical Bridgman method. It is believed that improved single crystal yields can be achieved by systematically identifying and studying system parameters both theoretically and experimentally. A computational model was developed to study and eventually optimize the growth process. The model is primarily concerned with the prediction of the thermal field, although mass transfer in the melt and the state of stress in the crystal were of considerable interest. The evolution is presented of the computer simulation and some of the important results obtained. Diffusion controlled growth was first studied since it represented a relatively simple, but nontheless realistic situation. In fact, results from this analysis prompted a study of the triple junction region where the melt, crystal, and ampoule wall meet. Since microgravity applications were sought because of the low level of fluid movement, the effect of gravitational field strength on the thermal and concentration field was also of interest. A study of the strength of coriolis acceleration on the growth process during space flight was deemed necessary since it would surely produce asymmetries in the flow field if strong enough. Finally, thermosolutal convection in a steady microgravity field for thermally stable conditions and both stable and unstable solutal conditions was simulated.

  17. Thermoelectricity in liquid crystals

    NASA Astrophysics Data System (ADS)

    Mohd Said, Suhana; Nordin, Abdul Rahman; Abdullah, Norbani; Balamurugan, S.

    2015-09-01

    The thermoelectric effect, also known as the Seebeck effect, describes the conversion of a temperature gradient into electricity. A Figure of Merit (ZT) is used to describe the thermoelectric ability of a material. It is directly dependent on its Seebeck coefficient and electrical conductivity, and inversely dependent on its thermal conductivity. There is usually a compromise between these parameters, which limit the performance of thermoelectric materials. The current achievement for ZT~2.2 falls short of the expected threshold of ZT=3 to allow its viability in commercial applications. In recent times, advances in organic thermoelectrics been significant, improving by over 3 orders of magnitude over a period of about 10 years. Liquid crystals are newly investigated as candidate thermoelectric materials, given their low thermal conductivity, inherent ordering, and in some cases, reasonable electrical conductivity. In this work the thermoelectric behaviour of a discotic liquid crystal, is discussed. The DLC was filled into cells coated with a charge injector, and an alignment of the columnar axis perpendicular to the substrate was allowed to form. This thermoelectric behavior can be correlated to the order-disorder transition. A reasonable thermoelectric power in the liquid crystal temperature regime was noted. In summary, thermoelectric liquid crystals may have the potential to be utilised in flexible devices, as a standalone power source.

  18. The Crystal Set

    ERIC Educational Resources Information Center

    Greenslade, Thomas B., Jr.

    2014-01-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought…

  19. DIFFRACTION FROM MODEL CRYSTALS

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Although calculating X-ray diffraction patterns from atomic coordinates of a crystal structure is a widely available capability, calculation from non-periodic arrays of atoms has not been widely applied to cellulose. Non-periodic arrays result from modeling studies that, even though started with at...

  20. Rate of Lysozyme Crystallization

    NASA Astrophysics Data System (ADS)

    Baird, J. K.; Clunie, J. C.

    1997-03-01

    We have observed the following: Free solution measurements of the electrophoretic mobility of hen egg-white lysozyme crystals grown in aqueous NaCl at 10 deg C at pH values between 3.6 and 5.7 demonstrate that the crystals are positively charged.(J.K. Baird, A.M. Holmes, and J.C. Clunie, Bull.Am.Phys.Soc. 41, 620 (1996)) (2) When the decaying concentration of uncrystallized lysozyme in the growth solution is monitored as a function of time, the log of the half-life decreases linearly with the square-root of the ionic strength. (3) Acid-base titration shows that lysozyme molecules in solution exist as highly charged cations.(R. Roxby and C. Tanford, Biochemistry 10, 3348 (1971)) These three observations combine to suggest that lysozyme crystallizes by addition of lysozyme cations to positively charged crystal nuclei and that the rate is accelerated by the presence of strong electrolytes.

  1. Laser schlieren crystal monitor

    NASA Technical Reports Server (NTRS)

    Owen, Robert B. (Inventor); Johnston, Mary H. (Inventor)

    1987-01-01

    A system and method for monitoring the state of a crystal which is suspended in a solution is described which includes providing a light source for emitting a beam of light along an optical axis. A collimating lens is arranged along the optical axis for collimating the emitted beam to provide a first collimated light beam consisting of parallel light rays. By passing the first collimated light beam through a transparent container, a number of the parallel light rays are deflected off the surfaces of said crystal being monitored according to the refractive index gradient to provide a deflected beam of deflected light rays. A focusing lens is arranged along optical axis for focusing the deflected rays towards a desired focal point. A knife edge is arranged in a predetermined orientation at the focal point; and a screen is provided. A portion of the deflected beam is blocked with the knife edge to project only a portion of the deflected beam. A band is created at one edge of the image of the crystal which indicates the state of change of the surface of the crystal being monitored.

  2. FTIR spectroscopy of borate crystals

    NASA Astrophysics Data System (ADS)

    Kovacs, Laszlo; Beregi, E.; Polgar, K.; Peter, A.

    1999-03-01

    Infrared absorption spectroscopy has been used to study the vibrational modes in various borate crystals, the electronic transitions of Nd3+ ions in NYAB, and the stretching vibration of hydroxyl ions in CLBO crystals.

  3. Controlling Chirality of Entropic Crystals

    NASA Astrophysics Data System (ADS)

    Damasceno, Pablo F.; Karas, Andrew S.; Schultz, Benjamin A.; Engel, Michael; Glotzer, Sharon C.

    2015-10-01

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams.

  4. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Rosenblum, William M.; Delucas, Lawrence J.; Wilson, William W.

    1989-01-01

    Major advances have been made in several of the experimental aspects of protein crystallography, leaving protein crystallization as one of the few remaining bottlenecks. As a result, it has become important that the science of protein crystal growth is better understood and that improved methods for protein crystallization are developed. Preliminary experiments with both small molecules and proteins indicate that microgravity may beneficially affect crystal growth. For this reason, a series of protein crystal growth experiments using the Space Shuttle was initiated. The preliminary space experiments were used to evolve prototype hardware that will form the basis for a more advanced system that can be used to evaluate effects of gravity on protein crystal growth. Various optical techniques are being utilized to monitor the crystal growth process from the incipient or nucleation stage and throughout the growth phase. The eventual goal of these studies is to develop a system which utilizes optical monitoring for dynamic control of the crystallization process.

  5. Protein Crystals of Raf Kinase

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This image shows crystals of the protein raf kinase grown on Earth (photo a) and on USML-2 (photo b). The space-grown crystals are an order of magnitude larger. Principal Investigator: Dan Carter of New Century Pharmaceuticals

  6. Controlling Chirality of Entropic Crystals.

    PubMed

    Damasceno, Pablo F; Karas, Andrew S; Schultz, Benjamin A; Engel, Michael; Glotzer, Sharon C

    2015-10-01

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams. PMID:26550757

  7. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Delucas, Lawrence J.; Bugg, Charles E.

    1991-01-01

    Studies of protein crystal growth in the microgravity environment in space are described with special attention given to the crystal growth facilities and the techniques used in Space Shuttle experiments. The properties of large space-grown crystals of gamma interferon, elastase, lathyros ochrus lectin I, and few other proteins grown on various STS flights are described. A comparison of the microgravity-grown crystals with the bast earth-grown crystals demonstrated that the space-grown crystals are more highly ordered at the molecular level than their earth-grown counterparts. When crystallization conditions were optimized, the microgravity-grown protein crystals were larger, displayed more uniform morphologies, and yielded diffraction data to significantly higher resolution than their earth-grown counterparts.

  8. PYTHIA 6.4 Physics and Manual

    SciTech Connect

    Sjostrand, Torbjorn; Mrenna, Stephen; Skands, Peter; /Fermilab

    2006-03-01

    The Pythia program can be used to generate high-energy-physics ''events'', i.e. sets of outgoing particles produced in the interactions between two incoming particles. The objective is to provide as accurate as possible a representation of event properties in a wide range of reactions, within and beyond the Standard Model, with emphasis on those where strong interactions play a role, directly or indirectly, and therefore multihadronic final states are produced. The physics is then not understood well enough to give an exact description; instead the program has to be based on a combination of analytical results and various QCD-based models. This physics input is summarized here, for areas such as hard subprocesses, initial- and final-state parton showers, underlying events and beam remnants, fragmentation and decays, and much more. Furthermore, extensive information is provided on all program elements: subroutines and functions, switches and parameters, and particle and process data. This should allow the user to tailor the generation task to the topics of interest.

  9. 24 CFR 6.4 - Discrimination prohibited.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... at 24 CFR part 8 apply to discrimination on the basis of disability; and the regulations at 24 CFR... Recipient shall not be prohibited by this section from taking any action eligible under subpart C of 24 CFR... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Discrimination prohibited....

  10. 24 CFR 6.4 - Discrimination prohibited.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... at 24 CFR part 8 apply to discrimination on the basis of disability; and the regulations at 24 CFR... Recipient shall not be prohibited by this section from taking any action eligible under subpart C of 24 CFR... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Discrimination prohibited....

  11. 24 CFR 6.4 - Discrimination prohibited.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... at 24 CFR part 8 apply to discrimination on the basis of disability; and the regulations at 24 CFR... Recipient shall not be prohibited by this section from taking any action eligible under subpart C of 24 CFR... 24 Housing and Urban Development 1 2014-04-01 2014-04-01 false Discrimination prohibited....

  12. 24 CFR 6.4 - Discrimination prohibited.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... at 24 CFR part 8 apply to discrimination on the basis of disability; and the regulations at 24 CFR... Recipient shall not be prohibited by this section from taking any action eligible under subpart C of 24 CFR... 24 Housing and Urban Development 1 2011-04-01 2011-04-01 false Discrimination prohibited....

  13. 24 CFR 6.4 - Discrimination prohibited.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... at 24 CFR part 8 apply to discrimination on the basis of disability; and the regulations at 24 CFR... Recipient shall not be prohibited by this section from taking any action eligible under subpart C of 24 CFR... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Discrimination prohibited....

  14. Small Business Innovations (Crystal Components)

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Scientific Materials Corporation, Bozeman, MT developed the SciMax line of improved Nd:Yag crystals under an Small Business Innovation Research (SBIR) contract with Langley Research Center. They reduced the amount of water trapped in the crystals during growth to improve the optical quality and efficiency. Applications of the crystals include fiber optics, telecommunications, welding, drilling, eye surgery and medical instrumentation.

  15. Direct flow crystal growth system

    DOEpatents

    Montgomery, Kenneth E.; Milanovich, Fred P.

    1992-01-01

    A crystal is grown in a constantly filtered solution which is flowed directly into the growing face of a crystal. In a continuous flow system, solution at its saturation temperature is removed from a crystal growth tank, heated above its saturation temperature, filtered, cooled back to its saturation temperature, and returned to the tank.

  16. Food Crystallization and Egg Products

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Sugar, salt, lactose, tartaric acid and ice are examples of constituents than can crystallize in foods. Crystallization in a food product can be either beneficial or detrimental and is of particular importance in candy and frozen desserts. The most common crystal in foods is sugar which affects th...

  17. Chiral Crystallization of Ethylenediamine Sulfate

    ERIC Educational Resources Information Center

    Koby, Lawrence; Ningappa, Jyothi B.; Dakesssian, Maria; Cuccia, Louis A.

    2005-01-01

    The optimal conditions for the crystallization of achiral ethylenediamine sulfate into large chiral crystals that are ideal for polarimetry studies and observation using Polaroid sheets are presented. This experiment is an ideal undergraduate experiment, which clearly demonstrates the chiral crystallization of an achiral molecule.

  18. Physical vapor transport crystal growth

    NASA Technical Reports Server (NTRS)

    Yoel, Dave W.; Anderson, Elmer; Wu, Maw-Kuen; Cheng, H. Y.

    1987-01-01

    The goals of this research are two-fold: to study effective means of growing ZnSe crystals of good optical quality and to determine the advantages of growing such crystals in microgravity. As of this date the optimal conditions for crystal growth have not been determined. However, successful growth runs were made in two furnances and the results are given.

  19. Colouring crystals with inorganic nanoparticles.

    PubMed

    Kulak, Alexander N; Yang, Pengcheng; Kim, Yi-Yeoun; Armes, Steven P; Meldrum, Fiona C

    2014-01-01

    A simple, one-pot method is presented whereby gold nanoparticles coated with a zwitterionic diblock copolymer are incorporated within single crystals of calcite. This may provide a versatile alternative to dyeing crystal with organic molecules and could be extended to create a series of new nanocomposite crystals with novel properties. PMID:24202647

  20. Liquid crystal orientation control in photonic liquid crystal fibers

    NASA Astrophysics Data System (ADS)

    Chychlowski, M. S.; Nowinowski-Kruszelnicki, E.; Woliński, T. R.

    2011-05-01

    Similarly to liquid crystal displays technology in photonic liquid crystal fibers (PLCFs) a molecular orientation control is a crucial issue that influences proper operation of PLCF-based devices. The paper presents two distinct configurations: planar and radial escaped orientation of the LC molecules inside capillaries as well as methods of their application to photonic liquid crystal fibers. Possibilities of LC orientation control influence both: attenuation and transmitting spectra of the PLCF The orienting method is based on creation of an additional orienting layer on the inner surface of the capillary or air hole of the photonic liquid crystal fiber. Aligning materials used in the experiment are commercially available polyimides SE1211 and SE130 which induce liquid crystal homeotropic and planar anchoring conditions. The orienting layer increase an order parameter of the liquid crystal improving propagation properties and stability of photonic liquid crystal fiber-based devices.

  1. Laser alexandrite crystals grown by horizontal oriented crystallization technique

    NASA Astrophysics Data System (ADS)

    Gurov, V. V.; Tsvetkov, E. G.; Yurkin, A. M.

    2008-05-01

    Comparative studies were performed for alexandrite crystals, Al 2BeO 4:Cr 3+, employed in solid state lasers and grown by the horizontal oriented crystallization (HOC) technique and alexandrite crystals grown by the Czochralski (Cz) method. It was shown that the structural quality and possibilities of generation of stimulated emission HOC-crystals are similar to Cz-crystals, whereas their damage threshold is about three times higher. The obtained results and considerably lower cost price of HOC-alexandrite crystals prove their advantageous application in powerful laser systems, which require large laser rods with a higher resistance to laser beam. It is emphasized that application of HOC technique is promising for growth of laser crystals of other high-temperature oxide compounds.

  2. 5'-S-(2-aminoethyl)-N6-(4-nitrobenzyl)-5'-thioadenosine (SAENTA), a novel ligand with high affinity for polypeptides associated with nucleoside transport. Partial purification of the nitrobenzylthioinosine-binding protein of pig erythrocytes by affinity chromatography.

    PubMed Central

    Agbanyo, F R; Vijayalakshmi, D; Craik, J D; Gati, W P; McAdam, D P; Asakura, J; Robins, M J; Paterson, A R; Cass, C E

    1990-01-01

    Derivatives of N6-(4-aminobenzyl)adenosine (substituted at the aminobenzyl group) and 5'-linked derivatives of N6-(4-nitrobenzyl)adenosine (NBAdo) were evaluated as inhibitors of site-specific binding of [3H]nitrobenzylthioinosine (NBMPR) to pig erythrocyte membranes. Potent inhibitors were SAENTA [5'-S-(2-aminoethyl)-N6-(4-nitrobenzyl)-5'-thioadenosine] and acetyl-SAENTA (the 2-acetamidoethyl derivative of SAENTA). SAENTA was coupled to derivatized agarose-gel beads (Affi-Gel 10) to form an affinity matrix for chromatographic purification of NBMPR-binding polypeptides, which in pig erythrocytes are part of, or are associated with, the equilibrative nucleoside transporter. When pig erythrocyte membranes were solubilized with octyl glucoside (n-octyl beta-D-glucopyranoside) and applied to SAENTA-Affi-Gel 10 (SAENTA-AG10), polypeptides that migrated as a broad band on SDS/PAGE with an apparent molecular mass of 58-60 kDa were selectively retained by the affinity gel. These polypeptides were identified as components of the nucleoside transporter of pig erythrocytes by reactivity with a monoclonal antibody (mAb 11C4) that recognizes the NBMPR-binding protein of pig erythrocytes. Retention of the immunoreactive polypeptides by SAENTA-AG10 was blocked by NBAdo. The immunoreactive polypeptides were released from SAENTA-AG10 by elution under denaturing conditions with 1% SDS or by elution with detergent solutions containing competitive ligands (NBAdo or NBMPR). A 72-fold enrichment of the immunoreactive polypeptides was achieved by a single passage of solubilized, protein-depleted membranes through a column of SAENTA-AG10, followed by elution with detergent solutions containing NBAdo. These results demonstrate that polypeptide components of NBMPR-sensitive nucleoside-transport systems may be partly purified by affinity chromatography using gel media bearing SAENTA groups. Images Fig. 5. Fig. 6. Fig. 7. PMID:2241896

  3. 6-(4'-Aryloxy-phenyl)vinyl-1,2,4-trioxanes: a new series of orally active peroxides effective against multidrug-resistant Plasmodium yoelii in Swiss mice.

    PubMed

    Singh, Chandan; Verma, Ved Prakash; Naikade, Niraj Krishna; Singh, Ajit Shankar; Hassam, Mohammad; Puri, Sunil K

    2010-08-01

    A new series of 6-(4'-aryloxy-phenyl)vinyl-1,2,4-trioxanes 10a-d, 11a-d, and 12a-d have been synthesized and evaluated for their antimalarial activity against multidrug-resistant Plasmodium yoelii in Swiss mice by oral route. Trioxanes 10b and 10c, the two most active compounds of the series, provided 100% protection to the infected mice at 48 mg/kg x 4 days. Clinically useful drug beta-arteether provided 100% and 20% protection at 48 mg/kg x 4 days and 24 mg/kg x 4 days, respectively, in this model. PMID:20598529

  4. Plenum type crystal growth process

    DOEpatents

    Montgomery, Kenneth E.

    1992-01-01

    Crystals are grown in a tank which is divided by a baffle into a crystal growth region above the baffle and a plenum region below the baffle. A turbine blade or stirring wheel is positioned in a turbine tube which extends through the baffle to generate a flow of solution from the crystal growing region to the plenum region. The solution is pressurized as it flows into the plenum region. The pressurized solution flows back to the crystal growing region through return flow tubes extending through the baffle. Growing crystals are positioned near the ends of the return flow tubes to receive a direct flow of solution.

  5. Protein Crystals Grown in Space

    NASA Technical Reports Server (NTRS)

    2000-01-01

    A collage of protein and virus crystals, many of which were grown on the U.S. Space Shuttle or Russian Space Station, Mir. The crystals include the proteins canavalin; mouse monoclonal antibody; a sweet protein, thaumatin; and a fungal protease. Viruses are represented here by crystals of turnip yellow mosaic virus and satellite tobacco mosaic virus. The crystals are photographed under polarized light (thus causing the colors) and range in size from a few hundred microns in edge length up to more than a millimeter. All the crystals are grown from aqueous solutions and are useful for X-ray diffraction analysis. Credit: Dr. Alex McPherson, University of California, Irvine.

  6. CRYSTAL/FACE

    NASA Technical Reports Server (NTRS)

    Baumgardner, Darrel; Kok, Greg; Anderson, Bruce

    2004-01-01

    Droplet Measurement Technologies (DMT), under funding from NASA, participated in the CRYSTAL/FACE field campaign in July, 2002 with measurements of cirrus cloud hydrometeors in the size range from 0.5 to 1600 microns. The measurements were made with the DMT Cloud, Aerosol and Precipitation Spectrometer (CAPS) that was flown on NASA's WB57F. With the exception of the first research flight when the data system failed two hours into the mission, the measurement system performed almost flawlessly during the thirteen flights. The measurements from the CAPS have been essential for interpretation of cirrus cloud properties and their impact on climate. The CAPS data set has been used extensively by the CRYSTAL/FACE investigators and as of the date of this report, have been included in five published research articles, 10 conference presentations and six other journal articles currently in preparation.

  7. Graphite Polyhedral Crystals

    NASA Astrophysics Data System (ADS)

    Gogotsi, Yury; Libera, Joseph A.; Kalashnikov, Nikolay; Yoshimura, Masahiro

    2000-10-01

    Polyhedral nano- and microstructures with shapes of faceted needles, rods, rings, barrels, and double-tipped pyramids, which we call graphite polyhedral crystals (GPCs), have been discovered. They were found in pores of glassy carbon. They have nanotube cores and graphite faces, and they can exhibit unusual sevenfold, ninefold, or more complex axial symmetry. Although some are giant radially extended nanotubes, Raman spectroscopy and transmission electron microscopy suggest GPCs have a degree of perfection higher than in multiwall nanotubes of similar size. The crystals are up to 1 micrometer in cross section and 5 micrometers in length, and they can probably be grown in much larger sizes. Preliminary results suggest a high electrical conductivity, strength, and chemical stability of GPC.

  8. Macromolecular crystal growing system

    NASA Technical Reports Server (NTRS)

    Snyder, Robert S. (Inventor); Herren, Blair J. (Inventor); Carter, Daniel C. (Inventor); Yost, Vaughn H. (Inventor); Bugg, Charles E. (Inventor); Delucas, Lawrence J. (Inventor); Suddath, Fred L. (Inventor)

    1991-01-01

    A macromolecular crystal growing system especially designed for growing crystals in the low gravity of space as well as the gravity of earth includes at least one tray assembly, a carrier assembly which receives the tray, and a refrigeration-incubation module in which the carrier assembly is received. The tray assembly includes a plurality of sealed chambers with a plastic syringe and a plug means for the double tip of the syringe provided therein. Ganging mechanisms operate the syringes and plugs simultaneously in a precise and smooth operation. Preferably, the tray assemblies are mounted on ball bearing slides for smooth operation in inserting and removing the tray assemblies into the carrier assembly. The plugging mechanism also includes a loading control mechanism. A mechanism for leaving a syringe unplugged is also provided.

  9. Twisted aspirin crystals.

    PubMed

    Cui, Xiaoyan; Rohl, Andrew L; Shtukenberg, Alexander; Kahr, Bart

    2013-03-01

    Banded spherulites of aspirin have been crystallized from the melt in the presence of salicylic acid either generated from aspirin decomposition or added deliberately (2.6-35.9 mol %). Scanning electron microscopy, X-ray diffraction analysis, and optical polarimetry show that the spherulites are composed of helicoidal crystallites twisted along the <010> growth directions. Mueller matrix imaging reveals radial oscillations in not only linear birefringence, but also circular birefringence, whose origin is explained through slight (∼1.3°) but systematic splaying of individual lamellae in the film. Strain associated with the replacement of aspirin molecules by salicylic acid molecules in the crystal structure is computed to be large enough to work as the driving force for the twisting of crystallites. PMID:23425247

  10. Surrogate Seeds For Growth Of Crystals

    NASA Technical Reports Server (NTRS)

    Shlichta, Paul J.

    1989-01-01

    Larger crystals of higher quality grown. Alternative method for starting growth of crystal involves use of seed crystal of different material instead of same material as solution. Intended for growing single-crystal proteins for experiments but applicable in general to growth of crystals from solutions and to growth of semiconductor or other crystals from melts.

  11. Slotted photonic crystal biosensors

    NASA Astrophysics Data System (ADS)

    Scullion, Mark Gerard

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them result in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This thesis presents a new platform for optical biosensors, namely slotted photonic crystals, which engender higher sensitivities due to their ability to confine, spatially and temporally, the peak of optical mode within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. High sensitivities were observed in smaller structures than most competing devices in the literature. Initial tests with cellular material for real applications was also performed, and shown to be of promise. In addition, groundwork to make an integrated device that includes the spectrometer function was also carried out showing that slotted photonic crystals themselves can be used for on-chip wavelength specific filtering and spectroscopy, whilst gas-free microvalves for automation were also developed. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study.

  12. Path to protein crystallization

    SciTech Connect

    2010-01-01

    Growth of two-dimensional S-layer crystals on supported lipid bilayers observed in solution using in situ atomic force microscopy. This movie shows proteins sticking onto the supported lipid bilayer, forming a mobile phase that condenses into amorphous clusters, and undergoing a phase transition to crystalline clusters composed of 2 to 15 tetramers. These initial clusters then enter a growth phase in which new tetramers form exclusively at unoccupied lattice sites along the cluster edges.

  13. Hydrophobic photonic crystal fibers.

    PubMed

    Xiao, Limin; Birks, T A; Loh, W H

    2011-12-01

    We propose and demonstrate hydrophobic photonic crystal fibers (PCFs). A chemical surface treatment for making PCFs hydrophobic is introduced. This repels water from the holes of PCFs, so that their optical properties remain unchanged even when they are immersed in water. The combination of a hollow core and a water-repellent inner surface of the hydrophobic PCF provides an ultracompact dissolved-gas sensor element, which is demonstrated for the sensing of dissolved ammonia gas. PMID:22139276

  14. Protein Crystal Isocitrate Lyase

    NASA Technical Reports Server (NTRS)

    1998-01-01

    The comparison of protein crystal, Isocitrate Lyase earth-grown (left) and space-grown (right). This is a target enzyme for fungicides. A better understanding of this enzyme should lead to the discovery of more potent fungicides to treat serious crop diseases such as rice blast; it regulates the flow of metabolic intermediates required for cell growth. Principal Investigator is Larry DeLucas.

  15. Nematic liquid crystal bridges

    NASA Astrophysics Data System (ADS)

    Doss, Susannah; Ellis, Perry; Vallamkondu, Jayalakshmi; Danemiller, Edward; Vernon, Mark; Fernandez-Nieves, Alberto

    We study the effects of confining a nematic liquid crystal between two parallel glass plates with homeotropic boundary conditions for the director at all bounding surfaces. We find that the free surface of the nematic bridge is a surface of constant mean curvature. In addition, by changing the distance between the plates and the contact angle with the glass plates, we transition between loops and hedgehogs that can be either radial or hyperbolic.

  16. The Crystal Set

    NASA Astrophysics Data System (ADS)

    Greenslade, Thomas B.

    2014-04-01

    In past issues of this journal, the late H. R. Crane wrote a long series of articles under the running title of "How Things Work." In them, Dick dealt with many questions that physics teachers asked themselves, but did not have the time to answer. This article is my attempt to work through the physics of the crystal set, which I thought I knew, but actually did not.

  17. High density protein crystal growth

    NASA Technical Reports Server (NTRS)

    Rouleau, Robyn (Inventor); Delucas, Lawrence (Inventor); Hedden, Douglas Keith (Inventor)

    2004-01-01

    A protein crystal growth assembly including a crystal growth cell and further including a cell body having a top side and a bottom side and a first aperture defined therethrough, the cell body having opposing first and second sides and a second aperture defined therethrough. A cell barrel is disposed within the cell body, the cell barrel defining a cavity alignable with the first aperture of the cell body, the cell barrel being rotatable within the second aperture. A reservoir is coupled to the bottom side of the cell body and a cap having a top side is disposed on the top side of the cell body. The protein crystal growth assembly may be employed in methods including vapor diffusion crystallization, liquid to liquid crystallization, batch crystallization, and temperature induction batch mode crystallization.

  18. Manipulating crystallization with molecular additives.

    PubMed

    Shtukenberg, Alexander G; Lee, Stephanie S; Kahr, Bart; Ward, Michael D

    2014-01-01

    Given the importance of organic crystals in a wide range of industrial applications, the chemistry, biology, materials science, and chemical engineering communities have focused considerable attention on developing methods to control crystal structure, size, shape, and orientation. Tailored additives have been used to control crystallization to great effect, presumably by selectively binding to particular crystallographic surfaces and sites. However, substantial knowledge gaps still exist in the fundamental mechanisms that govern the formation and growth of organic crystals in both the absence and presence of additives. In this review, we highlight research discoveries that reveal the role of additives, either introduced by design or present adventitiously, on various stages of formation and growth of organic crystals, including nucleation, dislocation spiral growth mechanisms, growth inhibition, and nonclassical crystal morphologies. The insights from these investigations and others of their kind are likely to guide the development of innovative methods to manipulate crystallization for a wide range of materials and applications. PMID:24579880

  19. Quartz crystal fabrication facility

    NASA Astrophysics Data System (ADS)

    Ney, R. J.

    1980-05-01

    The report describes the design and operation of a five chamber, interconnected vacuum system, which is capable of cleaning, plating, and sealing precision quartz crystal units in ceramic flatpack enclosures continuously in a high vacuum environment. The production rate design goal was 200 units per eight hour day. A unique nozzle beam gold deposition source was developed to operate for extended periods of time without reloading. The source puts out a narrow beam of gold typically in the order of 2 1/2 deg included cone angle. Maximum deposition rates are in the order of 400 a/min at 5.5 in. 'throw' distance used. Entrance and exit air lock chambers expedite the material throughput, so that the processing chambers are at high vacuum for extended periods of time. A stainless steel conveyor belt, in conjunction with three vacuum manipulators, transport the resonator components to the various work stations. Individual chambers are normally separated from each other by gate valves. The crystal resonators, mounted in flatpack frames but unplated, are loaded into transport trays in a lid-frame-lid sequency for insertion into the system and exit as completed crystal units. The system utilizes molybdenum coated ball bearings at essentially all friction surfaces. The gold sources and plating mask heads are equipped with elevators and gate valves, so that they can be removed from the system for maintenance without exposing the chambers to atmosphere.

  20. Living liquid crystals.

    PubMed

    Zhou, Shuang; Sokolov, Andrey; Lavrentovich, Oleg D; Aranson, Igor S

    2014-01-28

    Collective motion of self-propelled organisms or synthetic particles, often termed "active fluid," has attracted enormous attention in the broad scientific community because of its fundamentally nonequilibrium nature. Energy input and interactions among the moving units and the medium lead to complex dynamics. Here, we introduce a class of active matter--living liquid crystals (LLCs)--that combines living swimming bacteria with a lyotropic liquid crystal. The physical properties of LLCs can be controlled by the amount of oxygen available to bacteria, by concentration of ingredients, or by temperature. Our studies reveal a wealth of intriguing dynamic phenomena, caused by the coupling between the activity-triggered flow and long-range orientational order of the medium. Among these are (i) nonlinear trajectories of bacterial motion guided by nonuniform director, (ii) local melting of the liquid crystal caused by the bacteria-produced shear flows, (iii) activity-triggered transition from a nonflowing uniform state into a flowing one-dimensional periodic pattern and its evolution into a turbulent array of topological defects, and (iv) birefringence-enabled visualization of microflow generated by the nanometers-thick bacterial flagella. Unlike their isotropic counterpart, the LLCs show collective dynamic effects at very low volume fraction of bacteria, on the order of 0.2%. Our work suggests an unorthodox design concept to control and manipulate the dynamic behavior of soft active matter and opens the door for potential biosensing and biomedical applications. PMID:24474746

  1. Slotted photonic crystal sensors.

    PubMed

    Scullion, Mark G; Krauss, Thomas F; Di Falco, Andrea

    2013-01-01

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them results in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This review article presents a new platform for optical biosensors, namely slotted photonic crystals, which provide higher sensitivities due to their ability to confine, spatially and temporally, the optical mode peak within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. Higher sensitivities were observed in smaller structures than possible with most competing devices reported in the literature. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study. PMID:23503295

  2. Slotted Photonic Crystal Sensors

    PubMed Central

    Scullion, Mark G.; Krauss, Thomas F.; Di Falco, Andrea

    2013-01-01

    Optical biosensors are increasingly being considered for lab-on-a-chip applications due to their benefits such as small size, biocompatibility, passive behaviour and lack of the need for fluorescent labels. The light guiding mechanisms used by many of them results in poor overlap of the optical field with the target molecules, reducing the maximum sensitivity achievable. This review article presents a new platform for optical biosensors, namely slotted photonic crystals, which provide higher sensitivities due to their ability to confine, spatially and temporally, the optical mode peak within the analyte itself. Loss measurements showed values comparable to standard photonic crystals, confirming their ability to be used in real devices. A novel resonant coupler was designed, simulated, and experimentally tested, and was found to perform better than other solutions within the literature. Combining with cavities, microfluidics and biological functionalization allowed proof-of-principle demonstrations of protein binding to be carried out. Higher sensitivities were observed in smaller structures than possible with most competing devices reported in the literature. This body of work presents slotted photonic crystals as a realistic platform for complete on-chip biosensing; addressing key design, performance and application issues, whilst also opening up exciting new ideas for future study. PMID:23503295

  3. Living liquid crystals

    PubMed Central

    Zhou, Shuang; Sokolov, Andrey; Lavrentovich, Oleg D.; Aranson, Igor S.

    2014-01-01

    Collective motion of self-propelled organisms or synthetic particles, often termed “active fluid,” has attracted enormous attention in the broad scientific community because of its fundamentally nonequilibrium nature. Energy input and interactions among the moving units and the medium lead to complex dynamics. Here, we introduce a class of active matter––living liquid crystals (LLCs)––that combines living swimming bacteria with a lyotropic liquid crystal. The physical properties of LLCs can be controlled by the amount of oxygen available to bacteria, by concentration of ingredients, or by temperature. Our studies reveal a wealth of intriguing dynamic phenomena, caused by the coupling between the activity-triggered flow and long-range orientational order of the medium. Among these are (i) nonlinear trajectories of bacterial motion guided by nonuniform director, (ii) local melting of the liquid crystal caused by the bacteria-produced shear flows, (iii) activity-triggered transition from a nonflowing uniform state into a flowing one-dimensional periodic pattern and its evolution into a turbulent array of topological defects, and (iv) birefringence-enabled visualization of microflow generated by the nanometers-thick bacterial flagella. Unlike their isotropic counterpart, the LLCs show collective dynamic effects at very low volume fraction of bacteria, on the order of 0.2%. Our work suggests an unorthodox design concept to control and manipulate the dynamic behavior of soft active matter and opens the door for potential biosensing and biomedical applications. PMID:24474746

  4. Photonic Crystal Nanocavity Lasers

    NASA Astrophysics Data System (ADS)

    Scherer, Axel

    2001-03-01

    Two- and three-dimensional microfabricated mirrors are generally referred to as photonic bandgap (PBG) crystals, and can be lithographically constructed to match a given frequency to confine light to very small volumes.1 For mirrors matching light emission at 1550nm, the lattice parameter a should correspond to 500nm, and the radius of the holes should be 180nm. By combining the slab waveguide design from microdisk lasers with the concept of microfabricating Bragg reflectors around a 2-D Fabry-Perot structure, we arrive at the design for ultra-small sub-3 optical nanocavity photonic crystal lasers. The mode volume in these laser cavities can be as small as 2.5 cubic half wavelengths or 0.03m3, and spontaneous emission in the cavity can be very efficiently coupled into the lasing mode. This efficient coupling in turn results in significant advantages of these nanocavity lasers over devices with larger mode volumes, as high modulation speed and very low threshold power light emission are expected. If the photonic crystal is designed appropriately and is not too porous, it is also possible to efficiently guide light within the perforated slab and to minimize diffraction losses. This waveguiding within a photonic crystal provides us with an opportunity to couple light from one cavity to another, or into connecting waveguides. By creating two-dimensional photonic crystals, which are microfabricated into InGaAsP slabs, we have recently defined the smallest lasers to date. When combined with high index contrast slabs in which light can be efficiently guided, microfabricated two-dimensional photonic bandgap mirrors provide the geometries needed to confine light into extremely small volumes with high Q.1,2,3,4 Two-dimensional Fabry-Perot resonators with microfabricated mirrors are formed when defects are introduced into the periodic photonic bandgap structure. It is then possible to tune these cavities lithographically by changing the precise geometry of the microstructures

  5. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals

    SciTech Connect

    Tai, C.Y.; Chen, P.C.

    1995-04-01

    Flue gas desulfurization (FGD) processes are most commonly utilized to remove sulfur dioxide from stack gases of coal- or oil-fired plants. In the simple slurry technology, SO{sub 2} is absorbed by a slurry of lime/limestone to form calcium sulfite crystals of acicular habit and its strong agglomeration, requiring large clarifiers and filters to dewater the sludge to make an acceptable landfill. Crystal growth and agglomeration of calcium sulfite hemihydrate crystals from solution were studied by reacting Ca(OH){sub 2} with NaHSO{sub 3} in a pH-stat semibatch crystallizer. Single platelet crystals and agglomerates of platelet crystals were produced in the pH range from 5.80 to 6.80. The crystallization mechanism changed from primary nucleation to crystal growth in the progressive precipitation. Using the titration curves, the growth rate was calculated from the titration rate at the final stage of operation. The crystal growth rates of calcium sulfate hemihydrate crystals were found to obey the parabolic rate law in the low supersaturation range. Another point to be noted is that the precipitates of calcium sulfite hemihydrate in agitated suspensions have a tendency to form agglomerates. It was found that the degree of agglomeration is a weak function of relative supersaturation and magma density, while the pH value is a key factor that affects the degree of agglomeration. Addition of EDTA also has an effect on the agglomeration of calcium sulfite hemihydrates.

  6. On dewetting of thin films due to crystallization (crystallization dewetting).

    PubMed

    Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza

    2016-03-01

    Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting. PMID:26993991

  7. Discrete breathers in crystals

    NASA Astrophysics Data System (ADS)

    Dmitriev, S. V.; Korznikova, E. A.; Baimova, Yu A.; Velarde, M. G.

    2016-05-01

    It is well known that periodic discrete defect-containing systems, in addition to traveling waves, support vibrational defect-localized modes. It turned out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Since the nodes of the system are all on equal footing, it is only through the special choice of initial conditions that a group of nodes can be found on which such a mode, called a discrete breather (DB), will be excited. The DB frequency must be outside the frequency range of the small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically conserve its vibrational energy forever provided no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery in them of DBs was only a matter of time. It is well known that periodic discrete defect-containing systems support both traveling waves and vibrational defect-localized modes. It turns out that if a periodic discrete system is nonlinear, it can support spatially localized vibrational modes as exact solutions even in the absence of defects. Because the nodes of the system are all on equal footing, only a special choice of the initial conditions allows selecting a group of nodes on which such a mode, called a discrete breather (DB), can be excited. The DB frequency must be outside the frequency range of small-amplitude traveling waves. Not resonating with and expending no energy on the excitation of traveling waves, a DB can theoretically preserve its vibrational energy forever if no thermal vibrations or other perturbations are present. Crystals are nonlinear discrete systems, and the discovery of DBs in them was only a matter of time. Experimental studies of DBs encounter major technical difficulties, leaving atomistic computer simulations as the primary investigation tool. Despite

  8. The Crystallization of Canavalin as a Function of pH and NaCl Concentration

    NASA Technical Reports Server (NTRS)

    Forsythe, Elizabeth L.; Gorti, Sridhar; Pusey, Marc L.

    2004-01-01

    We posed the question of what happens to a protein that is known to grow as an n-mer when it is placed in solution conditions where it is monomeric. The trypsin-treated, or cut, form of the protein canavalin (CCAN) has been shown to nucleate and grow crystals as a trimer from neutral to slightly acidic solutions. Under these conditions the solution is composed almost wholly of trimers. The crystalline protein can be readily dissolved by weakly basic solution, which has been proposed to result in a solution that is monomeric. There are three possible outcomes to an attempt at crystallization of the protein under monomeric (high pH) conditions: 1) we will obtain the same crystals as under trimer conditions, but at different protein concentrations governed by the self association equilibria; 2) we will obtain crystals having a different symmetry, based upon a monomeric growth unit; 3) we will not obtain crystals. Obtaining the first result would be indicative that the solution-phase self-association process is critical to the crystal nucleation and growth process. The second result would be less clear, as it may also reflect a pH-dependent shift in the trimer-trimer molecular interactions. The third result, particularly for experiments in the transition pH's between trimeric and monomeric CCAN, would indicate that the monomer does not crystallize, and that solution phase self association is not part of the crystal nucleation and growth path. Results are presented for crystallization experiments of CCAN over the pH 6.4 to 9.6 range. Fluorescence anisotropy, light scattering, and gel filtration experiments show that the solutions are primarily trimers, with association to form larger species occurring as a function of protein concentration.

  9. Performance of cryogenically cooled, high-heat-load silicon crystal monochromators with porous media augmentation

    SciTech Connect

    Rogers, C.S.; Mills, D.M.; Assoufid, L.; Graber, T.

    1996-09-01

    The performance of two Si crystal x-ray monochromators internally cooled with liquid nitrogen was tested on the F2-wiggler beamline at the Cornell High Energy Synchrotron Source (CHESS). Both crystals were (111)-oriented blocks of rectangular cross section having identical dimensions. Seven 6.4-mm-diameter coolant channels were drilled through the crystals along the beam direction. In one of the crystals, porous Cu mesh inserts were bonded into the channels to enhance the heat transfer. The channels of the second crystal were left as drilled. Symmetric, double-crystal rocking curves were recorded simultaneously for both the first and third order reflections at 8 and 24 keV. The power load on the cooled crystal was adjusted by varying the horizontal beam size using slits. The measured Si(333) rocking curve of the unenhanced crystal at 24 keV at low power was 1.9 arcsec FWHM. The theoretical width is 0.63 arcsec. The difference is due to residual fabrication and mounting strain. For a maximum incident power of 601 W and an average power density of about 10 W/mm{sup 2}, the rocking curve was 2.7 arcsec. The rocking curve width for the enhanced crystal at low power was 2.4 arcsec. At a maximum incident power of 1803 W and an average power density of about 19 W/mm{sup 2}, the rocking curve width was 2.2 arcsec FWHM. The use of porous mesh augmentation is a simple, but very effective, means to improve the performance of cryogenically cooled Si monochromators exposed to high power x-ray beams. {copyright} {ital 1996 American Institute of Physics.}

  10. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering.

    PubMed

    Liu, L H; Yang, C; Kang, L M; Qu, S G; Li, X Q; Zhang, W W; Chen, W P; Li, Y Y; Li, P J; Zhang, L C

    2016-01-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications. PMID:27029858

  11. High antiallergic activity of 5,6,4'-trihydroxy-7,8,3'-trimethoxyflavone and 5,6-dihydroxy-7,8,3',4'-tetramethoxyflavone from eau de cologne mint (Mentha×piperita citrata).

    PubMed

    Sato, Akihiko; Tamura, Hirotoshi

    2015-04-01

    The following compounds with higher antiallergic activities were isolated from eau de cologne mint leaves: 5,6,4'-trihydroxy-7,8-dimethoxyflavone (6), 5,6,4'-trihydroxy-7,8,3'-trimethoxyflavone (7), 5,6-dihydroxy-7,3',4'-trimethoxyflavone (8), 5,6-dihydroxy-7,8,3',4'-tetramethoxyflavone (9), and 5,6-dihydroxy-7,8,4'-trimethoxyflavone (10). The IC50 values of compounds 6-10 against RBL-2H3 cells were 6.7, 2.4, 5.6, 3.0, and 6.1μM. Compounds 7 and 9 (IC50 2.4μM and 3.0μM) had the highest antiallergic activities among the flavonoids previously reported. The amounts of 7, 9, and 10 isolated were fairly high, at 177.7mg/kg, 278.0mg/kg, and 179.7mg/kg in the mint, respectively. LD5 value (index of toxicity) and LD5/IC50 ratio of 7 and 9 indicate that the safety is greater than that of luteolin, a typical antiallergic substance. The extract containing powerful antiallergic flavones, 6-10 with higher hydrophobicity could be selectively separated from the extract containing luteolin and other flavonoid glycosides by partition with dichloromethane and water. Therefore, compounds 7 and 9 in mint, and the dichloromethane extract would be the most potent and preventive resources against type I allergy. PMID:25704366

  12. A microporous metal-organic framework containing an exceptional four-connecting 4(2)6(4) topology and a combined effect for highly selective adsorption of CO2 over N2.

    PubMed

    Qin, Yuan-cheng; Feng, Xue-feng; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan

    2013-01-01

    Reported here is a new microporous metal-organic framework, namely [Zn(2)(L)(btc)(Hbtc)] [NH(2)(CH(3))(2)]·(DMF)(2)(H(2)O)(4) (1), which is synthesized solvo(hydro)thermally by the self-assembly of Zn(NO(3))(2), N(4),N(4)-di(pyridin-3-yl)-[1,1'-biphenyl]-4,4'-dicarboxamide (L) and 1,3,5-benzenetricarboxylate acid (H(3)btc). Its topology can be described as a four-connecting 4(2)6(4) matrix containing both tetrahedral metal and ligand nodes. Interestingly, such a matrix has the same topology symbol as that observed in the well known sodalite (SOD) net, but the td10 of 434 is different from the td10 of 791 for the SOD net, indicative of an exceptional four-connecting 4(2)6(4) net. Another outstanding point is the highly selective adsorption of CO(2) over N(2), possibly contributed by a combined effect from the charged skeleton, the existence of functional groups of -CONH- and -COOH in 1. PMID:23108437

  13. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    PubMed Central

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-01-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications. PMID:27029858

  14. A new insight into high-strength Ti62Nb12.2Fe13.6Co6.4Al5.8 alloys with bimodal microstructure fabricated by semi-solid sintering

    NASA Astrophysics Data System (ADS)

    Liu, L. H.; Yang, C.; Kang, L. M.; Qu, S. G.; Li, X. Q.; Zhang, W. W.; Chen, W. P.; Li, Y. Y.; Li, P. J.; Zhang, L. C.

    2016-03-01

    It is well known that semi-solid forming could only obtain coarse-grained microstructure in a few alloy systems with a low melting point, such as aluminum and magnesium alloys. This work presents that semi-solid forming could also produce novel bimodal microstructure composed of nanostructured matrix and micro-sized (CoFe)Ti2 twins in a titanium alloy, Ti62Nb12.2Fe13.6Co6.4Al5.8. The semi-solid sintering induced by eutectic transformation to form a bimodal microstructure in Ti62Nb12.2Fe13.6Co6.4Al5.8 alloy is a fundamentally different approach from other known methods. The fabricated alloy exhibits high yield strength of 1790 MPa and plastic strain of 15.5%. The novel idea provides a new insight into obtaining nano-grain or bimodal microstructure in alloy systems with high melting point by semi-solid forming and into fabricating high-performance metallic alloys in structural applications.

  15. Functionalizing Designer DNA Crystals

    NASA Astrophysics Data System (ADS)

    Chandrasekaran, Arun Richard

    Three-dimensional crystals have been self-assembled from a DNA tensegrity triangle via sticky end interaction. The tensegrity triangle is a rigid DNA motif containing three double helical edges connected pair-wise by three four-arm junctions. The symmetric triangle contains 3 unique strands combined in a 3:3:1 ratio: 3 crossover, 3 helical and 1 central. The length of the sticky end reported previously was two nucleotides (nt) (GA:TC) and the motif with 2-helical turns of DNA per edge diffracted to 4.9 A at beam line NSLS-X25 and to 4 A at beam line ID19 at APS. The purpose of these self-assembled DNA crystals is that they can be used as a framework for hosting external guests for use in crystallographic structure solving or the periodic positioning of molecules for nanoelectronics. This thesis describes strategies to improve the resolution and to incorporate guests into the 3D lattice. The first chapter describes the effect of varying sticky end lengths and the influence of 5'-phosphate addition on crystal formation and resolution. X-ray diffraction data from beam line NSLS-X25 revealed that the crystal resolution for 1-nt (G:C) sticky end was 3.4 A. Motifs with every possible combination of 1-nt and 2-nt sticky-ended phosphorylated strands were crystallized and X-ray data were collected. The position of the 5'-phosphate on either the crossover (strand 1), helical (strand 2), or central strand (3) had an impact on the resolution of the self-assembled crystals with the 1-nt 1P-2-3 system diffracting to 2.62 A at APS and 3.1 A at NSLS-X25. The second chapter describes the sequence-specific recognition of DNA motifs with triplex-forming oligonucleotides (TFOs). This study examined the feasibility of using TFOs to bind to specific locations within a 3-turn DNA tensegrity triangle motif. The TFO 5'-TTCTTTCTTCTCT was used to target the tensegrity motif containing an appropriately embedded oligopurine.oligopyrimidine binding site. As triplex formation involving cytidine

  16. Unifying the crystallization behavior of hexagonal and square crystals with the phase-field-crystal model

    NASA Astrophysics Data System (ADS)

    Tao, Yang; Zheng, Chen; Jing, Zhang; Yongxin, Wang; Yanli, Lu

    2016-03-01

    By employing the phase-field-crystal models, the atomic crystallization process of hexagonal and square crystals is investigated with the emphasis on the growth mechanism and morphological change. A unified regime describing the crystallization behavior of both crystals is obtained with the thermodynamic driving force varying. By increasing the driving force, both crystals (in the steady-state) transform from a faceted polygon to an apex-bulged polygon, and then into a symmetric dendrite. For the faceted polygon, the interface advances by a layer-by-layer (LL) mode while for the apex-bulged polygonal and the dendritic crystals, it first adopts the LL mode and then transits into the multi-layer (ML) mode in the later stage. In particular, a shift of the nucleation sites from the face center to the area around the crystal tips is detected in the early growth stage of both crystals and is rationalized in terms of the relation between the crystal size and the driving force distribution. Finally, a parameter characterizing the complex shape change of square crystal is introduced. Project supported by the National Natural Science Foundation of China (Grant Nos. 54175378, 51474176, and 51274167), the Natural Science Foundation of Shaanxi Province, China (Grant No. 2014JM7261), and the Doctoral Foundation Program of Ministry of China (Grant No. 20136102120021).

  17. Crystallization Optimum Solubility Screening: using crystallization results to identify the optimal buffer for protein crystal formation

    SciTech Connect

    Collins, Bernard; Stevens, Raymond C.; Page, Rebecca

    2005-12-01

    It is shown how protein crystallization results can be used to identify buffers that improve protein solubility and, in turn, crystallization success. An optimal solubility screen is described that uses the results of crystallization trials to identify buffers that improve protein solubility and, in turn, crystallization success. This screen is useful not only for standard crystallization experiments, but also can easily be implemented into any high-throughput structure-determination pipeline. As a proof of principle, the predicted novel-fold protein AF2059 from Archaeoglobus fulgidus, which was known to precipitate in most buffers and particularly during concentration experiments, was selected. Using the crystallization results of 192 independent crystallization trials, it was possible to identify a buffer containing 100 mM CHES pH 9.25 that significantly improves its solubility. After transferring AF2059 into this ‘optimum-solubility’ buffer, the protein was rescreened for crystal formation against these same 192 conditions. Instead of extensive precipitation, as observed initially, it was found that 24 separate conditions produced crystals and the exchange of AF2059 into CHES buffer significantly improved crystallization success. Fine-screen optimization of these conditions led to the production of a crystal suitable for high-resolution (2.2 Å) structure determination.

  18. Crystallization with oils: a new dimension in macromolecular crystal growth

    NASA Astrophysics Data System (ADS)

    Chayen, Naomi E.

    1999-01-01

    The crystal growth of biological macromolecules is a complicated process involving numerous parameters. This paper presents an approach which employs the use of oil as a major aid to crystal growth, and which has opened up a new dimension in the field of macromolecular crystallization. The presence of oil is a parameter which can contribute to the accuracy, the cleanliness and to the increase in the reproducibility of the experiments. Furthermore, the oil has a role in the protection of the trials during the course of their duration and in maintaining the stability of the resulting crystals. The use of oil also applies to the crystallization of membrane proteins. The results of a wide range of experiments which exploit the presence of oil to abet macromolecular crystal growth using both vapour diffusion and microbatch are presented.

  19. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Technical Reports Server (NTRS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S.; Kolokolova, Ludmilla

    2015-01-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 < or = fcrystal < or = 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 microns, 16, 19, 23.5, 27, and 33 microns), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 micron-radii porous aggregates with 0.13 < or = fcrystal < or = 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale- Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11micron and 23 micron crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial

  20. Dynamically controlled crystallization method and apparatus and crystals obtained thereby

    NASA Technical Reports Server (NTRS)

    Arnowitz, Leonard (Inventor); Steinberg, Emanuel (Inventor)

    2003-01-01

    A method and apparatus for dynamically controlling the crystallization of molecules including a crystallization chamber (14) or chambers for holding molecules in a precipitant solution, one or more precipitant solution reservoirs (16, 18), communication passages (17, 19) respectively coupling the crystallization chamber(s) with each of the precipitant solution reservoirs, and transfer mechanisms (20, 21, 22, 24, 26, 28) configured to respectively transfer precipitant solution between each of the precipitant solution reservoirs and the crystallization chamber(s). The transfer mechanisms are interlocked to maintain a constant volume of precipitant solution in the crystallization chamber(s). Precipitant solutions of different concentrations are transferred into and out of the crystallization chamber(s) to adjust the concentration of precipitant in the crystallization chamber(s) to achieve precise control of the crystallization process. The method and apparatus can be used effectively to grow crystals under reduced gravity conditions such as microgravity conditions of space, and under conditions of reduced or enhanced effective gravity as induced by a powerful magnetic field.

  1. Adhesion of single crystals on modified surfaces in crystallization fouling

    NASA Astrophysics Data System (ADS)

    Mayer, Moriz; Augustin, Wolfgang; Scholl, Stephan

    2012-12-01

    In crystallization fouling it has been observed that during a certain initial phase the fouling is formed by a non-uniform layer consisting of a population of single crystals. These single crystals are frequently formed by inverse soluble salts such as CaCO3. During heterogeneous nucleation and heterogeneous growth an interfacial area between the crystal and the heat transfer surface occurs. The development of this interfacial area is the reason for the adhesion of each single crystal and of all individual crystals, once a uniform layer has been built up. The emerging interfacial area is intrinsic to the heterogeneous nucleation of crystals and can be explained by the thermodynamic principle of the minimum of the Gibbs free energy. In this study CaCO3 crystals were grown heterogeneously on untreated and on modified surfaces inside a flow channel. An untreated stainless steel (AISI 304) surface was used as a reference. Following surface modifications were investigated: enameled and electropolished stainless steel as well as diamond-like-carbon based coatings on stainless steel substrate. The adhesion was measured through a novel measurement technique using a micromanipulator to shear off single crystals from the substrate which was fixed to a spring table inside a SEM.

  2. Antiferromagnetic magnonic crystals

    NASA Astrophysics Data System (ADS)

    Troncoso, Roberto E.; Ulloa, Camilo; Pesce, Felipe; Nunez, A. S.

    2015-12-01

    We describe the features of magnonic crystals based upon antiferromagnetic elements. Our main results are that with a periodic modulation of either magnetic fields or system characteristics, such as the anisotropy, it is possible to tailor the spin-wave spectra of antiferromagnetic systems into a band-like organization that displays a segregation of allowed and forbidden bands. The main features of the band structure, such as bandwidths and band gaps, can be readily manipulated. Our results provide a natural link between two steadily growing fields of spintronics: antiferromagnetic spintronics and magnonics.

  3. Electrohydrodynamically patterned colloidal crystals

    NASA Technical Reports Server (NTRS)

    Hayward, Ryan C. (Inventor); Poon, Hak F. (Inventor); Xiao, Yi (Inventor); Saville, Dudley A. (Inventor); Aksay, Ilhan A. (Inventor)

    2003-01-01

    A method for assembling patterned crystalline arrays of colloidal particles using ultraviolet illumination of an optically-sensitive semiconducting anode while using the anode to apply an electronic field to the colloidal particles. The ultraviolet illumination increases current density, and consequently, the flow of the colloidal particles. As a result, colloidal particles can be caused to migrate from non-illuminated areas of the anode to illuminated areas of the anode. Selective illumination of the anode can also be used to permanently affix colloidal crystals to illuminated areas of the anode while not affixing them to non-illuminated areas of the anode.

  4. Crystallization of fluorozirconate glasses

    NASA Technical Reports Server (NTRS)

    Bansal, Narottam P.; Doremus, Robert H.; Bruce, A. J.; Moynihan, C. T.

    1984-01-01

    The crystallization of a number of glasses of the fluorozirconate family has been studied (using powder X-ray diffraction and DSC) as a function of time and temperature of heating. The main crystalline phases were beta BaZrF6 and beta BaZr2F10. Stable and metastble transformations to the low-temperature alpha phases were also investigated. The size of crystallites in fully devitrified glasses was calculated (from line broadening of the X-ray diffraction peaks) to be about 60 nm.

  5. Photonic crystal microspheres

    NASA Astrophysics Data System (ADS)

    Zhokhov, A. A.; Masalov, V. M.; Sukhinina, N. S.; Matveev, D. V.; Dolganov, P. V.; Dolganov, V. K.; Emelchenko, G. A.

    2015-11-01

    Spherical samples of photonic crystals formed by colloidal SiO2 nanoparticles were synthesized. Synthesis of microspheres from 160 nm, 200 nm and 430 nm diameter colloidal nanoparticles was performed over a wide size range, from 5 μm to 50 μm. The mechanism of formation of void microparticles exceeding 50 μm is discussed. The spectral measurements verified the association of the spectra with the peaks of selective reflection from the cubic lattice planes. The microparticle morphology is characterized by scanning electron microscopy (SEM).

  6. Crystallization in detergent performance

    NASA Astrophysics Data System (ADS)

    Verdoes, D.; Van Landschoot, R. C.; Van Rosmalen, G. M.

    1990-01-01

    The effects of various polymeric additives on the crystallization of CaCO 3 in simple soda-based detergent formulations were investigated. The adherence of CaCO 3 on cotton, a great disadvantage of soda-based detergents, was significantly diminished by copolymers of polystyrene sulfonates. A mechanism in which these additives promote the nucleation of CaCO 3 is proposed. Polyacrylates cause an increasing adherence of CaCO 3 on cotton, because the chains adsorb on cotton and CaCO 3

  7. Lasing from fluorescent protein crystals.

    PubMed

    Oh, Heon Jeong; Gather, Malte C; Song, Ji-Joon; Yun, Seok Hyun

    2014-12-15

    We investigated fluorescent protein crystals for potential photonic applications, for the first time to our knowledge. Rod-shaped crystals of enhanced green fluorescent protein (EGFP) were synthesized, with diameters of 0.5-2 μm and lengths of 100-200 μm. The crystals exhibit minimal light scattering due to their ordered structure and generate substantially higher fluorescence intensity than EGFP or dye molecules in solutions. The magnitude of concentration quenching in EGFP crystals was measured to be about 7-10 dB. Upon optical pumping at 485 nm, individual EGFP crystals located between dichroic mirrors generated laser emission with a single-mode spectral line at 513 nm. Our results demonstrate the potential of protein crystals as novel optical elements for self-assembled, micro- or nano-lasers and amplifiers in aqueous environment. PMID:25607090

  8. Crystallization modifiers in lipid systems.

    PubMed

    Ribeiro, Ana Paula Badan; Masuchi, Monise Helen; Miyasaki, Eriksen Koji; Domingues, Maria Aliciane Fontenele; Stroppa, Valter Luís Zuliani; de Oliveira, Glazieli Marangoni; Kieckbusch, Theo Guenter

    2015-07-01

    Crystallization of fats is a determinant physical event affecting the structure and properties of fat-based products. The stability of these processed foods is regulated by changes in the physical state of fats and alterations in their crystallization behavior. Problems like polymorphic transitions, oil migration, fat bloom development, slow crystallization and formation of crystalline aggregates stand out. The change of the crystallization behavior of lipid systems has been a strategic issue for the processing of foods, aiming at taylor made products, reducing costs, improving quality, and increasing the applicability and stability of different industrial fats. In this connection, advances in understanding the complex mechanisms that govern fat crystallization led to the development of strategies in order to modulate the conventional processes of fat structuration, based on the use of crystallization modifiers. Different components have been evaluated, such as specific triacyglycerols, partial glycerides (monoacylglycerols and diacylglycerols), free fatty acids, phospholipids and emulsifiers. The knowledge and expertise on the influence of these specific additives or minor lipids on the crystallization behavior of fat systems represents a focus of current interest for the industrial processing of oils and fats. This article presents a comprehensive review on the use of crystallization modifiers in lipid systems, especially for palm oil, cocoa butter and general purpose fats, highlighting: i) the removal, addition or fractionation of minor lipids in fat bases; ii) the use of nucleating agents to modify the crystallization process; iii) control of crystallization in lipid bases by using emulsifiers. The addition of these components into lipid systems is discussed in relation to the phenomena of nucleation, crystal growth, morphology, thermal behavior and polymorphism, with the intention of providing the reader with a complete panorama of the associated mechanisms

  9. Protein crystal growth tray assembly

    NASA Technical Reports Server (NTRS)

    Carter, Daniel C. (Inventor); Miller, Teresa Y. (Inventor)

    1992-01-01

    A protein crystal growth tray assembly includes a tray that has a plurality of individual crystal growth chambers. Each chamber has a movable pedestal which carries a protein crystal growth compartment at an upper end. The several pedestals for each tray assembly are ganged together for concurrent movement so that the solutions in the various pedestal growth compartments can be separated from the solutions in the tray's growth chambers until the experiment is to be activated.

  10. Inorganic Crystal Structure Database (ICSD)

    National Institute of Standards and Technology Data Gateway

    SRD 84 FIZ/NIST Inorganic Crystal Structure Database (ICSD) (PC database for purchase)   The Inorganic Crystal Structure Database (ICSD) is produced cooperatively by the Fachinformationszentrum Karlsruhe(FIZ) and the National Institute of Standards and Technology (NIST). The ICSD is a comprehensive collection of crystal structure data of inorganic compounds containing more than 140,000 entries and covering the literature from 1915 to the present.

  11. Crystals Out of "Thin Air"

    NASA Astrophysics Data System (ADS)

    Vollmer, John J.

    2000-04-01

    Sublimation is an excellent method to introduce crystals and crystal formation. In this experiment crystals of para-dichlorobenzene form readily and efficiently from mothballs in a safe setting, using canning jars with ice cubes. The experiment can serve as an introduction to the concept of molecules, especially when combined with the condensation of liquids and the perception of odors. This sublimation is presented for elementary school teachers, but can be an effective demonstration in other settings.

  12. Active and driven hydrodynamic crystals.

    PubMed

    Desreumaux, N; Florent, N; Lauga, E; Bartolo, D

    2012-08-01

    Motivated by the experimental ability to produce monodisperse particles in microfluidic devices, we study theoretically the hydrodynamic stability of driven and active crystals. We first recall the theoretical tools allowing to quantify the dynamics of elongated particles in a confined fluid. In this regime hydrodynamic interactions between particles arise from a superposition of potential dipolar singularities. We exploit this feature to derive the equations of motion for the particle positions and orientations. After showing that all five planar Bravais lattices are stationary solutions of the equations of motion, we consider separately the case where the particles are passively driven by an external force, and the situation where they are self-propelling. We first demonstrate that phonon modes propagate in driven crystals, which are always marginally stable. The spatial structures of the eigenmodes depend solely on the symmetries of the lattices, and on the orientation of the driving force. For active crystals, the stability of the particle positions and orientations depends not only on the symmetry of the crystals but also on the perturbation wavelengths and on the crystal density. Unlike unconfined fluids, the stability of active crystals is independent of the nature of the propulsion mechanism at the single-particle level. The square and rectangular lattices are found to be linearly unstable at short wavelengths provided the volume fraction of the crystals is high enough. Differently, hexagonal, oblique, and face-centered crystals are always unstable. Our work provides a theoretical basis for future experimental work on flowing microfluidic crystals. PMID:22864543

  13. Crystal Chemistry of Melanite Garnet

    NASA Technical Reports Server (NTRS)

    Nguyen, Dawn Marie

    1999-01-01

    This original project resulted in a detailed crystal chemical data map of a titanium rich garnet (melanite) suite that originates from the Crowsnest Volcanics of Alberta Canada. Garnet is typically present during the partial melting of the earth's mantle to produce basalt. Prior studies conducted at Youngstown State University have yielded questions as to the crystal structure of the melanite. In the Studies conducted at Youngstown State University, through the use of single crystal x-ray diffraction, the c-axis appears to be distorted creating a tetragonal crystal instead of the typical cubic crystal of garnets. The micro probe was used on the same suite of titanium rich garnets as used in the single crystal x-ray diffraction. The combination of the single crystal x-ray research and the detailed microprobe research will allow us to determine the exact crystal chemical structure of the melanite garnet. The crystal chemical data was gathered through the utilization of the SX100 Electron Probe Micro Analyzer. Determination of the exact chemical nature may prove useful in modeling the ultramafic source rock responsible for the formation of the titanium rich lunar basalts.

  14. Aluminum-air battery crystallizer

    SciTech Connect

    Maimoni, A.

    1987-01-23

    A prototype crystallizer system for the aluminum-air battery operated reliably through simulated startup and shutdown cycles and met its design objectives. The crystallizer system allows for crystallization and removal of the aluminium hydroxide reaction product; it is required to allow steady-state and long-term operation of the aluminum-air battery. The system has to minimize volume and maintain low turbulence and shear to minimize secondary nucleation and energy consumption while enhancing agglomeration. A lamella crystallizer satisfies system constraints.

  15. Protein crystal growth in space

    NASA Technical Reports Server (NTRS)

    Bugg, C. E.; Clifford, D. W.

    1987-01-01

    The advantages of protein crystallization in space, and the applications of protein crystallography to drug design, protein engineering, and the design of synthetic vaccines are examined. The steps involved in using protein crystallography to determine the three-dimensional structure of a protein are discussed. The growth chamber design and the hand-held apparatus developed for protein crystal growth by vapor diffusion techniques (hanging-drop method) are described; the experimental data from the four Shuttle missions are utilized to develop hardware for protein crystal growth in space and to evaluate the effects of gravity on protein crystal growth.

  16. Quartz-crystal-oscillator hygrometer

    NASA Technical Reports Server (NTRS)

    Kruger, R.

    1977-01-01

    Measuring device, which eliminates complex and expensive optical components by electronically sensing dewpoint of water vapor in gas, employs piezoelectric crystal oscillator, supportive circuitry, temperature regulators, and readout.

  17. Crystal face temperature determination means

    DOEpatents

    Nason, D.O.; Burger, A.

    1994-11-22

    An optically transparent furnace having a detection apparatus with a pedestal enclosed in an evacuated ampule for growing a crystal thereon is disclosed. Temperature differential is provided by a source heater, a base heater and a cold finger such that material migrates from a polycrystalline source material to grow the crystal. A quartz halogen lamp projects a collimated beam onto the crystal and a reflected beam is analyzed by a double monochromator and photomultiplier detection spectrometer and the detected peak position in the reflected energy spectrum of the reflected beam is interpreted to determine surface temperature of the crystal. 3 figs.

  18. Wetting of cholesteric liquid crystals.

    PubMed

    Silvestre, Nuno M; Figueirinhas Pereira, Maria Carolina; Bernardino, Nelson R; Telo da Gama, Margarida M

    2016-02-01

    We investigate theoretically the wetting properties of cholesteric liquid crystals at a planar substrate. If the properties of substrate and of the interface are such that the cholesteric layers are not distorted, the wetting properties are similar to those of a nematic liquid crystal. If, on the other hand, the anchoring conditions force the distortion of the liquid crystal layers the wetting properties are altered, the free cholesteric-isotropic interface is non-planar and there is a layer of topological defects close to the substrate. These deformations can either promote or hinder the wetting of the substrate by a cholesteric, depending on the properties of the cholesteric liquid crystal. PMID:26920516

  19. Surface Relaxation in Protein Crystals

    NASA Technical Reports Server (NTRS)

    Boutet, S.; Robinson, I. K.; Hu, Z. W.; Thomas, B. R.; Chernov, A. A.

    2002-01-01

    Surface X-ray diffraction measurements were performed on (111) growth faces of crystals of the Cellular iron-storage protein horse spleen ferritin. Crystal Trunkation Rods (CTR) were measured. A fit of the measured profile of the CTR revealed a surface roughness of 48 +/- 4.5 A and a top layer spacing contraction of 3.9 +/- 1.5%. In addition to the peak from the CTR, the rocking curves of the crystals displayed unexpected extra peaks. Multiple-scattering is demonstrated to account for them. Future applications of the method could allow the exploration of hydration effects on the growth of protein crystals.

  20. Photonic Crystal Laser Accelerator Structures

    SciTech Connect

    Cowan, Benjamin M

    2003-05-21

    Photonic crystals have great potential for use as laser-driven accelerator structures. A photonic crystal is a dielectric structure arranged in a periodic geometry. Like a crystalline solid with its electronic band structure, the modes of a photonic crystal lie in a set of allowed photonic bands. Similarly, it is possible for a photonic crystal to exhibit one or more photonic band gaps, with frequencies in the gap unable to propagate in the crystal. Thus photonic crystals can confine an optical mode in an all-dielectric structure, eliminating the need for metals and their characteristic losses at optical frequencies. We discuss several geometries of photonic crystal accelerator structures. Photonic crystal fibers (PCFs) are optical fibers which can confine a speed-of-light optical mode in vacuum. Planar structures, both two- and three-dimensional, can also confine such a mode, and have the additional advantage that they can be manufactured using common microfabrication techniques such as those used for integrated circuits. This allows for a variety of possible materials, so that dielectrics with desirable optical and radiation-hardness properties can be chosen. We discuss examples of simulated photonic crystal structures to demonstrate the scaling laws and trade-offs involved, and touch on potential fabrication processes.

  1. Tunable Topological Phononic Crystals

    NASA Astrophysics Data System (ADS)

    Chen, Ze-Guo; Wu, Ying

    2016-05-01

    Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.

  2. Liquid Crystals in Tribology

    PubMed Central

    Carrión, Francisco-José; Martínez-Nicolás, Ginés; Iglesias, Patricia; Sanes, José; Bermúdez, María-Dolores

    2009-01-01

    Two decades ago, the literature dealing with the possible applications of low molar mass liquid crystals, also called monomer liquid crystals (MLCs), only included about 50 references. Today, thousands of papers, conference reports, books or book chapters and patents refer to the study and applications of MLCs as lubricants and lubricant additives and efforts are made to develop new commercial applications. The development of more efficient lubricants is of paramount technological and economic relevance as it is estimated that half the energy consumption is dissipated as friction. MLCs have shown their ability to form ordered boundary layers with good load-carrying capacity and to lower the friction coefficients, wear rates and contact temperature of sliding surfaces, thus contributing to increase the components service life and to save energy. This review includes the use of MLCs in lubrication, and dispersions of MLCs in conventional polymers (PDMLCs). Finally, new lubricating system composed of MLC blends with surfactants, ionic liquids or nanophases are considered. PMID:19865534

  3. Crystal structure of triclopyr

    PubMed Central

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-01-01

    In the title compound {systematic name: 2-[(3,5,6-tri­chloro­pyridin-2-yl)­oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol­ecules in which the dihedral angles between the mean plane of the carb­oxy­lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter­molecular O—H⋯O hydrogen bonds form dimers through an R 2 2(8) ring motif and are extended into chains along [100] by weak π–π inter­actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter­molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). PMID:25309266

  4. Crystal structure of triclopyr.

    PubMed

    Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho

    2014-09-01

    In the title compound {systematic name: 2-[(3,5,6-tri-chloro-pyridin-2-yl)-oxy]acetic acid}, the herbicide triclopyr, C7H4Cl3NO3, the asymmetric unit comprises two independent mol-ecules in which the dihedral angles between the mean plane of the carb-oxy-lic acid group and the pyridyl ring plane are 79.3 (6) and 83.8 (5)°. In the crystal, pairs of inter-molecular O-H⋯O hydrogen bonds form dimers through an R 2 (2)(8) ring motif and are extended into chains along [100] by weak π-π inter-actions [ring centroid separations = 3.799 (4) and 3.810 (4) Å]. In addition, short inter-molecular Cl⋯Cl contacts [3.458 (2) Å] connect the chains, yielding a two-dimensional architecture extending parallel to (020). The crystal studied was found to be non-merohedrally twinned with the minor component being 0.175 (4). PMID:25309266

  5. Absolute Energy Calibration of X-ray TESs with 0.04 eV Uncertainty at 6.4 keV in a Hadron-Beam Environment

    NASA Astrophysics Data System (ADS)

    Tatsuno, H.; Doriese, W. B.; Bennett, D. A.; Curceanu, C.; Fowler, J. W.; Gard, J.; Gustafsson, F. P.; Hashimoto, T.; Hayano, R. S.; Hays-Wehle, J. P.; Hilton, G. C.; Iliescu, M.; Ishimoto, S.; Itahashi, K.; Iwasaki, M.; Kuwabara, K.; Ma, Y.; Marton, J.; Noda, H.; O'Neil, G. C.; Okada, S.; Outa, H.; Reintsema, C. D.; Sato, M.; Schmidt, D. R.; Shi, H.; Suzuki, K.; Suzuki, T.; Uhlig, J.; Ullom, J. N.; Widmann, E.; Yamada, S.; Zmeskal, J.; Swetz, D. S.

    2016-01-01

    A performance evaluation of superconducting transition-edge sensors (TESs) in the environment of a pion beam line at a particle accelerator is presented. Averaged across the 209 functioning sensors in the array, the achieved energy resolution is 5.2 eV FWHM at Co K_{α } (6.9 keV) when the pion beam is off and 7.3 eV at a beam rate of 1.45 MHz. Absolute energy uncertainty of ± 0.04 eV is demonstrated for Fe K_{α } (6.4 keV) with in-situ energy calibration obtained from other nearby known X-ray lines. To achieve this small uncertainty, it is essential to consider the non-Gaussian energy response of the TESs and thermal cross-talk pile-up effects due to charged particle hits in the silicon substrate of the TES array.

  6. (Methanol-κO)bis-{2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolato-κO,O'}tris-(nitrato-κO,O')cerium(III).

    PubMed

    Liu, Jia-Lu; Liu, Jian-Feng; Zhao, Guo-Liang

    2010-01-01

    The asymmetric unit of title compound, [Ce(NO(3))(3)(C(15)H(15)NO(2))(2)(CH(3)OH)], consists of two Schiff base 2-meth-oxy-6-[(4-methyl-phen-yl)iminiometh-yl]phenolate (HL) ligands, three nitrate anions and a methanol ligand. The Ce(III) ion is 11-coordinated: three nitrate radical anions coordinate to the Ce(III) ion through O atoms, two HL ligands chelate the Ce(III) ion through the O atoms of the phenolate and meth-oxy groups, and one methanol mol-ecule coordinates to Ce(III) ion through its O atom. The O atom of one nitrate anion is disordered over two sites of equal occupancy. The protonated imine N atoms are involved in intra-molecular hydrogen bonds with the phenoxide groups. C-H⋯O inter-actions are also observed. PMID:21588168

  7. Absolute Energy Calibration of X-ray TESs with 0.04 eV Uncertainty at 6.4 keV in a Hadron-Beam Environment

    NASA Astrophysics Data System (ADS)

    Tatsuno, H.; Doriese, W. B.; Bennett, D. A.; Curceanu, C.; Fowler, J. W.; Gard, J.; Gustafsson, F. P.; Hashimoto, T.; Hayano, R. S.; Hays-Wehle, J. P.; Hilton, G. C.; Iliescu, M.; Ishimoto, S.; Itahashi, K.; Iwasaki, M.; Kuwabara, K.; Ma, Y.; Marton, J.; Noda, H.; O'Neil, G. C.; Okada, S.; Outa, H.; Reintsema, C. D.; Sato, M.; Schmidt, D. R.; Shi, H.; Suzuki, K.; Suzuki, T.; Uhlig, J.; Ullom, J. N.; Widmann, E.; Yamada, S.; Zmeskal, J.; Swetz, D. S.

    2016-08-01

    A performance evaluation of superconducting transition-edge sensors (TESs) in the environment of a pion beam line at a particle accelerator is presented. Averaged across the 209 functioning sensors in the array, the achieved energy resolution is 5.2 eV FWHM at Co K_{α } (6.9 keV) when the pion beam is off and 7.3 eV at a beam rate of 1.45 MHz. Absolute energy uncertainty of ± 0.04 eV is demonstrated for Fe K_{α } (6.4 keV) with in-situ energy calibration obtained from other nearby known X-ray lines. To achieve this small uncertainty, it is essential to consider the non-Gaussian energy response of the TESs and thermal cross-talk pile-up effects due to charged particle hits in the silicon substrate of the TES array.

  8. Two-fermion-four-boson description of {sup 198}Hg within the U{sub {nu}}(6/12) x U{sub {pi}}(6/4) extended nuclear structure supersymmetry

    SciTech Connect

    Bernards, C.; Heinze, S.; Jolie, J.; Fransen, C.; Linnemann, A.; Radeck, D.

    2009-05-15

    Using the U{sub {nu}}(6/12) x U{sub {pi}}(6/4) extended supersymmetry, we constructed the energy spectrum and electromagnetic transition properties of the supermultiplet member {sup 198}Hg with two proton fermions coupled to a neutron boson core. Consistency between the supersymmetric interacting boson fermion fermion approximation (IBFFA) description and the F-spin symmetric interacting boson approximation (IBA-2) description is shown for this two-fermion-N-boson multiplet member. The data of a {gamma}{gamma} angular correlation experiment using the HORUS cube {gamma}-ray spectrometer--determining new multipole mixing ratios, level spins, {gamma} transitions, and energy states--shows quite a good agreement, also for the low-energy part of the spectrum, when comparing theoretical predictions and experimental data. This is contrary to the usual assumption that a two-fermion-N-boson constellation should describe just the excited two-quasiparticle states.

  9. Nuclear magnetic resonance studies of cis-syn, trans-syn, and 6-4 photodimers of thymidylyl(3'-5')thymidine monophosphate and cis-syn photodimers of thymidylyl(3'-5')thymidine cyanoethyl phosphotriester

    SciTech Connect

    Kan, L.; Voituriez, L.; Cadet, J.

    1988-07-26

    Three out of four possible photodimers of thymidylyl(3'-5')thymidine monophosphates (i.e., cis-syn, 6-4, and one of the trans-syn) and two structural isomers (i.e., R and S forms) of cis-syn-thymidylyl(3'-5')thymidine cyanoethyl phosphotriester have been isolated and purified from the reaction mixtures after UV irradiation and studied by multinuclear magnetic resonance spectroscopy. All five inter thymine base linked photodimers have grossly similar structures which are quite different from those of the parent thymidylyl(3'-5')thymidine. The base of Tp- is in the syn conformation, and that of -pT is in the anti conformation. The sugar puckering of Tp- is dominated by the /sup 2/E conformer, but in -pT it is in /sup 4/E; except for the conformer around the C/sub 5/'-O/sub 5/' bond, the 6-4 isomer is very similar to those of cis-syn and trans-syn conformation. As expected, there are sugar-phosphate backbone distortions in the phosphotriesters, due to the neutralization of the negative charge of the phosphate. In general the structures of all five photodimers are very close to those of the cis-syn photodimer of thymidylyl(3'-5')thymidine monophosphate cyanoethyl ester as studied by X-ray diffraction. While the trans-syn photodimer has two structural isomers, only one (C/sub 6/(of Tp-)-R) was produced by the UV irradiation and studied.

  10. Spectrometric measurements and DFT studies on new complex of copper (II) with 2-((E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole.

    PubMed

    Zhang, Haoyang; Hu, Jie; Zhao, Jianying; Zhang, Yu

    2016-11-01

    The molecular structure of a new complex of copper (II) with (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole ([Cu2(emppc)2Cl2]Cl2) was optimized with B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ theoretical level. The ligand, (E)-9-ethyl-3-(2-(6-(4-methylpyridin-2-yl)pyridin-3-yl)vinyl)-9H-carbazole (emppc), binds to Cu(II) ions with a bi-dentate mode, two Cl(-) serve as bridging ligand, each Cu(II) ion has a highly distorted tetrahedron coordination geometry. With M062X/LanL2DZ theoretical level, the calculated interaction energies of Cu(II) with coordination atoms N are between 183.3-200.0kJmol(-1) for α spin and 319.4-324.9kJmol(-1) for β spin, and interaction energies of Cu(II) with coordination atoms Cl atom are 248.0-252.4kJmol(-1) for α spin and 332.6-333.6kJmol(-1) for β spin. The experimental Fourier transform infrared spectrum was assigned. The calculated IR based on B3LYP/LanL2DZ, PBE1PBE/LanL2DZ and M062X/LanL2DZ methods were performed and compared with experimental results. The UV-Vis experimental spectra of [Cu2(emppc)2Cl2]Cl2 was measured in methanol solution. The calculated electronic spectrum was performed with TD/M062X and PCM-TD/M062X methods with LanL2DZ basis set. The nature bond orbital analysis and temperature dependence of the thermodynamic properties were calculated with the same methods. PMID:27285472

  11. High-precision Photometric Redshifts from Spitzer/IRAC: Extreme [3.6] - [4.5] Colors Identify Galaxies in the Redshift Range z ˜ 6.6 - 6.9

    NASA Astrophysics Data System (ADS)

    Smit, Renske; Bouwens, Rychard J.; Franx, Marijn; Oesch, Pascal A.; Ashby, Matthew L. N.; Willner, S. P.; Labbé, Ivo; Holwerda, Benne; Fazio, Giovanni G.; Huang, J.-S.

    2015-03-01

    One of the most challenging aspects of studying galaxies in the z≳ 7 universe is the infrequent confirmation of their redshifts through spectroscopy, a phenomenon thought to occur from the increasing opacity of the intergalactic medium to Lyα photons at z\\gt 6.5. The resulting redshift uncertainties inhibit the efficient search for [C ii] in z˜ 7 galaxies with sub-millimeter instruments such as ALMA, given their limited scan speed for faint lines. One means by which to improve the precision of the inferred redshifts is to exploit the potential impact of strong nebular emission lines on the colors of z ˜ 4 - 8 galaxies as observed by Spitzer/IRAC. At z˜ 6.8, galaxies exhibit IRAC colors as blue as [3.6]-[4.5]˜ -1, likely due to the contribution of [O iii]+Hβ to the 3.6 μm flux combined with the absence of line contamination in the 4.5 μm band. In this paper we explore the use of extremely blue [3.6]-[4.5] colors to identify galaxies in the narrow redshift window z ˜ 6.6 - 6.9. When combined with an I-dropout criterion, we demonstrate that we can plausibly select a relatively clean sample of z˜ 6.8 galaxies. Through a systematic application of this selection technique to our catalogs from all five CANDELS fields, we identify 20 probable z ˜ 6.6 - 6.9 galaxies. We estimate that our criteria select the ˜50% strongest line emitters at z˜ 6.8 and from the IRAC colors we estimate a typical [O iii]+Hβ rest-frame equivalent width of 1085 Å for this sample. The small redshift uncertainties on our sample make it particularly well suited for follow-up studies with facilities such as ALMA.

  12. Crystallization and crystal manipulation of the Pterocarpus angolensis seed lectin.

    PubMed

    Loris, Remy; Garcia-Pino, Abel; Buts, Lieven; Bouckaert, Julie; Beeckmans, Sonia; De Greve, Henri; Wyns, Lode

    2005-06-01

    The Man/Glc-specific legume lectin from the seeds of the African bloodwood tree (Pterocarpus angolensis) was crystallized in the presence of the disaccharide ligand Man(alpha1-3)ManMe. Small crystals initially appeared from a preliminary screen, but proved difficult to reproduce. The initial crystals were used to prepare microseeds, leading to a reproducible crystallization protocol. All attempts to obtain crystals directly of the ligand-free protein or of other carbohydrate complexes failed. However, the Man(alpha1-3)ManMe co-crystals withstand soaking with ten other carbohydrates known to bind to the lectin. Soaking for 15 min in 100 mM carbohydrate typically resulted in complete replacement of Man(alpha1-3)ManMe by the desired carbohydrate despite the involvement of lattice contacts at the binding site. Transferring the crystals for two weeks in carbohydrate-free artificial mother liquor resulted in the complete removal of the sugar from one of the two monomers in the asymmetric unit. Additional treatment of these crystals with 100 mM EDTA for two weeks resulted in removal of the structural calcium and manganese ions, which is accompanied by significant structural rearrangements of the loops that constitute the carbohydrate-binding site. PMID:15930620

  13. Glasses crystallize rapidly at free surfaces by growing crystals upward

    PubMed Central

    Sun, Ye; Zhu, Lei; Kearns, Kenneth L.; Ediger, Mark D.; Yu, Lian

    2011-01-01

    The crystallization of glasses and amorphous solids is studied in many fields to understand the stability of amorphous materials, the fabrication of glass ceramics, and the mechanism of biomineralization. Recent studies have found that crystal growth in organic glasses can be orders of magnitude faster at the free surface than in the interior, a phenomenon potentially important for understanding glass crystallization in general. Current explanations differ for surface-enhanced crystal growth, including released tension and enhanced mobility at glass surfaces. We report here a feature of the phenomenon relevant for elucidating its mechanism: Despite their higher densities, surface crystals rise substantially above the glass surface as they grow laterally, without penetrating deep into the bulk. For indomethacin (IMC), an organic glass able to grow surface crystals in two polymorphs (α and γ), the growth front can be hundreds of nanometers above the glass surface. The process of surface crystal growth, meanwhile, is unperturbed by eliminating bulk material deeper than some threshold depth (ca. 300 nm for α IMC and less than 180 nm for γ IMC). As a growth strategy, the upward-lateral growth of surface crystals increases the system’s surface energy, but can effectively take advantage of surface mobility and circumvent slow growth in the bulk. PMID:21444775

  14. Oxygen content and crystal field effects in RBa sub 2 Cu sub 3 O sub x

    SciTech Connect

    Podlesnyak, A.A.; Mirmelstein, A.V.; Bobrovskii, V.I.; Zhadhin, I.L.; Blinovskov, Y.N.; Kozhenvnikov, V.L.; Goshchitskii, B.N. )

    1991-05-10

    Effects of crystal electrical field (CEF) in the orthorhombic phase of RBa{sub 2}Cu{sub 3}O{sub x} (R = Ho, Er; x = 6.9, 6.4) are investigated by inelastic magnetic neutron scattering (IMNS). The level schemes of the lowest multiplet of 4f-shell of the rare-earth ion are found. In this paper it is shown that the experimental scattering spectra and their variation depending on the oxygen content may be explained by spacial distribution of the negative charge within the unit cell.

  15. Scintillating crystals for precision crystal calorimetry in high energy physics

    SciTech Connect

    Zhu, R.

    1998-11-01

    Scintillating crystals in future high energy physics experiments face a new challenge to maintain its performance in a hostile radiation environment. This paper discusses the effects of radiation damage in scintillating crystals. The importance of maintaining crystal{close_quote}s light response uniformity and the feasibility to build a precision crystal calorimeter under radiation are elaborated. The mechanism of radiation damage in scintillating crystals is also discussed. While the damage in alkali halides is found to be caused by the oxygen/hydroxyl contamination, it is the structure defects, such as oxygen vacancies, cause damage in oxides. Material analysis used to reach these conclusions are presented in details. {copyright} {ital 1998 American Institute of Physics.}

  16. Engineering calcium oxalate crystal formation in Arabidopsis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Many plants accumulate crystals of calcium oxalate. Just how these crystals form remains unknown. To gain insight into the mechanisms regulating calcium oxalate crystal formation, a crystal engineering approach was initiated utilizing the non-crystal accumulating plant, Arabidopsis. The success of t...

  17. Optics of globular photonic crystals

    SciTech Connect

    Gorelik, V S

    2007-05-31

    The results of experimental and theoretical studies of the optical properties of globular photonic crystals - new physical objects having a crystal structure with the lattice period exceeding considerably the atomic size, are presented. As globular photonic crystals, artificial opal matrices consisting of close-packed silica globules of diameter {approx}200 nm were used. The reflection spectra of these objects characterising the parameters of photonic bands existing in these crystals in the visible spectral region are presented. The idealised models of the energy band structure of photonic crystals investigated in the review give analytic dispersion dependences for the group velocity and the effective photon mass in a globular photonic crystal. The characteristics of secondary emission excited in globular photonic crystals by monochromatic and broadband radiation are presented. The results of investigations of single-photon-excited delayed scattering of light observed in globular photonic crystals exposed to cw UV radiation and radiation from a repetitively pulsed copper vapour laser are presented. The possibilities of using globular photonic crystals as active media for lasing in different spectral regions are considered. It is proposed to use globular photonic crystals as sensitive sensors in optoelectronic devices for molecular analysis of organic and inorganic materials by the modern methods of laser spectroscopy. The results of experimental studies of spontaneous and stimulated globular scattering of light are discussed. The conditions for observing resonance and two-photon-excited delayed scattering of light are found. The possibility of accumulation and localisation of the laser radiation energy inside a globular photonic crystal is reported. (review)

  18. Variable focus crystal diffraction lens

    SciTech Connect

    Smither, R.K.

    1988-11-01

    A new method has been developed to control the shape of the surface of a diffracting crystal that will allow it to function as a variable focus crystal diffraction lens, for focusing photon beams from a synchrotron source. The new method uses thermal gradients in the crystal to control the shape of the surface of the crystal in two dimensions and allows one to generate both spherical and ellipsoidal surface shapes. In this work the thermal gradient was generated by core drilling two sets of cooling channels in a silicon crystal so that cooling or heating fluids could be circulated through the crystal at two different levels. The first set of channels is close to the surface of the crystal where the photon beam strikes it. The second set of channels is equal distant from the back surface. If a concave surface is desired, the fluid in the channels just below the surface exposed to the beam is cooler than the fluid circulating through the channels near the back surface. If a convex surface is desired, then the cooling fluid in the upper channels near the surface exposed to the incident photon beam, is warmer than the fluid in the lower channels. The focal length of the crystal lens is varied by varying the thermal gradient in the crystal. This approach can also be applied to the first crystal in a high power synchrotron beam line to eliminate the bowing and other thermal distortions of the crystal caused by the high heat load. 6 refs., 8 figs., 3 tabs.

  19. Influence of surface cracks on laser-induced damage resistance of brittle KH₂PO₄ crystal.

    PubMed

    Cheng, Jian; Chen, Mingjun; Liao, Wei; Wang, Haijun; Wang, Jinghe; Xiao, Yong; Li, Mingquan

    2014-11-17

    Single point diamond turning (SPDT) currently is the leading finishing method for achieving ultra-smooth surface on brittle KH(2)PO(4) crystal. In this work, the light intensification modulated by surface cracks introduced by SPDT cutting is numerically simulated using finite-difference time-domain algorithm. The results indicate that the light intensification caused by surface cracks is wavelength, crack geometry and position dependent. Under the irradiation of 355 nm laser, lateral cracks on front surfaces and conical cracks on both front and rear surfaces can produce light intensification as high as hundreds of times, which is sufficient to trigger avalanche ionization and finally lower the laser damage resistance of crystal components. Furthermore, we experimentally tested the laser-induced damage thresholds (LIDTs) on both crack-free and flawed crystal surfaces. The results imply that brittle fracture with a series of surface cracks is the dominant source of laser damage initiation in crystal components. Due to the negative effect of surface cracks, the LIDT on KDP crystal surface could be sharply reduced from 7.85J/cm(2) to 2.33J/cm(2) (355 nm, 6.4 ns). In addition, the experiment of laser-induced damage growth is performed and the damage growth behavior agrees well with the simulation results of light intensification caused by surface cracks with increasing crack depths. PMID:25402114

  20. Dynamically controlled crystal growth system

    NASA Technical Reports Server (NTRS)

    Bray, Terry L. (Inventor); Kim, Larry J. (Inventor); Harrington, Michael (Inventor); DeLucas, Lawrence J. (Inventor)

    2002-01-01

    Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

  1. Photoelastic sphenoscopic analysis of crystals

    NASA Astrophysics Data System (ADS)

    Montalto, L.; Rinaldi, D.; Scalise, L.; Paone, N.; Davı, F.

    2016-01-01

    Birefringent crystals are at the basis of various devices used in many fields, from high energy physics to biomedical imaging for cancer detection. Since crystals are the main elements of those devices, a great attention is paid on their quality and properties. Here, we present a methodology for the photoelastic analysis of birefringent crystals, based on a modified polariscope. Polariscopes using conoscopic observation are used to evaluate crystals residual stresses in a precise but time consuming way; in our methodology, the light beam shape, which impinges on the crystal surface, has been changed from a solid cone (conoscopy) to a wedge (sphenoscopy). Since the polarized and coherent light is focused on a line rather than on a spot, this allows a faster analysis which leads to the observation, at a glance, of a spatial distribution of stress along a line. Three samples of lead tungstate crystals have been observed using this technique, and the obtained results are compared with the conoscopic observation. The samples have been tested both in unloaded condition and in a loaded configuration induced by means of a four points bending device, which allows to induce a known stress distribution in the crystal. The obtained results confirm, in a reliable manner, the sensitivity of the methodology to the crystal structure and stress.

  2. Positioning Vise for Crystal Cleavage

    NASA Technical Reports Server (NTRS)

    Hallberg, F. C.; Morgan, C. J.

    1984-01-01

    Vise manipulates brittle crystals, such as lithium fluoride, so they are in proper position for cleaving. Vise allows crystals as thin as 2 millimeters or less positioned so that cleaved without breakage. Vise holds workpiece firmly but gently. Bushings, shafts and adjusting screw designed to move jaws smoothly and uniformly with great tactile sensitivity.

  3. Controlling Chirality of Entropic Crystals

    NASA Astrophysics Data System (ADS)

    Damasceno, Pablo; Karas, Andrew; Schultz, Benjamin; Engel, Michael; Glotzer, Sharon

    Colloidal crystal structures with complexity and diversity rivaling atomic and molecular crystals have been predicted and obtained for hard particles by entropy maximization. However, thus far homochiral colloidal crystals, which are candidates for photonic metamaterials, are absent. Using Monte Carlo simulations we show that chiral polyhedra exhibiting weak directional entropic forces self-assemble either an achiral crystal or a chiral crystal with limited control over the crystal handedness. Building blocks with stronger faceting exhibit higher selectivity and assemble a chiral crystal with handedness uniquely determined by the particle chirality. Tuning the strength of directional entropic forces by means of particle rounding or the use of depletants allows for reconfiguration between achiral and homochiral crystals. We rationalize our findings by quantifying the chirality strength of each particle, both from particle geometry and potential of mean force and torque diagrams. Work supported by the National Science Foundation, Division of Materials Research Award No. DMR 1120923, U.S. Army Research Office under Grant Award No. W911NF-10-1-0518, and also by the DOD/ASD (R&E) under Award No. N00244-09-1-0062.

  4. Novel inclusion in laser crystals

    SciTech Connect

    Ma Xiaoshan; Wang Siting; Jin Zhongru; Shen Yafang; Chen Jiaguang

    1986-12-01

    In growing alexandrite crystals, a novel inclusion has been found. The inclusions are quantitatively analyzed by an electronic probe and the mechanism for forming inclusions is suggested. In our Bridgman MgF/sub 2/ crystals, the inclusions in <001> direction have also been observed.

  5. Growing Crystals on the Ceiling.

    ERIC Educational Resources Information Center

    Christman, Robert A.

    1980-01-01

    Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

  6. Cessation of growth in crystals

    NASA Astrophysics Data System (ADS)

    Falcón Rodríguez, C.; Aguilera Morales, S.; Falcón Rodríguez, F.

    2000-01-01

    A mathematical model that explains the cessation of growth of protein crystals as a consequence of the increment of bond weakness between adjacent protein molecules is presented. It is assumed that the main factor increasing the bond weakness is the concentration of precipitating salts generally used in protein crystal growth practice.

  7. Crystallization of steroids in gels

    NASA Astrophysics Data System (ADS)

    Kalkura, S. Narayana; Devanarayanan, S.

    1991-03-01

    The crystal growth and characterization of certain steriods, viz., cholesterol, cholesteryl acetate, β-sitosterol, progesterone and testosterone, in a silica gel medium is discussed. The present study shows that the single test tube diffusion method can be used to grow crystals of steroids in a silica gel medium by the reduction of steroid solubility.

  8. Czochralski crystal growth: Modeling study

    NASA Technical Reports Server (NTRS)

    Dudukovic, M. P.; Ramachandran, P. A.; Srivastava, R. K.; Dorsey, D.

    1986-01-01

    The modeling study of Czochralski (Cz) crystal growth is reported. The approach was to relate in a quantitative manner, using models based on first priniciples, crystal quality to operating conditions and geometric variables. The finite element method is used for all calculations.

  9. Protein crystal growth in microgravity

    NASA Technical Reports Server (NTRS)

    Carter, Daniel

    1992-01-01

    The overall scientific goals and rationale for growing protein crystals in microgravity are discussed. Data on the growth of human serum albumin crystals which were produced during the First International Microgravity Laboratory (IML-1) are presented. Potential scientific advantages of the utilization of Space Station Freedom are discussed.

  10. Pharmaceutical crystallization with nanocellulose organogels.

    PubMed

    Ruiz-Palomero, Celia; Kennedy, Stuart R; Soriano, M Laura; Jones, Christopher D; Valcárcel, Miguel; Steed, Jonathan W

    2016-06-14

    Carboxylated nanocellulose forms organogels at 0.3 wt% in the presence of a cationic surfactant. The resulting gels can be used as novel crystallization media for pharmaceutical solid form control, resulting in isolation a new sulfapyridine solvate, morphology modification and crystallization of an octadecylammonium salt of sulfamethoxazole. PMID:27168091

  11. Crystals Out of "Thin Air".

    ERIC Educational Resources Information Center

    Vollmer, John J.

    2000-01-01

    Describes how to grow crystals of para-dichlorobenzene beginning with household mothballs. The crystals form through sublimation (solid to gas) and deposition (gas to solid). Also discusses demonstrations of evaporation and condensation and odor perception, which can support a study of the kinetic theory and phases of matter. (WRM)

  12. Natural photonic crystals

    NASA Astrophysics Data System (ADS)

    Vigneron, Jean Pol; Simonis, Priscilla

    2012-10-01

    Photonic structures appeared in nature several hundred millions years ago. In the living world, color is used for communication and this important function strongly impacts the individual chances of survival as well as the chances to reproduce. This has a statistical influence on species populations. Therefore, because they are involved in evolution, natural color-generating structures are - from some point of view - highly optimized. In this short review, a survey is presented of the development of natural photonic crystal-type structures occurring in insects, spiders, birds, fishes and other marine animals, in plants and more, from the standpoint of light-waves propagation. One-, two-, and three-dimensional structures will be reviewed with selected examples.

  13. Bioengineering single crystal growth.

    PubMed

    Wu, Ching-Hsuan; Park, Alexander; Joester, Derk

    2011-02-16

    Biomineralization is a "bottom-up" synthesis process that results in the formation of inorganic/organic nanocomposites with unrivaled control over structure, superior mechanical properties, adaptive response, and the capability of self-repair. While de novo design of such highly optimized materials may still be out of reach, engineering of the biosynthetic machinery may offer an alternative route to design advanced materials. Herein, we present an approach using micro-contact-printed lectins for patterning sea urchin embryo primary mesenchyme cells (PMCs) in vitro. We demonstrate not only that PMCs cultured on these substrates show attachment to wheat germ agglutinin and concanavalin A patterns but, more importantly, that the deposition and elongation of calcite spicules occurs cooperatively by multiple cells and in alignment with the printed pattern. This allows us to control the placement and orientation of smooth, cylindrical calcite single crystals where the crystallographic c-direction is parallel to the cylinder axis and the underlying line pattern. PMID:21265521

  14. Lamella settler crystallizer

    DOEpatents

    Maimoni, Arturo

    1990-01-01

    A crystallizer which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities.

  15. Lamella settler crystallizer

    DOEpatents

    Maimoni, A.

    1990-12-18

    A crystallizer is described which incorporates a lamella settler and which is particularly applicable for use in batteries and power cells for electric vehicles or stationary applications. The lamella settler can be utilized for coarse particle separation or for agglomeration, and is particularly applicable to aluminum-air batteries or power cells for solving the hydrargillite (aluminum-hydroxide) removal problems from such batteries. This invention provides the advantages of very low energy consumption, turbulence, shear, cost and maintenance. Thus, due to the low shear and low turbulence of this invention, it is particularly effective in the control of aluminum hydroxide particle size distribution in the various sections of an aluminum-air system, as well as in other electrochemical systems requiring separation for phases of different densities. 3 figs.

  16. Voxelated liquid crystal elastomers

    NASA Astrophysics Data System (ADS)

    Ware, Taylor H.; McConney, Michael E.; Wie, Jeong Jae; Tondiglia, Vincent P.; White, Timothy J.

    2015-02-01

    Dynamic control of shape can bring multifunctionality to devices. Soft materials capable of programmable shape change require localized control of the magnitude and directionality of a mechanical response. We report the preparation of soft, ordered materials referred to as liquid crystal elastomers. The direction of molecular order, known as the director, is written within local volume elements (voxels) as small as 0.0005 cubic millimeters. Locally, the director controls the inherent mechanical response (55% strain) within the material. In monoliths with spatially patterned director, thermal or chemical stimuli transform flat sheets into three-dimensional objects through controlled bending and stretching. The programmable mechanical response of these materials could yield monolithic multifunctional devices or serve as reconfigurable substrates for flexible devices in aerospace, medicine, or consumer goods.

  17. Photonic Crystal Nanolaser Biosensors

    NASA Astrophysics Data System (ADS)

    Kita, Shota; Otsuka, Shota; Hachuda, Shoji; Endo, Tatsuro; Imai, Yasunori; Nishijima, Yoshiaki; Misawa, Hiroaki; Baba, Toshihiko

    High-performance and low-cost sensors are critical devices for high-throughput analyses of bio-samples in medical diagnoses and life sciences. In this paper, we demonstrate photonic crystal nanolaser sensor, which detects the adsorption of biomolecules from the lasing wavelength shift. It is a promising device, which balances a high sensitivity, high resolution, small size, easy integration, simple setup and low cost. In particular with a nanoslot structure, it achieves a super-sensitivity in protein sensing whose detection limit is three orders of magnitude lower than that of standard surface-plasmon-resonance sensors. Our investigations indicate that the nanoslot acts as a protein condenser powered by the optical gradient force, which arises from the strong localization of laser mode in the nanoslot.

  18. Frequency mixing crystal

    DOEpatents

    Ebbers, Christopher A.; Davis, Laura E.; Webb, Mark

    1992-01-01

    In a laser system for converting infrared laser light waves to visible light comprising a source of infrared laser light waves and means of harmoic generation associated therewith for production of light waves at integral multiples of the frequency of the original wave, the improvement of said means of harmonic generation comprising a crystal having the chemical formula X.sub.2 Y(NO.sub.3).sub.5 .multidot.2 nZ.sub.2 o wherein X is selected from the group consisting of Li, Na, K, Rb, Cs, and Tl; Y is selected from the group consisting of Sc, Y, La, Ce, Nd, Pr, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Al, Ga, and In; Z is selected from the group consisting of H and D; and n ranges from 0 to 4.

  19. MCT crystal growth

    NASA Technical Reports Server (NTRS)

    Baird, James K.

    1988-01-01

    Convection and segregation in directional solidification and crystal growth by the Bridgman-Stockbarger technique are traditionally treated by assuming axisymmetric thermal condition on the ampoule wall. It is, however, difficult to achieve such a condition in an experimental setup. Any deviation from an axisymmetric temperature field on the wall of a vertical ampoule represents a horizontal temperature gradient. The horizontal density gradient that results from thermal expansion in the melt under this condition must lead on earth to some buoyance-driven convection, no matter what the axial (vertical) temperature distribution that is imposed on the melt. The magnitude of such convective flows for conditions representative of the MSFC mercury-cadmium-telluride (MCT) Bridgman setup is studied.

  20. Dual quartz crystal microbalance

    SciTech Connect

    Dunham, G.C.; Benson, N.H.; Petelenz, D.; Janata, J. )

    1995-01-15

    Construction and performance of a dual quartz crystal microbalance is described. The final probe has a dipstick configuration that is particularly suitable for sensing and monitoring applications in viscous and/or conducting liquids. The differential (heterodyned) frequency measurement substantially eliminates the deleterious effects of viscosity, temperature, and conductivity. The corresponding performance coefficients are temperature df/dT = 1.5 Hz/[degree]C, viscosity df/d[eta][sub L] = 103 Hz/cP, and conductivity df/dM = 108 Hz/M, where conductivity is expressed in terms of molarity of sodium chloride. As an example, the etching of a 2000-A-thick layer of aluminum has been monitored as a function of time. 13 refs., 8 figs., 1 tab.

  1. Computational strain gradient crystal plasticity

    NASA Astrophysics Data System (ADS)

    Niordson, Christian F.; Kysar, Jeffrey W.

    2014-01-01

    A numerical method for viscous strain gradient crystal plasticity theory is presented, which incorporates both energetic and dissipative gradient effects. The underlying minimum principles are discussed as well as convergence properties of the proposed finite element procedure. Three problems of plane crystal plasticity are studied: pure shear of a single crystal between rigid platens as well as plastic deformation around cylindrical voids in hexagonal close packed and face centered cubic crystals. Effective in-plane constitutive slip parameters for plane strain deformation of specifically oriented face centered cubic crystals are developed in terms of the crystallographic slip parameters. The effect on geometrically necessary dislocation structures introduced by plastic deformation is investigated as a function of the ratio of void radius to plasticity length scale.

  2. Modeling liquid crystal polymeric devices

    NASA Astrophysics Data System (ADS)

    Gimenez Pinto, Vianney Karina

    The main focus of this work is the theoretical and numerical study of materials that combine liquid crystal and polymer. Liquid crystal elastomers are polymeric materials that exhibit both the ordered properties of the liquid crystals and the elastic properties of rubbers. Changing the order of the liquid crystal molecules within the polymer network can induce shape change. These materials are very valuable for applications such as actuators, sensors, artificial muscles, haptic displays, etc. In this work we apply finite element elastodynamics simulations to study the temperature induced shape deformation in nematic elastomers with complex director microstructure. In another topic, we propose a novel numerical method to model the director dynamics and microstructural evolution of three dimensional nematic and cholesteric liquid crystals. Numerical studies presented in this work are in agreement with experimental observations and provide insight into the design of application devices.

  3. Development of single crystal membranes

    NASA Technical Reports Server (NTRS)

    Stormont, R. W.; Cocks, F. H.

    1972-01-01

    The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.

  4. Bacterial Ice Crystal Controlling Proteins

    PubMed Central

    Lorv, Janet S. H.; Rose, David R.; Glick, Bernard R.

    2014-01-01

    Across the world, many ice active bacteria utilize ice crystal controlling proteins for aid in freezing tolerance at subzero temperatures. Ice crystal controlling proteins include both antifreeze and ice nucleation proteins. Antifreeze proteins minimize freezing damage by inhibiting growth of large ice crystals, while ice nucleation proteins induce formation of embryonic ice crystals. Although both protein classes have differing functions, these proteins use the same ice binding mechanisms. Rather than direct binding, it is probable that these protein classes create an ice surface prior to ice crystal surface adsorption. Function is differentiated by molecular size of the protein. This paper reviews the similar and different aspects of bacterial antifreeze and ice nucleation proteins, the role of these proteins in freezing tolerance, prevalence of these proteins in psychrophiles, and current mechanisms of protein-ice interactions. PMID:24579057

  5. Texturing studies on ? bulk crystals

    NASA Astrophysics Data System (ADS)

    Prabhakaran, D.; Subramanian, C.

    1998-08-01

    Textured crystals of 0953-2048/11/8/013/img2 have been grown by the platinum strip heater-floating zone technique. Texturing ratio and phase purity (Bi-2212) of the grown crystals were calculated from the x-ray diffraction data. Chemical compositions of the grown crystals were quantified from the inductively coupled plasma analysis. 0953-2048/11/8/013/img3 was found to be increased by 2 K for a lower level of substitution and a superconductor to semiconductor transition was observed for the higher order Y substitution. Oxygen stoichiometries of the Y substituted crystals were quantified from the iodometry titration method. Micro-twinning along the growth axis was revealed during etching studies for the cleaved crystals.

  6. Liquid crystal lens focusing in monocentric multiscale imagers

    NASA Astrophysics Data System (ADS)

    Stamenov, Igor; Tremblay, Eric; Baker, Katherine A.; McLaughlin, Paul; Ford, Joseph E.

    2012-10-01

    In multiscale imagers a single objective lens is shared by multiple secondary optical systems, so that a high-resolution wide-angle image is acquired in overlapping fields sensed by multiple conventional focal planes. In the "AWARE2" 2 Gigapixel imager, F/2.4 optics cover a 120 degree field of view using a monocentric glass primary lens shared by 221 molded plastic subimagers, each with a 14 Megapixel focal plane. Such imagers can independently focus parts of the image field, allowing wide-angle imaging over relatively close and deep image fields. However, providing hundreds of independent mechanical focus adjustments has a significant system impact in terms of complexity, bulk, and cost. In this paper we explore the use of an electronically controlled liquid crystal lens for focus of multiscale imagers in general, and demonstrate use with the AWARE2 imager optics. The Lens Vector Auto Focus (LVAF) liquid crystal lens provides up to 5 diopters of optical power over a 2.2mm aperture diameter, the maximum currently available aperture. However, a custom lens using the same materials and basic structure can provide the 5 diopters power and 6.4 mm aperture required to obtain full resolution overlapping image fields in the AWARE2 imager. We characterize the LVAF lens and the optical performance of the LVAF lens in the current AWARE2 prototype, comparing the measured and optically modeled resolution, and demonstrating software control of focus from infinity to an 2m object distance.

  7. Crystallization of Biological Macromolecules in Microgravity

    NASA Technical Reports Server (NTRS)

    Snell, Edward H.; Chayen, N. E.; Helliwell, J. R.

    2000-01-01

    An overview of microgravity crystallization explaining why microgravity is used, factors which affect crystallization, the method of crystallization and the environment itself. Also covered is how best to make use of microgravity and what the future might hold.

  8. Growing single crystals in silica gel

    NASA Technical Reports Server (NTRS)

    Rubin, B.

    1970-01-01

    Two types of chemical reactions for crystal growing are discussed. The first is a metathetical reaction to produce calcium tartrate tetrahydrate crystals, the second is a decomplexation reaction to produce cuprous chloride crystals.

  9. Crystallization and crystal packing analysis of DNA oligonucleotides

    NASA Astrophysics Data System (ADS)

    Wang, Andrew H.-J.; Teng, M.-K.

    1988-07-01

    There are now over 30 DNA oligonucleotides that have been crystallized and their structure determined by X-ray diffraction analysis. From these studies there is a new wealth of information available to us concerning the fine details of the conformation of DNA molecules and their interactions with other ligands such as antitumor drugs and ions. In addition, the intensive efforts in attempting to crystallize many DNA fragments from several laboratories have resulted in a considerable amount of data related to the crystallization conditions for DNA molecules. Various factors such as the types of metal ion, precipitant, buffer and pH all play important roles in obtaining suitable crystals. We have also analyzed the packings of DNA molecules in the crystal lattice and found that they can be arranged into four different general categories. Those four types of packing interactions are: (1) base-base stacking plus intermolecular hydrogen bonds such as in the crystals of Z-DNA, daunomycin/DNA complex, triostin A/DNA complex, etc.; (2) base pair/A-DNA minor groove stacking, as in several DNA oligomer crystals in the A-DNA conformation; (3) guanine-guanine pairing in the minor groove of B-DNA dodecamers; (4) miscellaneous hydrogen bonding and stacking interactions. Many of those intermolecular interactions are examined in details and their possible biological relevance is discussed.

  10. Effects of impurities on crystal growth in fructose crystallization

    NASA Astrophysics Data System (ADS)

    Chu, Y. D.; Shiau, L. D.; Berglund, K. A.

    1989-10-01

    The influence of impurities on the crystallization of anhydrous fructose from aqueous solution was studied. The growth kinetics of fructose crystals in the fructose-water-glucose and fructose-water-difructose dianhydrides systems were investigated using photomicroscopic contact nucleation techniques. Glucose is the major impurity likely to be present in fructose syrup formed during corn wet milling, while several difructose dianhydrides are formed in situ under crystallization conditions and have been proposed as a cause in the decrease of overall yields. Both sets of impurities were found to cause inhibition of crystal growth, but the mechanisms responsible in each case are different. It was found that the presence of glucose increases the solubility of fructose in water and thus lowers the supersaturation of the solution. This is probably the main effect responsible for the decrease of crystal growth. Since the molecular structures of difructose dianhydrides are similar to that of fructose, they are probably "tailor-made" impurities. The decrease of crystal growth is probably caused by the incorporation of these impurities into or adsorption to the crystal surface which would accept fructose molecules in the orientation that existed in the difructose dianhydride.

  11. Prevalence of CYP2D6*2, CYP2D6*4, CYP2D6*10, and CYP3A5*3 in Thai breast cancer patients undergoing tamoxifen treatment

    PubMed Central

    Charoenchokthavee, Wanaporn; Panomvana, Duangchit; Sriuranpong, Virote; Areepium, Nutthada

    2016-01-01

    Background Tamoxifen (TAM) is used in breast cancer treatment, but interindividual variabilities in TAM-metabolizing enzymes exist and have been linked to single nucleotide polymorphisms in the respective encoding genes. The different alleles and genotypes of these genes have been presented for Caucasians and Asians. This study aimed to explore the prevalence of the incomplete functional alleles and genotypes of the CYP2D6 and CYP3A5 genes in Thai breast cancer patients undergoing TAM treatment. Patients and methods In total, 134 Thai breast cancer patients were randomly invited to join the Thai Tamoxifen Project. Their blood samples were collected and extracted for individual DNA. The alleles and genotypes were determined by real-time polymerase chain reaction with TaqMan® Drug Metabolism Genotyping Assays. Results The patients were aged from 27.0 years to 82.0 years with a body mass index range from 15.4 to 40.0, with the majority (103/134) in the early stage (stages 0–II) of breast cancer. The median duration of TAM administration was 17.2 months (interquartile range 16.1 months). Most (53%) of the patients were premenopausal with an estrogen receptor (ER) and progesterone receptor (PR) status of ER+/PR+ (71.7%), ER+/PR− (26.9%), ER−/PR+ (0.7%), and ER−/PR− (0.7%). The allele frequencies of CYP2D6*1, CYP2D6*2, CYP2D6*4, CYP2D6*10, CYP3A5*1, and CYP3A5*3 were 72.9%, 3.2%, 1.1%, 22.8%, 37.3%, and 62.7%, respectively, while the genotype frequencies of CYP2D6*1/*1, CYP2D6*1/*2, CYP2D6*2/*2, CYP2D6*4/*4, CYP2D6*1/*10, CYP2D6*2/*10, CYP2D6*4/*10, CYP2D6*10/*10, CYP3A5*1/*1, CYP3A5*1/*3, and CYP3A5*3/*3 were 9.7%, 2.2%, 3.7%, 1.5%, 15.7%, 9.7%, 3.7%, 53.7%, 13.4%, 47.8%, and 38.8%, respectively. Conclusion The majority (97.8%) of Thai breast cancer patients undergoing TAM treatment carry at least one incomplete functional allele, including 20.9% of the patients who carry only incomplete functional alleles for both the CYP2D6 and CYP3A5 genes. This research

  12. DDA Computations of Porous Aggregates with Forsterite Crystals: Effects of Crystal Shape and Crystal Mass Fraction

    NASA Astrophysics Data System (ADS)

    Wooden, Diane H.; Lindsay, Sean S.; Harker, David; Woodward, Charles; Kelley, Michael S. P.; Kolokolova, Ludmilla

    2015-08-01

    Porous aggregate grains are commonly found in cometary dust samples and are needed to model cometary IR spectral energy distributions (SEDs). Models for thermal emissions from comets require two forms of silicates: amorphous and crystalline. The dominant crystal resonances observed in comet SEDs are from Forsterite (Mg2SiO4). The mass fractions that are crystalline span a large range from 0.0 ≤ fcrystal ≤ 0.74. Radial transport models that predict the enrichment of the outer disk (>25 AU at 1E6 yr) by inner disk materials (crystals) are challenged to yield the highend-range of cometary crystal mass fractions. However, in current thermal models, Forsterite crystals are not incorporated into larger aggregate grains but instead only are considered as discrete crystals. A complicating factor is that Forsterite crystals with rectangular shapes better fit the observed spectral resonances in wavelength (11.0-11.15 μm, 16, 19, 23.5, 27, and 33 μm), feature asymmetry and relative height (Lindley et al. 2013) than spherically or elliptically shaped crystals. We present DDA-DDSCAT computations of IR absorptivities (Qabs) of 3 μm-radii porous aggregates with 0.13 ≤ fcrystal ≤ 0.35 and with polyhedral-shaped Forsterite crystals. We can produce crystal resonances with similar appearance to the observed resonances of comet Hale-Bopp. Also, a lower mass fraction of crystals in aggregates can produce the same spectral contrast as a higher mass fraction of discrete crystals; the 11µm and 23 µm crystalline resonances appear amplified when crystals are incorporated into aggregates composed otherwise of spherically shaped amorphous Fe-Mg olivines and pyroxenes. We show that the optical properties of a porous aggregate is not linear combination of its monomers, so aggregates need to be computed. We discuss the consequence of lowering comet crystal mass fractions by modeling IR SEDs with aggregates with crystals, and the implications for radial transport models of our

  13. Cloning, purification, crystallization and X-ray crystallographic analysis of Ignicoccus hospitalis neelaredoxin.

    PubMed

    Pinho, Filipa G; Romão, Célia V; Pinto, Ana F; Saraiva, Lígia M; Huber, Harald; Matias, Pedro M; Teixeira, Miguel; Bandeiras, Tiago M

    2010-05-01

    Superoxide reductases (SORs) are metalloproteins which constitute the most recently identified oxygen-detoxification system in anaerobic and microaerobic bacteria and archaea. SORs are involved in scavenging superoxide radicals from the cell by catalyzing the reduction of superoxide ({\\rm O}_{2};{\\bullet -}) to hydrogen peroxide and are characterized by a catalytic nonhaem iron centre coordinated by four histidine ligands and one cysteine ligand. Ignicoccus hospitalis, a hyperthermophilic crenarchaeon, is known to have a neelaredoxin-type SOR that keeps toxic oxygen species levels under control. Blue crystals of recombinant I. hospitalis oxidized neelaredoxin (14.1 kDa, 124 residues) were obtained. These crystals diffracted to 2.4 A resolution in-house at room temperature and belonged to the hexagonal space group P6(2)22 or P6(4)22, with unit-cell parameters a = b = 108, c = 64 A. Cell-content analysis indicated the presence of one monomer in the asymmetric unit. PMID:20445270

  14. Crystal-field effects in fluoride crystals for optical refrigeration

    SciTech Connect

    Hehlen, Markus P

    2010-01-01

    The field of optical refrigeration of rare-earth-doped solids has recently seen an important breakthrough. The cooling of a YLiF{sub 4} (YLF) crystal doped with 5 mol% Yb3+ to 155 K by Seletskiy et al [NPhot] has surpassed the lowest temperatures ({approx}170 K for {approx}100 mW cooling capacity) that are practical with commercial multi-stage thermoelectric coolers (TEC) [Glaister]. This record performance has advanced laser cooling into an application relevant regime and has put first practical optical cryocoolers within reach. The result is also relevant from a material perspective since for the first time, an Yb3+-doped crystal has outperformed an Yb3+-doped glass. The record temperature of 208 K was held by the Yb3+-doped fluorozirconate glass ZBLAN. Advanced purification and glass fabrication methods currently under development are expected to also advance ZBLAN:Yb3+ to sub-TEC temperatures. However, recent achievements with YLF:Yb3+ illustrate that crystalline materials may have two potentially game-changing advantajes over glassy materials. First, the crystalline environment reduces the inhomogeneous broadening of the Yb3+ electronic transitions as compared to a glassy matrix. The respective sharpening of the crystal-field transitions increases the peak absorption cross section at the laser excitation wavelength and allows for more efficient pumping of the Yb3+ ions, particularly at low temperatures. Second, many detrimental impurities present in the starting materials tend to be excluded from the crystal during its slow growth process, in contrast to a glass where all impurities present in the starting materials are included in the glass when it is formed by temperature quenching a melt. The ultra high purity required for laser cooling materials [PRB] therefore may be easier to realize in crystals than in glasses. Laser cooling occurs by laser excitation of a rare-earth ion followed by anti-Stokes luminescence. Each such laser-cooling cycle extracts

  15. Spherical colloidal photonic crystals.

    PubMed

    Zhao, Yuanjin; Shang, Luoran; Cheng, Yao; Gu, Zhongze

    2014-12-16

    CONSPECTUS: Colloidal photonic crystals (PhCs), periodically arranged monodisperse nanoparticles, have emerged as one of the most promising materials for light manipulation because of their photonic band gaps (PBGs), which affect photons in a manner similar to the effect of semiconductor energy band gaps on electrons. The PBGs arise due to the periodic modulation of the refractive index between the building nanoparticles and the surrounding medium in space with subwavelength period. This leads to light with certain wavelengths or frequencies located in the PBG being prohibited from propagating. Because of this special property, the fabrication and application of colloidal PhCs have attracted increasing interest from researchers. The most simple and economical method for fabrication of colloidal PhCs is the bottom-up approach of nanoparticle self-assembly. Common colloidal PhCs from this approach in nature are gem opals, which are made from the ordered assembly and deposition of spherical silica nanoparticles after years of siliceous sedimentation and compression. Besides naturally occurring opals, a variety of manmade colloidal PhCs with thin film or bulk morphology have also been developed. In principle, because of the effect of Bragg diffraction, these PhC materials show different structural colors when observed from different angles, resulting in brilliant colors and important applications. However, this angle dependence is disadvantageous for the construction of some optical materials and devices in which wide viewing angles are desired. Recently, a series of colloidal PhC materials with spherical macroscopic morphology have been created. Because of their spherical symmetry, the PBGs of spherical colloidal PhCs are independent of rotation under illumination of the surface at a fixed incident angle of the light, broadening the perspective of their applications. Based on droplet templates containing colloidal nanoparticles, these spherical colloidal PhCs can be

  16. Liquid crystal filled diffraction gratings

    NASA Astrophysics Data System (ADS)

    Jepsen, Mary Lou

    1997-12-01

    Liquid crystal technology is becoming increasingly important for flat displays in electronics, computers and TV. Most liquid crystal displays currently made have as their basic unit, two flat surfaces each coated with a transparent, conductive layer, between which a thin layer of liquid crystals is sandwiched. The work detailed in this dissertation is based on a modification of the basic liquid crystal unit and studies the properties of structures which consist of certain anisotropic liquid crystals confined between a flat substrate and a corrugated one, each substrate being transparent and having a thin trans-parent conductive coating. Without an applied electric field, the refractive indices of the liquid crystal and corrugated substrate do not match, and thus strong diffraction occurs. When an electric field is applied to the device, the liquid crystals are re-oriented so that the refractive indices now match, and the device behaves as a uniform slab of homogeneous material producing no diffraction. Rigorous coupled wave analysis was developed to design the ideal devices and analyze the performance of our experimental ones. 99% diffraction efficiencies in single wavelength polarized illumination are shown to be possible with this class of devices. The best device we fabricated showed a 62% distraction efficiency, as our fabrication process roughened the top surface of the device so that (≃30%) of the incident light was lost to scatter. Several new fabrication processes are proposed to eliminate this scatter problem, and that details of fabrication processes thus far attempted are outlined.

  17. Spatial filtering with photonic crystals

    SciTech Connect

    Maigyte, Lina; Staliunas, Kestutis

    2015-03-15

    Photonic crystals are well known for their celebrated photonic band-gaps—the forbidden frequency ranges, for which the light waves cannot propagate through the structure. The frequency (or chromatic) band-gaps of photonic crystals can be utilized for frequency filtering. In analogy to the chromatic band-gaps and the frequency filtering, the angular band-gaps and the angular (spatial) filtering are also possible in photonic crystals. In this article, we review the recent advances of the spatial filtering using the photonic crystals in different propagation regimes and for different geometries. We review the most evident configuration of filtering in Bragg regime (with the back-reflection—i.e., in the configuration with band-gaps) as well as in Laue regime (with forward deflection—i.e., in the configuration without band-gaps). We explore the spatial filtering in crystals with different symmetries, including axisymmetric crystals; we discuss the role of chirping, i.e., the dependence of the longitudinal period along the structure. We also review the experimental techniques to fabricate the photonic crystals and numerical techniques to explore the spatial filtering. Finally, we discuss several implementations of such filters for intracavity spatial filtering.

  18. Pressure sensor using liquid crystals

    NASA Technical Reports Server (NTRS)

    Parmar, Devendra S. (Inventor); Holmes, Harlan K. (Inventor)

    1994-01-01

    A pressure sensor includes a liquid crystal positioned between transparent, electrically conductive films (18 and 20), that are biased by a voltage (V) which induces an electric field (E) that causes the liquid crystal to assume a first state of orientation. Application of pressure (P) to a flexible, transparent film (24) causes the conductive film (20) to move closer to or farther from the conductive film (18), thereby causing a change in the electric field (E'(P)) which causes the liquid crystal to assume a second state of orientation. Polarized light (P.sub.1) is directed into the liquid crystal and transmitted or reflected to an analyzer (A or 30). Changes in the state of orientation of the liquid crystal induced by applied pressure (P) result in a different light intensity being detected at the analyzer (A or 30) as a function of the applied pressure (P). In particular embodiments, the liquid crystal is present as droplets (10) in a polymer matrix (12) or in cells (14) in a polymeric or dielectric grid (16) material in the form of a layer (13) between the electrically conductive films (18 and 20). The liquid crystal fills the open wells in the polymer matrix (12) or grid (16) only partially.

  19. Crystallization of copper metaphosphate glass

    NASA Technical Reports Server (NTRS)

    Bae, Byeong-Soo; Weinberg, Michael C.

    1993-01-01

    The effect of the valence state of copper in copper metaphosphate glass on the crystallization behavior and glass transition temperature has been investigated. The crystallization of copper metaphosphate is initiated from the surface and its main crystalline phase is copper metaphosphate (Cu(PO)3),independent of the (Cu sup 2+)/(Cu(total)). However, the crystal morphology, the relative crystallization rates, and their temperature dependences are affected by the (Cu sup 2+)/(Cu (total)) ratio in the glass. On the other hand, the totally oxidized glass crystallizes from all over the surface. The relative crystallization rate of the reduced glass to the totally oxidized glass is large at low temperature, but small at high temperature. The glass transition temperature of the glass increases as the (Cu sup 2+)/(Cu(total)) ratio is raised. It is also found that the atmosphere used during heat treatment does not influence the crystallization of the reduced glass, except for the formation of a very thin CuO surface layer when heated in air.

  20. Towards improved CZT crystals.

    SciTech Connect

    Zimmerman, Jonathan A.; Ward, Donald K.; Doty, F. Patrick; Wong, Bryan Matthew; Zhou, Xiao Wang

    2010-03-01

    Past experimental efforts to improve CZT crystals for gamma spectrometer applications have been focused on reducing micron-scale defects such as tellurium inclusions and precipitates. While these micron-scale defects are important, experiments have shown that the micron-scale variations in transport can be caused by the formation and aggregation of atomic-scale defects such as dislocations and point defect clusters. Moreover, dislocation cells have been found to act as nucleation sites that cause the formation of large precipitates. To better solve the uniformity problem of CZT, atomic-scale defects must be understood and controlled. To this end, we have begun to develop an atomistic model that can be used to reveal the effects of small-scale defects and to guide experiments for reducing both atomic- and micron-scale (tellurium inclusions and precipitates) defects. Our model will be based upon a bond order potential (BOP) to enable large-scale molecular dynamics simulations of material structures at a high-fidelity level that was not possible with alternative methods. To establish how BOP improves over existing approaches, we report here our recent work on the assessment of two representative literature CdTe interatomic potentials that are currently widely used: the Stillinger-Weber (SW) potential and the Tersoff-Rockett (TR) potential. Careful examinations of phases, defects, and surfaces of the CdTe system were performed. We began our study by using both potentials to evaluate the lattice constants and cohesive energies of various Cd, Te, and CdTe phases including dimer, trimer, chain, square, rhomboid, tetrahedron, diamond-cubic (dc), simple-cubic (sc), body-centered-cubic (bcc), face-centered cubic (fcc), hexagonal-close-packed (hcp), graphite-sheet, A8, zinc-blende (zb), wurtzite (wz), NaCl, CsCl, etc. We then compared the results with our calculations using the density functional theory (DFT) quantum mechanical method. We also evaluated the suitability of the