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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

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

    2013-04-30

    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.

  2. Light-induced conformational change and product release in DNA repair by (6-4) photolyase

    PubMed Central

    Kondoh, Masato; Hitomi, Kenichi; Yamamoto, Junpei; Todo, Takeshi; Iwai, Shigenori; Getzoff, Elizabeth D.; Terazima, Masahide

    2012-01-01

    Proteins of the cryptochrome/photolyase family share high sequence similarities, common folds and the flavin adenine dinucleotide (FAD) cofactor, but exhibit diverse physiological functions. Mammalian cryptochromes are essential regulatory components of the 24-hour circadian clock, whereas (6-4) photolyases recognize and repair UV-induced DNA damage by using light energy absorbed by FAD. Despite increasing knowledge about physiological functions from genetic analyses, the molecular mechanisms and conformational dynamics involved in clock signaling and DNA repair remain poorly understood. The (6-4) photolyase, which has strikingly high similarity to human clock cryptochromes, is a prototypic biological system to study conformational dynamics of cryptochrome/photolyase family proteins. The entire light-dependent DNA repair process for (6-4) photolyase can be reproduced in a simple in vitro system. To decipher pivotal reactions of the common FAD cofactor, we accomplished time resolved measurements of radical formation, diffusion, and protein conformational changes during light-dependent repair by full-length (6-4) photolyase on DNA carrying a single UV-induced damage. The (6-4) photolyase by itself showed significant volume changes after blue light activation, indicating protein conformational changes distant from the flavin cofactor. A drastic diffusion change was observed only in the presence of both (6-4) photolyase and damaged DNA, and not for (6-4) photolyase alone or with undamaged DNA. Thus, we propose that this diffusion change reflects the rapid (50 μs time constant) dissociation of the protein from the repaired DNA product. Conformational changes with such fast turnover would likely enable DNA repair photolyases to access the entire genome in cells. PMID:21271694

  3. Role of the carbonyl group of the (6-4) photoproduct in the (6-4) photolyase reaction.

    PubMed

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

    2009-10-01

    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 analogue 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. 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 analogue 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. On the basis of these results, we discuss the repair mechanism. PMID:19715341

  4. Induction of (6-4) photolyase gene transcription by blue light in Xenopus A6 cells.

    PubMed

    Fukushima, Noriko; Naito, Yutaka; Ryoji, Masaru

    2009-05-29

    (6-4) photolyase repairs pyrimidine-pyrimidone (6-4) photoproducts generated in DNA upon UV light exposure. We studied the effects of blue light on the expression of this gene in Xenopus A6 cells. Exposure of the cells to blue light, but not red light, for 12h resulted in more than 20-fold increase of the (6-4) photolyase mRNA. By contrast, levels of the other two photolyase mRNAs, i.e., those for CPD photolyase and cryptochrome DASH, did not change significantly. Oxygen radicals presumably generated within the cells upon exposure to blue light were not the cause of the induction, since addition of neither hydrogen peroxide nor a photosensitizer, phenol red, in the culture medium increased the (6-4) photolyase mRNA level. These results support the possibility that the expression of (6-4) photolyase may be regulated by a mechanism involving an as yet ill-defined blue light photoreceptor in the peripheral tissues of Xenopus. PMID:19345672

  5. Role of Lys281 in the Dunaliella salina (6-4) photolyase reaction.

    PubMed

    Zhang, Feiwei; Xu, Hui; Cao, Yu; Wen, Tao; Lin, Jiafu; Ma, Gen; Qiao, Dairong; Cao, Yi

    2011-01-01

    His(354) and His(358), two highly conserved histidines in Xenopus laevis (6-4) photolyase [equivalent to His(401) and His(405), in Dunaliella salina (6-4) photolyase], are critical for photoreactivation. They act as a base and an acid, respectively. However, the remaining high repair activity when the pH value is higher than the pKa of histidine suggests the involvement of other basic amino acids in photoreactivation. According to the results of in vivo enzyme assay and three-dimension structural model of Dunaliella salina (6-4) photolyase we hypothesized that Lys(281) might be involved in the photoreactivation over the pH range from 10.0 to 11.0. To test this, we generated two mutant forms of the (6-4) photolyase, K281G and K281R mutant, by overlap extension polymerase chain reaction, and performed the enzyme assay with these mutants. From these results we conclude that the Lys(281), which is highly conserved in (6-4) photolyases, participates in the photoreactivation and acts as an acid to donate a proton to His(401) when the environmental pH is higher than the pKa value of histidine.

  6. 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.

  7. Repair of the (6-4) photoproduct by DNA photolyase requires two photons.

    PubMed

    Yamamoto, Junpei; Martin, Ryan; Iwai, Shigenori; Plaza, Pascal; Brettel, Klaus

    2013-07-15

    It takes two (photons) to tango: Single-turnover flash experiments showed that the flavoenzyme (6-4) photolyase uses a successive two-photon mechanism to repair the UV-induced T(6-4)T lesion in DNA (see picture). The intermediate (X) formed by the first photoreaction is likely to be the oxetane-bridged dimer T(ox)T. The enzyme could stabilize the normally short-lived T(ox)T, allowing repair to be completed by the second photoreaction. PMID:23761226

  8. 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.

  9. 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

  10. FTIR study of light-dependent activation and DNA repair processes of (6-4) photolyase.

    PubMed

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

    2011-05-10

    The UV component of sunlight threatens all life on the earth by damaging DNA. The photolyase (PHR) DNA repair proteins maintain genetic integrity by harnessing blue light to restore intact bases from the major UV-induced photoproducts, cyclobutane pyrimidine dimers (CPD), and (6-4) photoproducts ((6-4) PPs). The (6-4) PHR must catalyze not only covalent bond cleavage between two pyrmidine bases but also hydroxyl or amino group transfer from the 5'- to 3'-pyrimidine base, requiring a more complex mechanism than that postulated for CPD PHR. In this paper, we apply Fourier transform infrared (FTIR) spectroscopy to (6-4) PHR and report difference FTIR spectra that correspond to its photoactivation, substrate binding, and light-dependent DNA repair processes. The presence of DNA carrying a single (6-4) PP uniquely influences vibrations of the protein backbone and a protonated carboxylic acid, whereas photoactivation produces IR spectral changes for the FAD cofactor and the surrounding protein. Difference FTIR spectra for the light-dependent DNA damage repair reaction directly show significant DNA structural changes in the (6-4) lesion and the neighboring phosphate group. Time-dependent illumination of samples with different enzyme:substrate stoichiometries successfully distinguished signals characteristic of structural changes in the protein and the DNA resulting from binding and catalysis. PMID:21462921

  11. 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

  12. 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

  13. Fourier-transform infrared study of the photoactivation process of Xenopus (6-4) photolyase.

    PubMed

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

    2012-07-24

    Photolyases (PHRs) are blue light-activated DNA repair enzymes that maintain genetic integrity by reverting UV-induced photoproducts into normal bases. The flavin adenine dinucleotide (FAD) chromophore of PHRs has four different redox states: oxidized (FAD(ox)), 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: FAD(ox) 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 FAD(ox) 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 by 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), a 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 these FTIR observations. PMID:22747528

  14. 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.

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

    PubMed Central

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

    2011-01-01

    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

  16. 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

  17. 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.

  18. 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

  19. Light-induced activation of class II cyclobutane pyrimidine dimer photolyases.

    PubMed

    Okafuji, Asako; Biskup, Till; Hitomi, Kenichi; Getzoff, Elizabeth D; Kaiser, Gebhard; Batschauer, Alfred; Bacher, Adelbert; Hidema, Jun; Teranishi, Mika; Yamamoto, Kazuo; Schleicher, Erik; Weber, Stefan

    2010-05-01

    Light-induced activation of class II cyclobutane pyrimidine dimer (CPD) photolyases of Arabidopsis thaliana and Oryza sativa has been examined by UV/Vis and pulsed Davies-type electron-nuclear double resonance (ENDOR) spectroscopy, and the results compared with structure-known class I enzymes, CPD photolyase and (6-4) photolyase. By ENDOR spectroscopy, the local environment of the flavin adenine dinucleotide (FAD) cofactor is probed by virtue of proton hyperfine couplings that report on the electron-spin density at the positions of magnetic nuclei. Despite the amino-acid sequence dissimilarity as compared to class I enzymes, the results indicate similar binding motifs for FAD in the class II photolyases. Furthermore, the photoreduction kinetics starting from the FAD cofactor in the fully oxidized redox state, FAD(ox), have been probed by UV/Vis spectroscopy. In Escherichia coli (class I) CPD photolyase, light-induced generation of FADH from FAD(ox), and subsequently FADH(-) from FADH, proceeds in a step-wise fashion via a chain of tryptophan residues. These tryptophans are well conserved among the sequences and within all known structures of class I photolyases, but completely lacking from the equivalent positions of class II photolyase sequences. Nevertheless, class II photolyases show photoreduction kinetics similar to those of the class I enzymes. We propose that a different, but also effective, electron-transfer cascade is conserved among the class II photolyases. The existence of such electron transfer pathways is supported by the observation that the catalytically active fully reduced flavin state obtained by photoreduction is maintained even under oxidative conditions in all three classes of enzymes studied in this contribution. PMID:20227927

  20. PHL1 of Cercospora Zeae-Maydis Encodes a Member of the Photolyase/Cryptochrome Family Involved in UV Protection and Fungal Development

    Technology Transfer Automated Retrieval System (TEKTRAN)

    DNA photolyases harvest light energy to repair genomic lesions induced by UV light, whereas cryptochromes, paralogs of 6-4 DNA photolyases, have evolved in plants and animals as blue-light photoreceptors that function exclusively in signal transduction. Although members of the cryptochrome/photolyas...

  1. Characterization of Arabidopsis photolyase enzymes and analysis of their role in protection from ultraviolet-B radiation.

    PubMed

    Waterworth, Wanda M; Jiang, Qing; West, Christopher E; Nikaido, M; Bray, Clifford M

    2002-05-01

    DNA photolyases are enzymes which mediate the light-dependent repair (photoreactivation) of UV-induced damage products in DNA by direct reversal of base damage rather than via excision repair pathways. Arabidopsis thaliana contains two photolyases specific for photoreactivation of either cyclobutane pyrimidine dimers (CPDs) or pyrimidine (6-4)pyrimidones (6-4PPs), the two major UV-B-induced photoproducts in DNA. Reduced FADH and a reduced pterin were identified as cofactors of the native Arabidopsis CPD photolyase protein. This is the first report of the chromophore composition of any native class II CPD photolyase protein to our knowledge. CPD photolyase protein levels vary between tissues and with leaf age and are highest in flowers and leaves of 3-5-week-old Arabidopsis plants. White light or UV-B irradiation induces CPD photolyase expression in Arabidopsis tissues. This contrasts with the 6-4PP photolyase protein which is constitutively expressed and not regulated by either white or UV-B light. Arabidopsis CPD and 6-4PP photolyase enzymes can remove UV-B-induced photoproducts from DNA in planta even when plants are grown under enhanced levels of UV-B irradiation and at elevated temperatures although the rate of removal of CPDs is slower at high growth temperatures. These studies indicate that Arabidopsis possesses the photorepair capacity to respond effectively to increased UV-B-induced DNA damage under conditions predicted to be representative of increases in UV-B irradiation levels at the Earth's surface and global warming in the twenty-first century.

  2. Eukaryotic class II cyclobutane pyrimidine dimer photolyase structure reveals basis for improved ultraviolet tolerance in plants.

    PubMed

    Hitomi, Kenichi; Arvai, Andrew S; Yamamoto, Junpei; Hitomi, Chiharu; Teranishi, Mika; Hirouchi, Tokuhisa; Yamamoto, Kazuo; Iwai, Shigenori; Tainer, John A; Hidema, Jun; Getzoff, Elizabeth D

    2012-04-01

    Ozone depletion increases terrestrial solar ultraviolet B (UV-B; 280-315 nm) radiation, intensifying the risks plants face from DNA damage, especially covalent cyclobutane pyrimidine dimers (CPD). Without efficient repair, UV-B destroys genetic integrity, but plant breeding creates rice cultivars with more robust photolyase (PHR) DNA repair activity as an environmental adaptation. So improved strains of Oryza sativa (rice), the staple food for Asia, have expanded rice cultivation worldwide. Efficient light-driven PHR enzymes restore normal pyrimidines to UV-damaged DNA by using blue light via flavin adenine dinucleotide to break pyrimidine dimers. Eukaryotes duplicated the photolyase gene, producing PHRs that gained functions and adopted activities that are distinct from those of prokaryotic PHRs yet are incompletely understood. Many multicellular organisms have two types of PHR: (6-4) PHR, which structurally resembles bacterial CPD PHRs but recognizes different substrates, and Class II CPD PHR, which is remarkably dissimilar in sequence from bacterial PHRs despite their common substrate. To understand the enigmatic DNA repair mechanisms of PHRs in eukaryotic cells, we determined the first crystal structure of a eukaryotic Class II CPD PHR from the rice cultivar Sasanishiki. Our 1.7 Å resolution PHR structure reveals structure-activity relationships in Class II PHRs and tuning for enhanced UV tolerance in plants. Structural comparisons with prokaryotic Class I CPD PHRs identified differences in the binding site for UV-damaged DNA substrate. Convergent evolution of both flavin hydrogen bonding and a Trp electron transfer pathway establish these as critical functional features for PHRs. These results provide a paradigm for light-dependent DNA repair in higher organisms. PMID:22170053

  3. The class III cyclobutane pyrimidine dimer photolyase structure reveals a new antenna chromophore binding site and alternative photoreduction pathways.

    PubMed

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

    2015-05-01

    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.

  4. 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.

  5. Synthesis and crystal structure of Bi{sub 6.4}Pb{sub 0.6}P{sub 2}O{sub 15.2}

    SciTech Connect

    Arumugam, N.; Lynch, V.; Steinfink, H.

    2007-10-15

    Bi{sub 6.4}Pb{sub 0.6}P{sub 2}O{sub 15.2} is a polymorph of structures with the general stoichiometry Bi{sub 6+x}M{sub 1-x}P{sub 2}O{sub 15+y}. However, unlike previously published structures that consist of layers formed by edge sharing OBi{sub 4} tetrahedra bridged by PO{sub 4} and TO{sub 6} (T=transition metal) tetrahedra and octahedra the title compound's structure is more complex. It is monoclinic, C2, a=19.4698(4) A, b=11.3692(3) A, c=16.3809(5) A, {beta}=101.167(1){sup o}, Z=10. Single-crystal X-ray diffraction data were refined by least squares on F{sup 2} converging to R{sub 1}=0.0387, wR{sub 2}=0.0836 for 7023 intensities. The crystal twins by mirror reflection across (001) as the twin plane and twin component 1 equals 0.74(1). Oxygen ions are in tetrahedral coordination to four metal ions and the O(BiPb){sub 4} units share corners to form layers that are part of the three-dimensional framework. Eight oxygen ions form a cube around the two crystallographically independent Pb ions. Pb-O bond lengths vary from 2.265(14) to 2.869(14) A. Pairs of such cubes share an edge to form a Pb{sub 3}O{sub 20} unit. The two oxygen ions from the unshared edges are part of irregular Bi polyhedra. Other oxygen ions of Bi polyhedra are part only of O(BiPb){sub 4} units, and some oxygen ions of the polyhedra are also part of PO{sub 4} tetrahedra. One, two, three and or four PO{sub 4} moieties are connected to the Bi polyhedra. Bi-O bond lengths {<=}3.1 A vary from 2.090(12) to 3.07(3) A. The articulations of Pb cubes, Bi polyhedra and PO{sub 4} tetrahedra link into the three-dimensional structure. - Graphical abstract: View of the structure of Bi{sub 6.4}Pb{sub 0.6}P{sub 2}O{sub 15.2} parallel to the b-axis.

  6. A novel lyotropic liquid crystal formed by triphilic star-polyphiles: hydrophilic/oleophilic/fluorophilic rods arranged in a 12.6.4. tiling.

    PubMed

    de Campo, Liliana; Varslot, Trond; Moghaddam, Minoo J; Kirkensgaard, Jacob J K; Mortensen, Kell; Hyde, Stephen T

    2011-02-28

    Triphilic star-polyphiles are short-chain oligomeric molecules with a radial arrangement of hydrophilic, hydrocarbon and fluorocarbon chains linked to a common centre. They form a number of liquid crystalline structures when mixed with water. In this contribution we focus on a hexagonal liquid crystalline mesophase found in star-polyphiles as compared to the corresponding double-chain surfactant to determine whether the hydrocarbon and fluorocarbon chains are in fact demixed in these star-polyphile systems, or whether both hydrocarbon and fluorocarbon chains are miscible, leading to a single hydrophobic domain, making the star-polyphile effectively amphiphilic. We report SANS contrast variation data that are compatible only with the presence of three distinct immiscible domains within this hexagonal mesophase, confirming that these star-polyphile liquid crystals are indeed hydrophilic/oleophilic/fluorophilic 3-phase systems. Quantitative comparison with scattering simulations shows that the experimental data are in very good agreement with an underlying 2D columnar (12.6.4) tiling. As in a conventional amphiphilic hexagonal mesophase, the hexagonally packed water channels (dodecagonal prismatic domains) are embedded in a hydrophobic matrix, but that matrix is split into oleophilic hexagonal prismatic domains and fluorophilic quadrangular prismatic domains.

  7. What is adenine doing in photolyase?

    PubMed

    Acocella, Angela; Jones, Garth A; Zerbetto, Francesco

    2010-03-25

    The short answer to the title question is that it acts as an electrostatic bouncer that shoves the charge flow from flavin toward the DNA lesion that photolyase repairs. This explanation is provided by an explicit time-dependent quantum mechanical approach, which is used to investigate the electron transfer process that triggers the repair mechanism. The transfer occurs from the flavin photolyase cofactor to the cyclobutane ring of DNA, previously formed by light-induced cycloaddition of adjacent pyrimidine bases. The electron wave function dynamics accurately accounts for the previously proposed mechanism of transfer via the terminal methyl group of the flavin moiety present in the catalytic electron-donor cofactor, FADH(-), which also contains adenine. This latter moiety, which has often been assumed to be present mainly for structural reasons, instantaneously modifies the interaction between acceptor and donor by a variation of the electrostatic interactions so that the presence of its local atomic charges is necessary to trigger the transfer. In principle, knowledge of the details of the electron transfer dynamics and of the important role of polarization effects can be exploited to improve the efficiency of the repair mechanism in artificial systems.

  8. 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

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Study of Proton Transfer in E. Coli Photolyase

    NASA Astrophysics Data System (ADS)

    Zhang, Meng; Liu, Zheyun; Li, Jiang; Wang, Lijuan; Zhong, Dongping

    2013-06-01

    Photolyase is a flavoprotein which utilizes blue-light energy to repair UV-light damaged DNA. The catalytic cofactor of photolyase, flavin adenine dinucleotide (FAD), has five redox states. Conversions between these redox states involve intraprotein electron transfer and proton transfer, which play important role in protein function. Here we systematically studied proton transfer in E. coli photolyase in vitro by site-directed mutagenesis and steady-state UV-vis spectroscopy, and proposed the proton channel in photolyase. We found that in the mutant N378C/E363L, proton channel was completely eliminated when DNA substrate was bound to the protein. Proton is suggested to be transported from protein surface to FAD by two pathways: the proton relay pathway through E363 and surface water to N378 and then to FAD; and the proton diffusion pathway through the substrate binding pocket. In addition, reaction kinetics of conversions between the redox states was then solved and redox potentials of the redox states were determined. These results described a complete picture of FAD redox changes, which are fundamental to the functions of all flavoenzymes.

  15. A new class of DNA photolyases present in various organisms including aplacental mammals.

    PubMed Central

    Yasui, A; Eker, A P; Yasuhira, S; Yajima, H; Kobayashi, T; Takao, M; Oikawa, A

    1994-01-01

    DNA photolyase specifically repairs UV light-induced cyclobutane-type pyrimidine dimers in DNA through a light-dependent reaction mechanism. We have obtained photolyase genes from Drosophila melanogaster (fruit fly), Oryzias latipes (killifish) and the marsupial Potorous tridactylis (rat kangaroo), the first photolyase gene cloned from a mammalian species. The deduced amino acid sequences of these higher eukaryote genes show only limited homology with microbial photolyase genes. Together with the previously cloned Carassius auratus (goldfish) gene they form a separate group of photolyase genes. A new classification for photolyases comprising two distantly related groups is proposed. For functional analysis P.tridactylis photolyase was expressed and purified as glutathione S-transferase fusion protein from Escherichia coli cells. The biologically active protein contained FAD as light-absorbing cofactor, a property in common with the microbial class photolyases. Furthermore, we found in the archaebacterium Methanobacterium thermoautotrophicum a gene similar to the higher eukaryote photolyase genes, but we could not obtain evidence for the presence of a homologous gene in the human genome. Our results suggest a divergence of photolyase genes in early evolution. Images PMID:7813451

  16. Flavin Charge Transfer Transitions Assist DNA Photolyase Electron Transfer

    NASA Astrophysics Data System (ADS)

    Skourtis, Spiros S.; Prytkova, Tatiana; Beratan, David N.

    2007-12-01

    This contribution describes molecular dynamics, semi-empirical and ab-initio studies of the primary photo-induced electron transfer reaction in DNA photolyase. DNA photolyases are FADH--containing proteins that repair UV-damaged DNA by photo-induced electron transfer. A DNA photolyase recognizes and binds to cyclobutatne pyrimidine dimer lesions of DNA. The protein repairs a bound lesion by transferring an electron to the lesion from FADH-, upon photo-excitation of FADH- with 350-450 nm light. We compute the lowest singlet excited states of FADH- in DNA photolyase using INDO/S configuration interaction, time-dependent density-functional, and time-dependent Hartree-Fock methods. The calculations identify the lowest singlet excited state of FADH- that is populated after photo-excitation and that acts as the electron donor. For this donor state we compute conformationally-averaged tunneling matrix elements to empty electron-acceptor states of a thymine dimer bound to photolyase. The conformational averaging involves different FADH--thymine dimer confromations obtained from molecular dynamics simulations of the solvated protein with a thymine dimer docked in its active site. The tunneling matrix element computations use INDO/S-level Green's function, energy splitting, and Generalized Mulliken-Hush methods. These calculations indicate that photo-excitation of FADH- causes a π→π* charge-transfer transition that shifts electron density to the side of the flavin isoalloxazine ring that is adjacent to the docked thymine dimer. This shift in electron density enhances the FADH--to-dimer electronic coupling, thus inducing rapid electron transfer.

  17. Evolution of Mutation Rates: Phylogenomic Analysis of the Photolyase/Cryptochrome Family

    PubMed Central

    Lucas-Lledó, José Ignacio; Lynch, Michael

    2009-01-01

    Photoreactivation, one of the first DNA repair pathways to evolve, is the direct reversal of premutagenic lesions caused by ultraviolet (UV) irradiation, catalyzed by photolyases in a light-dependent, single-enzyme reaction. It has been experimentally shown that photoreactivation prevents UV mutagenesis in a broad range of species. In the absence of photoreactivation, UV-induced photolesions are repaired by the more complex and much less efficient nucleotide excision repair pathway. Despite their obvious beneficial effects, several lineages, including placental mammals, lost photolyase genes during evolution. In this study, we ask why photolyase genes have been lost in those lineages and discuss the significance of these losses in the context of the evolution of the genomic mutation rates. We first perform an extensive phylogenomic analysis of the photolyase/cryptochrome family, to assess what species lack each kind of photolyase gene. Then, we estimate the ratio of nonsynonymous to synonymous substitution rates in several groups of photolyase genes, as a proxy of the strength of purifying natural selection, and we ask whether less evolutionarily constrained photolyase genes are more likely lost. We also review functional data and compare the efficiency of different kinds of photolyases. We find that eukaryotic photolyases are, on average, less evolutionarily constrained than eubacterial ones and that the strength of natural selection is correlated with the affinity of photolyases for their substrates. We propose that the loss of photolyase genes in eukaryotic species may be due to weak natural selection and may result in a deleterious increase of their genomic mutation rates. In contrast, the loss of photolyase genes in prokaryotes may not cause an increase in the mutation rate and be neutral in most cases. PMID:19228922

  18. 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

  19. 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

  20. 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

  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.

  2. 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

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

    PubMed

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

    2008-09-23

    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.

  6. 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

  7. 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.

  8. 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

  9. Computational and experimental investigation of DNA repair protein photolyase interactions with low molecular weight drugs.

    PubMed

    Azizoğlu, Selimcan; Kizilel, Riza; Marušič, Maja; Kavakli, Ibrahim Halil; Erman, Burak; Kizilel, Seda

    2013-07-01

    This paper reports the previously unknown interactions between eight low molecular weight commercially available drugs (130-800 Da) and DNA repair protein photolyase using computational docking simulations and surface plasmon resonance (SPR) experiments. Theoretical dissociation constants, K(d), obtained from molecular docking simulations were compared with the values found from SPR experiments. Among the eight drugs analyzed, computational and experimental values showed similar binding affinities between selected drug and protein pairs. We found no significant differences in binding interactions between pure and commercial forms of the drug lornoxicam and DNA photolyase. Among the eight drugs studied, prednisone, desloratadine, and azelastine exhibited the highest binding affinity (K(d) = 1.65, 2.05, and 8.47 μM, respectively) toward DNA photolyase. Results obtained in this study are promising for use in the prediction of unknown interactions of common drugs with specific proteins such as human clock protein cryptochrome. PMID:23657985

  10. 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

  11. Cleavable substrate containing molecular beacons for the quantification of DNA-photolyase activity.

    PubMed

    Kundu, Lal Mohan; Burgdorf, Lars T; Kleiner, Oliver; Batschauer, Alfred; Carell, Thomas

    2002-11-01

    In order to gain deeper insight into the function and interplay of proteins in cells it is essential to develop methods that allow the profiling of protein function in real time, in solution, in cells, and in cell organelles. Here we report the development of a U-type oligonucleotide (molecular beacon) that contains a fluorophore and a quencher at the tips, and in addition a substrate analogue in the loop structure. This substrate analogue induces a hairpin cleavage in response to enzyme action, which is translated into a fluorescence signal. The molecular beacon developed here was used to characterize DNA-photolyase activity. These enzymes represent a challenge for analytical methods because of their low abundance in cells. The molecular beacon made it possible to measure the activity of purified class I and class II photolyases. Photolyase activity was even detectable in crude cell extracts.

  12. Natural and non-natural antenna chromophores in the DNA photolyase from Thermus thermophilus.

    PubMed

    Klar, Tobias; Kaiser, Gebhard; Hennecke, Ulrich; Carell, Thomas; Batschauer, Alfred; Essen, Lars-Oliver

    2006-11-01

    X-ray crystallographic and functional analysis of the class I DNA photolyase from Thermus thermophilus revealed the binding of flavin mononucleotide (FMN) as an antenna chromophore. The binding mode of FMN closely coincides with the binding of a deazaflavin-like chromophore in the related class I DNA photolyase from Anacystis nidulans. Compared to the R46E mutant, which lacks a conserved arginine in the binding site for the antenna chromophore, the FMN-comprising holophotolyase exhibits an eightfold higher activity at 450 nm. The facile incorporation of the flavin cofactors 8-hydroxy-deazariboflavin and 8-iodo-8-demethyl-riboflavin into the binding site for the antenna chromophore paves the way for wavelength-tuning of the activity spectra of DNA photolyases by using synthetic flavins.

  13. The Cryptochrome/Photolyase Family in aquatic organisms.

    PubMed

    Oliveri, Paola; Fortunato, Antonio E; Petrone, Libero; Ishikawa-Fujiwara, Tomoko; Kobayashi, Yuri; Todo, Takeshi; Antonova, Olga; Arboleda, Enrique; Zantke, Juliane; Tessmar-Raible, Kristin; Falciatore, Angela

    2014-04-01

    The Cryptochrome/Photolyase Family (CPF) represents an ancient group of widely distributed UV-A/blue-light sensitive proteins sharing common structures and chromophores. During the course of evolution, different CPFs acquired distinct functions in DNA repair, light perception and circadian clock regulation. Previous phylogenetic analyses of the CPF have allowed reconstruction of the evolution and distribution of the different CPF super-classes in the tree of life. However, so far only limited information is available from the CPF orthologs in aquatic organisms that evolved in environments harboring great diversity of life forms and showing peculiar light distribution and rhythms. To gain new insights into the evolutionary and functional relationships within the CPF family, we performed a detailed study of CPF members from marine (diatoms, sea urchin and annelid) and freshwater organisms (teleost) that populate diverse habitats and exhibit different life strategies. In particular, we first extended the CPF family phylogeny by including genes from aquatic organisms representative of several branches of the tree of life. Our analysis identifies four major super-classes of CPF proteins and importantly singles out the presence of a plant-like CRY in diatoms and in metazoans. Moreover, we show a dynamic evolution of Cpf genes in eukaryotes with various events of gene duplication coupled to functional diversification and gene loss, which have shaped the complex array of Cpf genes in extant aquatic organisms. Second, we uncover clear rhythmic diurnal expression patterns and light-dependent regulation for the majority of the analyzed Cpf genes in our reference species. Our analyses reconstruct the molecular evolution of the CPF family in eukaryotes and provide a solid foundation for a systematic characterization of novel light activated proteins in aquatic environments. PMID:24568948

  14. 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

  15. 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.

  16. 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 THE TREASURY LIQUORS âTIED-HOUSEâ Scope of Regulations § 6.4 Jurisdictional limits. (a) General. The regulations in this part apply where:...

  17. 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:...

  18. 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:...

  19. 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:...

  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. 42 CFR 6.4 - Covered individuals.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Covered individuals. 6.4 Section 6.4 Public Health... COVERAGE OF CERTAIN GRANTEES AND INDIVIDUALS § 6.4 Covered individuals. (a) Officers and employees of a... if they meet the requirements of section 224(g)(5) of the Act. (c) An individual physician or...

  2. Role of CPI-17 in restoring skin homoeostasis in cutaneous field of cancerization: effects of topical application of a film-forming medical device containing photolyase and UV filters.

    PubMed

    Puig-Butillé, Joan Anton; Malvehy, Josep; Potrony, Miriam; Trullas, Carles; Garcia-García, Francisco; Dopazo, Joaquin; Puig, Susana

    2013-07-01

    Cutaneous field of cancerization (CFC) is caused in part by the carcinogenic effect of the cyclobutane pyrimidine dimers CPD and 6-4 photoproducts (6-4PPs). Photoreactivation is carried out by photolyases which specifically recognize and repair both photoproducts. The study evaluates the molecular effects of topical application of a film-forming medical device containing photolyase and UV filters on the precancerous field in AK from seven patients. Skin improvement after treatment was confirmed in all patients by histopathological and molecular assessment. A gene set analysis showed that skin recovery was associated with biological processes involved in tissue homoeostasis and cell maintenance. The CFC response was associated with over-expression of the CPI-17 gene, and a dependence on the initial expression level was observed (P = 0.001). Low CPI-17 levels were directly associated with pro-inflammatory genes such as TNF (P = 0.012) and IL-1B (P = 0.07). Our results suggest a role for CPI-17 in restoring skin homoeostasis in CFC lesions.

  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. The crystal structure of 6-(4-chloro­phen­yl)-2-(4-methyl­benz­yl)imidazo[2,1-b][1,3,4]thia­diazole-5-carbaldehyde

    PubMed Central

    Sowmya, A.; Anil Kumar, G. N.; Kumar, Sujeet; Karki, Subhas S.

    2016-01-01

    In the title imidazo[2,1-b][1,3,4]thia­diazole derivative, C19H14ClN3OS, the 4-methyl­benzyl and chloro­phenyl rings are inclined to the planar imidazo[2,1-b][1,3,4]thia­diazole moiety (r.m.s. deviation = 0.012 Å) by 64.5 (1) and 3.7 (1)°, respectively. The mol­ecular structure is primarily stabilized by a strong intra­molecular C—H⋯O hydrogen bond, leading to the formation of a pseudo-seven-membered S(7) ring motif, and a short intra­molecular C—H⋯N contact forming an S(5) ring motif. In the crystal, mol­ecules are linked by pairs of C—H⋯S hydrogen bonds, forming inversion dimers. The dimers are linked by C—H⋯O and C—H⋯π inter­actions, forming chains propagating along [110]. PMID:27746941

  5. Dynamic determination of the functional state in photolyase and the implication for cryptochrome.

    PubMed

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

    2013-08-01

    The flavin adenine dinucleotide cofactor has an unusual bent configuration in photolyase and cryptochrome, and such a folded structure may have a functional role in initial photochemistry. Using femtosecond spectroscopy, we report here our systematic characterization of cyclic intramolecular electron transfer (ET) dynamics between the flavin and adenine moieties of flavin adenine dinucleotide in four redox forms of the oxidized, neutral, and anionic semiquinone, and anionic hydroquinone states. By comparing wild-type and mutant enzymes, we have determined that the excited neutral oxidized and semiquinone states absorb an electron from the adenine moiety in 19 and 135 ps, whereas the excited anionic semiquinone and hydroquinone states donate an electron to the adenine moiety in 12 ps and 2 ns, respectively. All back ET dynamics occur ultrafast within 100 ps. These four ET dynamics dictate that only the anionic hydroquinone flavin can be the functional state in photolyase due to the slower ET dynamics (2 ns) with the adenine moiety and a faster ET dynamics (250 ps) with the substrate, whereas the intervening adenine moiety mediates electron tunneling for repair of damaged DNA. Assuming ET as the universal mechanism for photolyase and cryptochrome, these results imply anionic flavin as the more attractive form of the cofactor in the active state in cryptochrome to induce charge relocation to cause an electrostatic variation in the active site and then lead to a local conformation change to initiate signaling.

  6. 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

  7. 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...

  8. 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...

  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, 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...

  11. 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

  12. 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

  13. Dynamics and mechanism of cyclobutane pyrimidine dimer repair by DNA photolyase.

    PubMed

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

    2011-09-01

    Photolyase uses blue light to restore the major ultraviolet (UV)-induced DNA damage, the cyclobutane pyrimidine dimer (CPD), to two normal bases by splitting the cyclobutane ring. Our earlier studies showed that the overall repair is completed in 700 ps through a cyclic electron-transfer radical mechanism. However, the two fundamental processes, electron-tunneling pathways and cyclobutane ring splitting, were not resolved. Here, we use ultrafast UV absorption spectroscopy to show that the CPD splits in two sequential steps within 90 ps and the electron tunnels between the cofactor and substrate through a remarkable route with an intervening adenine. Site-directed mutagenesis reveals that the active-site residues are critical to achieving high repair efficiency, a unique electrostatic environment to optimize the redox potentials and local flexibility, and thus balance all catalytic reactions to maximize enzyme activity. These key findings reveal the complete spatio-temporal molecular picture of CPD repair by photolyase and elucidate the underlying molecular mechanism of the enzyme's high repair efficiency.

  14. Dealing with light: the widespread and multitasking cryptochrome/photolyase family in photosynthetic organisms.

    PubMed

    Fortunato, Antonio Emidio; Annunziata, Rossella; Jaubert, Marianne; Bouly, Jean-Pierre; Falciatore, Angela

    2015-01-01

    Light is essential for the life of photosynthetic organisms as it is a source of energy and information from the environment. Light excess or limitation can be a cause of stress however. Photosynthetic organisms exhibit sophisticated mechanisms to adjust their physiology and growth to the local environmental light conditions. The cryptochrome/photolyase family (CPF) is composed of flavoproteins with similar structures that display a variety of light-dependent functions. This family encompasses photolyases, blue-light activated enzymes that repair ultraviolet-light induced DNA damage, and cryptochromes, known for their photoreceptor functions in terrestrial plants. For this review, we searched extensively for CPFs in the available genome databases to trace the distribution and evolution of this protein family in photosynthetic organisms. By merging molecular data with current knowledge from the functional characterization of CPFs from terrestrial and aquatic organisms, we discuss their roles in (i) photoperception, (ii) biological rhythm regulation and (iii) light-induced stress responses. We also explore their possible implication in light-related physiological acclimation and their distribution in phototrophs living in different environments. The outcome of this structure-function analysis reconstructs the complex scenarios in which CPFs have evolved, as highlighted by the novel functions and biochemical properties of the most recently described family members in algae. PMID:25087009

  15. More Than a Repair Enzyme: Aspergillus nidulans Photolyase-like CryA Is a Regulator of Sexual Development

    PubMed Central

    Bayram, Özgür; Biesemann, Christoph; Krappmann, Sven; Galland, Paul

    2008-01-01

    Cryptochromes are blue-light receptors that have presumably evolved from the DNA photolyase protein family, and the genomes of many organisms contain genes for both types of molecules. Both protein structures resemble each other, which suggests that light control and light protection share a common ancient origin. In the genome of the filamentous fungus Aspergillus nidulans, however, only one cryptochrome/photolyase-encoding gene, termed cryA, was identified. Deletion of the cryA gene triggers sexual differentiation under inappropriate culture conditions and results in up-regulation of transcripts encoding regulators of fruiting body formation. CryA is a protein whose N- and C-terminal synthetic green fluorescent protein fusions localize to the nucleus. CryA represses sexual development under UVA350-370 nm light both on plates and in submerged culture. Strikingly, CryA exhibits photorepair activity as demonstrated by heterologous complementation of a DNA repair-deficient Escherichia coli strain as well as overexpression in an A. nidulans uvsBΔ genetic background. This is in contrast to the single deletion cryAΔ strain, which does not show increased sensitivity toward UV-induced damage. In A. nidulans, cryA encodes a novel type of cryptochrome/photolyase that exhibits a regulatory function during light-dependent development and DNA repair activity. This represents a paradigm for the evolutionary transition between photolyases and cryptochromes. PMID:18495868

  16. 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

  17. 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...

  18. 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...

  19. 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...

  20. 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...

  1. 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...

  2. 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...

  3. Photoactivation of the flavin cofactor in Xenopus laevis (6–4) photolyase: Observation of a transient tyrosyl radical by time-resolved electron paramagnetic resonance

    PubMed Central

    Weber, Stefan; Kay, Christopher W. M.; Mögling, Heike; Möbius, Klaus; Hitomi, Kenichi; Todo, Takeshi

    2002-01-01

    The light-induced electron transfer reaction of flavin cofactor photoactivation in Xenopus laevis (6–4) photolyase has been studied by continuous-wave and time-resolved electron paramagnetic resonance spectroscopy. When the photoactivation is initiated from the fully oxidized form of the flavin, a neutral flavin radical is observed as a long-lived paramagnetic intermediate of two consecutive single-electron reductions under participation of redox-active amino acid residues. By time-resolved electron paramagnetic resonance, a spin-polarized transient radical-pair signal was detected that shows remarkable differences to the signals observed in the related cyclobutane pyrimidine dimer photolyase enzyme. In (6–4) photolyase, a neutral tyrosine radical has been identified as the final electron donor, on the basis of the characteristic line width, hyperfine splitting pattern, and resonance magnetic field position of the tyrosine resonances of the transient radical pair. PMID:11805294

  4. 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

  5. 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.

  6. 15 CFR 6.4 - Adjustments to penalties.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 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... Sensing Policy Act of 1992, from $11,000 to $11,000. (2) 15 U.S.C. 5658(c), Land Remote Sensing Policy...

  7. 44 CFR 6.4 - Standards of accuracy.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 44 Emergency Management and Assistance 1 2010-10-01 2010-10-01 false Standards of accuracy. 6.4 Section 6.4 Emergency Management and Assistance FEDERAL EMERGENCY MANAGEMENT AGENCY, DEPARTMENT OF.... The system manager shall ensure that all records which are used by FEMA to make determinations...

  8. 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.

  9. 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

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

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 41 Public Contracts and Property Management 1 2013-07-01 2013-07-01 false 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...

  11. 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...

  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, 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...

  14. 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

  15. 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

  16. Crystal structure of (1S,3R,8R,9R,10S)-2,4,6-tris­(2,2-di­chloro-3,7,7,10-tetra­methyl­tri­cyclo­[6.4.0.01,3]dodec-9-yl)cyclo­triboroxane

    PubMed Central

    Benharref, Ahmed; El Ammari, Lahcen; Saadi, Mohamed; Mazoir, Noureddine; Berraho, Moha

    2015-01-01

    The title compound, C48H75B3Cl6O3, was synthesized in two steps from β-himachalene (3,5,5,9-tetra­methyl-2,4a,5,6,7,8-hexa­hydro-1H-benzo­cyclo­hept­ene), which was isolated from the essential oil of the Atlas cedar (Cedrus Atlantica). The mol­ecule consists of an almost planar cyclo­triboroxane ring [maximum deviation = 0.036 (2) Å] linked to three identical fused ring systems with different conformations. Each of the three attached ring systems is built up from a seven-membered ring to which a six- and a three-membered ring are fused. The three six-membered rings have a twist-boat conformation, whereas the seven-membered rings display boat, chair and twist-boat conformations. The dihedral angles between the central boroxane ring and the mean planes of the attached six-membered rings are 63.67 (18), 54.89 (2) and 56.57 (19)°. The crystal packing is governed only by van der Waals inter­actions. PMID:26396761

  17. Crystal structure of 5-amino-5'-chloro-6-(4-chloro-benzo-yl)-8-nitro-2,3-di-hydro-1H-spiro-[imidazo[1,2-a]pyridine-7,3'-indolin]-2'-one including an unknown solvent mol-ecule.

    PubMed

    Nagalakshmi, R A; Suresh, J; Sivakumar, S; Kumar, R Ranjith; Lakshman, P L Nilantha

    2014-09-01

    The asymmetric unit of the title compound, C21H15Cl2N5O4, contains two independent mol-ecules (A and B) having similar conformations. The amine (NH2) group forms an intra-molecular hydrogen bond with the benzoyl group, giving an S(6) ring motif in both mol-ecules. The central six-membered rings adopt sofa conformations and the imidazole rings are planar (r.m.s deviations = 0.0150 and 0.0166 Å). The pyridine and imidazole rings are inclined to one another by 3.54 (1) and 3.03 (1)° in mol-ecules A and B, respectively. In the crystal, mol-ecules are linked by N-H⋯O hydrogen bonds, forming chains along the a axis which enclose R 2 (2)(16) ring motifs. The rings are linked by weak N-H⋯O and C-H⋯O hydrogen bonds and C-H⋯π inter-actions forming sheets lying parallel to (001). A region of disordered electron density, most probably disordered solvent mol-ecules, occupying voids of ca 753 Å(3) for an electron count of 260, was treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155]. Their formula mass and unit-cell characteristics were not taken into account during refinement. PMID:25309286

  18. Structural basis of pyrimidine-pyrimidone (6-4) photoproduct recognition by UV-DDB in the nucleosome.

    PubMed

    Osakabe, Akihisa; Tachiwana, Hiroaki; Kagawa, Wataru; Horikoshi, Naoki; Matsumoto, Syota; Hasegawa, Mayu; Matsumoto, Naoyuki; Toga, Tatsuya; Yamamoto, Junpei; Hanaoka, Fumio; Thomä, Nicolas H; Sugasawa, Kaoru; Iwai, Shigenori; Kurumizaka, Hitoshi

    2015-01-01

    UV-DDB, an initiation factor for the nucleotide excision repair pathway, recognizes 6-4PP lesions through a base flipping mechanism. As genomic DNA is almost entirely accommodated within nucleosomes, the flipping of the 6-4PP bases is supposed to be extremely difficult if the lesion occurs in a nucleosome, especially on the strand directly contacting the histone surface. Here we report that UV-DDB binds efficiently to nucleosomal 6-4PPs that are rotationally positioned on the solvent accessible or occluded surface. We determined the crystal structures of nucleosomes containing 6-4PPs in these rotational positions, and found that the 6-4PP DNA regions were flexibly disordered, especially in the strand exposed to the solvent. This characteristic of 6-4PP may facilitate UV-DDB binding to the damaged nucleosome. We present the first atomic-resolution pictures of the detrimental DNA cross-links of neighboring pyrimidine bases within the nucleosome, and provide the mechanistic framework for lesion recognition by UV-DDB in chromatin. PMID:26573481

  19. 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.

  20. A CRY-DASH-type photolyase/cryptochrome from Sclerotinia sclerotiorum mediates minor UV-A-specific effects on development.

    PubMed

    Veluchamy, Selvakumar; Rollins, Jeffrey A

    2008-09-01

    Apothecial development is the multicellular, sexual reproduction phase in the developmental life cycle of Sclerotinia sclerotiorum. This development begins within the sclerotium, a compact aggregation of vegetative hyphae contained within a melanized rind layer. Upon germination from the sclerotium, the apothecial stipe requires exposure to UV-A wavelengths of light to develop a fertile disc. We have identified a gene, cry1 from S. sclerotiorum that is most closely related to photolyase/cryptochrome proteins in the CRY-DASH family. We characterized this CRY-DASH ortholog from S. sclerotiorum and observed significant transcript accumulation only after exposure to UV-A and not in response to other wavelengths of light. Tissue-specific expression studies revealed that cry1 transcripts accumulate to low levels in vegetative mycelia and to higher levels in all light-exposed stages of apothecia development. Maximal cry1 transcript accumulation occurs in stipes between 2 and 6h of continuous UV-A exposure. Mutant strains carrying a deletion of cry1 exhibited a decrease in sclerotial mass and displayed greater numbers of pigmented hyphal projections on apothecial stipes under UV-A treatment but are otherwise developmentally normal. Tissue level localization of Cry1-GFP protein accumulation expressed from the native cry1 promoter was consistent with transcript localization. This study suggests that cry1 may have a function during UV exposure but is not essential for completing the developmental life cycle under laboratory conditions. PMID:18644246

  1. 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

  2. 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

  3. 12 CFR 6.4 - Capital measures and capital category definitions.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 12 Banks and Banking 1 2012-01-01 2012-01-01 false Capital measures and capital category definitions. 6.4 Section 6.4 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY PROMPT CORRECTIVE ACTION Capital Categories § 6.4 Capital measures and capital category definitions. (a) Capital measures. For purposes of section 38...

  4. Synthesis, spectral, thermal, optical and theoretical studies of (2E,6E)-2-benzylidene-6-(4-methoxybenzylidene)cyclohexanone.

    PubMed

    Meenatchi, V; Muthu, K; Rajasekar, M; Meenakshisundaram, Sp

    2014-01-01

    Single crystals of (2E,6E)-2-benzylidine-6-(4-methoxybenzylidine)cyclohexanone are grown by slow evaporation of ethanolic solution at room temperature. The characteristic functional groups present in the molecule are confirmed by Fourier transform infrared and Fourier transform Raman analyses. The scanning electron microscopy study reveals the surface morphology of the material. Thermogravimetric/differential thermal analysis study reveals the purity of the material and the crystal is transparent in the visible region having a lower optical cut-off at ∼487nm. The second harmonic generation efficiency of as-grown material is estimated by Kurtz and Perry technique. Optimized geometry has been derived using Hartree-Fock calculations performed at the level 6-31G (d,p) and the first-order molecular hyperpolarizability (β) is estimated. The specimen is further characterized by nuclear magnetic resonance spectroscopy.

  5. [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.

  6. [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

  7. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2012-07-01 2012-07-01 false Proof of age, 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...

  8. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2014-07-01 2014-07-01 false Proof of age, 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...

  9. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2013-07-01 2013-07-01 false Proof of age, 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...

  10. 38 CFR 6.4 - Proof of age, relationship and marriage.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 38 Pensions, Bonuses, and Veterans' Relief 1 2010-07-01 2010-07-01 false Proof of age, relationship and marriage. 6.4 Section 6.4 Pensions, Bonuses, and Veterans' Relief DEPARTMENT OF VETERANS AFFAIRS UNITED STATES GOVERNMENT LIFE INSURANCE Beneficiary of United States Government Life Insurance §...

  11. 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....

  12. Mesostructured material based on [Re6Te8(CN)6]4- cluster and Mn(2+): a rational synthesis of hexagonal nonoxidic mesoscale material.

    PubMed

    Vien, Vo; Suh, Min-Jung; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin

    2009-02-01

    A new nonoxidic mesostructured material with highly ordered hexagonal symmetry, [C(16)H(33)N(CH(3))(3)](3)Mn(0.5)[Re(6)Te(8)(CN)(6)], has been obtained through supramolecular assembly of [Re(6)Te(8)(CN)(6)](4-) clusters in the presence of a transition metal cation, Mn(2+), with cetyltrimethylammonium bromide as a liquid crystal template under hydrothermal conditions.

  13. Mesostructured material based on [Re6Te8(CN)6]4- cluster and Mn(2+): a rational synthesis of hexagonal nonoxidic mesoscale material.

    PubMed

    Vien, Vo; Suh, Min-Jung; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin

    2009-02-01

    A new nonoxidic mesostructured material with highly ordered hexagonal symmetry, [C(16)H(33)N(CH(3))(3)](3)Mn(0.5)[Re(6)Te(8)(CN)(6)], has been obtained through supramolecular assembly of [Re(6)Te(8)(CN)(6)](4-) clusters in the presence of a transition metal cation, Mn(2+), with cetyltrimethylammonium bromide as a liquid crystal template under hydrothermal conditions. PMID:19283284

  14. 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.

  15. 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.

  16. 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

  17. DNA photochemistry: geometrically unconstrained pyrimidine (6-4) pyrimidone photoproducts do photoisomerize.

    PubMed

    Douki, Thierry; Rebelo-Moreira, Silvestre; Hamon, Nadège; Bayle, Pierre-Alain

    2015-01-16

    Structural features are of major importance for the formation of mutagenic photoproducts in DNA. It was recently reported that lack of constraints between two adjacent nucleosidic units prevents the conversion of pyrimidine (6-4) pyrimidone photoproducts into their Dewar valence isomers. We here report that this is not the case for the thymidine photoproducts which, although unconstrained, are quantitatively converted into photolysis products identified as Dewar valence isomers by mass spectrometry and NMR and infrared spectroscopies.

  18. 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

  19. 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.

  20. 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

  1. 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.

  2. Results of a new OCTOPUS'' ECR ion source at 6. 4 GHz

    SciTech Connect

    Dupont, C.; Jongen, Y. ); Arakawa, K.; Yokota, W. ); Satoh, T.; Tachikawa, T. )

    1990-01-01

    The first OCTOPUS electron cyclstron resonance (ECR) multicharged heavy ion source was built in 1985 at the Centre de Recherches du Cyclotron of the University of Louvain (Belgium). This first source used an ECR frequency of 14.3 GHz in the injector stage and 8.5 GHz in the main confinement stage. A new OCTOPUS source has now been built for a new cyclotron to be installed at the Japan Atomic Energy Research Institute (JAERI). The design of this new OCTOPUS source is identical to the first OCTOPUS source, but uses an ECR frequency of 6.4 GHz in the main confinement stage. The experimental results are described, and a comparison is made between the two sources. However, the available data does not allow any clear conclusion to be drawn on frequency scaling.

  3. 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

  4. 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).

  5. 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.

  6. 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.

  7. Solution Spectroscopic and Chemical Properties of the Complex Hydride [FeH(6)](4-).

    PubMed

    Linn, Donald E.; Gibbins, Sidney G.

    1997-07-30

    Solution spectroscopic and chemical behavior was examined in the case of the homoleptic hydridic anion of iron [FeH(6)](4)(-). Examination of the UV-visible spectrum in THF revealed a LMCT band which occurs at 41 x 10(3) cm(-)(1) (epsilon = 1200 L mol(-)(1) cm(-)(1)). A manifold between 470 and 500 nm was consistent with overlapping spin-forbidden transitions: (1)A(1g) --> (3)T(2g) and (1)A(1g) --> (3)T(1g). The doubly spin-forbidden transition ((1)A(1g) --> (5)T(2g)) was not observed. Spin-allowed ligand field transitions, (1)A(1g) --> (1)T(2g) and (1)A(1g) --> (1)T(1g), occurred at 28.2 (epsilon = 356 L mol(-)(1) cm(-)(1)) and 24.2 x 10(3) cm(-)(1) (epsilon = 414 L mol(-)(1) cm(-)(1)), respectively. The latter data yielded the parameters Delta(H)()- = 25 x 10(3) cm(-)(1) and B = 310 cm(-)(1), assuming C/B = 4. Thus, the position of hydride was established in the spectrochemical series of low-spin Fe(2+) as well beneath cyanide (35 x 10(3) cm(-)(1) ) yet well above bipyridine (18 x 10(3) cm(-)(1) ). Titration of solutions of [FeH(6])[MgX(THF)(2)](4) (1.2 x 10(-)(3) M), I (X = Cl, Br), with [MgCl(2)] ((1.8-45) x 10(-)(3) M) did not perturb the ligand field absorptions but caused a hypsochromic shift in the LMCT band consistent with the formation of the less anionic polyhydride complex, I, from [MgX(THF)(n)()](+) and {[FeH(6)][MgX(THF)(2)](3)}(-), II, where K(1)()() approximately (3 +/- 1) x 10(-)(3) (UV-visible). The (1)H NMR (1.2 x 10(-)(3) M, 25 degrees C) in THF-d(8) displayed two hydride components at delta -20.3 and -20.4 ppm (5.6:1). Coalescence of the two hydride absorptions occurred near 40 degrees C and 200 MHz. Reaction of I with (6)LiOH (8 equiv) was found by (6)Li{(1)H} NMR to result in the replacement of the [MgX](+) unit in I with (6)Li(+).

  8. 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.

  9. 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)

  10. DNA sequence context greatly affects the accuracy of bypass across an ultraviolet light 6-4 photoproduct in mammalian cells.

    PubMed

    Shriber, Pola; Leitner-Dagan, Yael; Geacintov, Nicholas; Paz-Elizur, Tamar; Livneh, Zvi

    2015-10-01

    Translesion DNA synthesis (TLS) is a DNA damage tolerance mechanism carried out by low-fidelity DNA polymerases that bypass DNA lesions, which overcomes replication stalling. Despite the miscoding nature of most common DNA lesions, several of them are bypassed in mammalian cells in a relatively accurate manner, which plays a key role maintaining a low mutation load. Whereas it is generally agreed that TLS across the major UV and sunlight induced DNA lesion, the cyclobutane pyrimidine dimer (CPD), is accurate, there were conflicting reports on whether the same is true for the thymine-thymine pyrimidine-pyrimidone(6-4) ultraviolet light photoproduct (TT6-4PP), which represents the second most common class of UV lesions. Using a TLS assay system based on gapped plasmids carrying site-specific TT6-4PP lesions in defined sequence contexts we show that the DNA sequence context markedly affected both the extent and accuracy of TLS. The sequence exhibiting higher TLS exhibited also higher error-frequency, caused primarily by semi-targeted mutations, at the nearest nucleotides flanking the lesion. Our results resolve the discrepancy reported on TLS across TT6-4PP, and suggest that TLS is more accurate in human cells than in mouse cells.

  11. 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

  12. Diagnostic value of the recombinant tandem repeat antigen TeGM6-4r for surra in water buffaloes.

    PubMed

    Nguyen, Thu-Thuy; Zhou, Mo; Ruttayaporn, Ngasaman; Nguyen, Quoc Doanh; Nguyen, Viet Khong; Goto, Yasuyuki; Suzuki, Yasuhiko; Kawazu, Shin-ichiro; Inoue, Noboru

    2014-03-17

    Trypanosoma evansi infection, or surra, is currently affecting various species of animals, especially water buffaloes. Since diagnosis is an important aspect of surra control, development of novel diagnostic antigens is of interest to implement and improve the currently utilized methods. Our study evaluated the tandem repeat antigen TeGM6-4r in T. evansi antibody detection in water buffaloes. TeGM6-4r-based ELISA was performed with 20 positive and 8 negative controls and 484 field samples from water buffaloes in Northern Vietnam. To examine cross-reactivity, sera from Japanese cattle that had been experimentally infected with Theileria orientalis (n=10), Babesia bovis (n=3), Babesia bigemina (n=7) and Trypanosoma theileri (n=59) were included in the study. The sensitivity of the test was 80%. TeGM6-4r did not react with Theileria or Babesia infected sera, however it showed cross reactivity with 11/59 T. theileri infected samples. The reference test, CATT/T. evansi also reacted with 3/59 T. theileri infected sera. The lysate antigen-based ELISA reacted with 4/59 T. theileri, 9/10 Theileria and 3/10 Babesia infected sera. In contrast, TeGM6-4r-based ELISA was 86.3% sensitive and 58.3% specific in the screening of field samples. The average seroprevalence of T. evansi infection among water buffaloes in Northern Vietnam was 27.1% by CATT/T. evansi and 53.7% by TeGM6-4r. Seroprevalence in the five surveyed provinces ranged from 17.4% to 39.8% in the reference test, and 47.3% to 67.3% in the recombinant antigen based test. The finding indicated that the disease is still widely endemic in the area and that surveillance programs need to be carried out regularly to better control surra. We proposed TeGM6-4r as a useful serodiagnostic antigen for the detection and epidemiological surveillance of T. evansi infection among water buffaloes.

  13. 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.

  14. Adipic acid–2,4-diamino-6-(4-meth­oxy­phen­yl)-1,3,5-triazine (1/2)

    PubMed Central

    Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, Kulandaisamy Joseph

    2012-01-01

    The asymmetric unit of the title compound, 2C10H11N5O·C6H10O4, consists of a 2,4-diamino-6-(4-meth­oxy­phen­yl)-1,3,5-triazine mol­ecule and one-half mol­ecule of adipic acid which lies about an inversion center. The triazine ring makes a dihedral angle of 12.89 (4)° with the adjacent benzene ring. In the crystal, the components are linked by N—H⋯O and O—H⋯N hydrogen bonds, thus generating a centrosymmetric 2 + 1 unit of triazine and adipic acid mol­ecules with R 2 2(8) motifs. The triazine mol­ecules are connected to each other by N—H⋯N hydrogen bonds, forming an R 2 2(8) motif and a supra­molecular ribbon along the c axis. The 2 + 1 units and the supra­molecular ribbons are further inter­linked by weak N—H⋯O, C—H⋯O and C—H⋯π inter­actions, resulting in a three-dimensional network. PMID:23125724

  15. Discovery of a 6.4 keV Emission Line in a Burst from SGR 1900+14

    NASA Technical Reports Server (NTRS)

    Strohmayer, Tod E.; Ibrahim, Alaa I.

    2000-01-01

    We present evidence of a 6.4 key emission line during a burst from the soft gamma repeater SGR 1900+14. The Rossi X-Ray Timing Explorer (RXTE) monitored this source extensively during its outburst in the summer of 1998. A strong burst observed on 1998 August 29 revealed a number of unique properties. The burst exhibits a precursor and is followed by a long (approx. 10(exp 3) s) tail modulated at the 5.16 s stellar rotation period. The precursor has a duration of approx. equals 0.85 s and shows both significant spectral evolution as well as an emission feature centered near 6.4 keV during the first 0.3 s of the event, when the X-ray spectrum was hardest. The continuum during the burst is well fit with an optically thin thermal bremsstrahlung spectrum with the temperature ranging from approx. equals 40 to 10 keV. The line is strong, with an equivalent width of approx. 400 eV, and is consistent with Fe K(alpha) fluorescence from relatively coot material. If the rest-frame energy is indeed 6.4 keV, then the lack of an observed redshift indicates that the source is at least approx. 80 km above the neutron star surface. We discuss the implications of the line detection in the context of models for SGRs.

  16. 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)

  17. Virtual Crystallizer

    SciTech Connect

    Land, T A; Dylla-Spears, R; Thorsness, C B

    2006-08-29

    Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

  18. Crystal growing

    NASA Technical Reports Server (NTRS)

    Neville, J. P.

    1990-01-01

    One objective is to demonstrate the way crystals grow and how they affect the behavior of material. Another objective is to compare the growth of crystals in metals and nonmetals. The procedures, which involve a supersaturated solution of a salt that will separate into crystals on cooling and the pouring off of an eutectic solution to expose the crystals formed by a solid solution when an alloy of two metals forms a solid and eutectic solution on cooling, are described.

  19. 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.

  20. Preparation, patterning and luminescent properties of oxyapatite La9.33(SiO6)4O2:A(A = Eu3+, Tb3+, Ce3+) phosphor films by sol gel soft lithography

    NASA Astrophysics Data System (ADS)

    Han, X. M.; Lin, J.; Xing, R. B.; Fu, J.; Wang, S. B.; Han, Y. C.

    2003-04-01

    Silicate oxyapatite La9.33(SiO6)4O2:A (A = Eu3+, Tb3+ and/or Ce3+) phosphor films and their patterning were fabricated by a sol-gel process combined with soft lithography. X-ray diffraction(XRD), Fourier transform infrared spectroscopy, atomic force microscopy, optical microscopy and photoluminescence spectra, as well as lifetimes, were used to characterize the resulting films. The results of XRD indicated that the films began to crystallize at 800 °C and the crystallinity increased with the increase in annealing temperatures. Transparent nonpatterned phosphor films were uniform and crack-free, which mainly consisted of rodlike grains with a size between 150 and 210 nm. Patterned thin films with different bandwidths(20, 50µm) were obtained by the micromoulding in capillaries technique. The doped rare earth ions(Eu3+, Tb3+ and Ce3+) showed their characteristic emission in crystalline La9.33(SiO6)4O2 phosphor films, i.e. Eu3+5D 0 --7F J(J = 0, 1, 2, 3, 4), Tb3+5D 3,4 --7F J(J = 3, 4, 5, 6) and Ce3+ 5d(2D)-- 4f(2F 2/5,2F 2/7) emissions, respectively. Both the lifetimes and PL intensity of the Eu3+, Tb3+ ions increased with increasing annealing temperature from 800 to 1100 °C, and the optimum concentrations for Eu3+, Tb3+ were determined to be 9 and 7 mol% of La3+ in La9.33(SiO6)4O2 films, respectively. An energy transfer from Ce3+ to Tb3+ was observed in the La9.33(SiO6)4O2:Ce, Tb phosphor films, and the energy transfer efficiency was estimated as a function of Tb3+ concentration.

  1. 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.

  2. On the stability of {omega} phase in Ti-6-22-22S and Ti-6-4 alloys

    SciTech Connect

    Zhang, X.D.; Baeslack, W.A. III; Fraser, H.L.; Wiezorek, J.M.K.; Evans, D.J.

    1999-08-20

    Ti-6Al-2Mo-2Cr-2Sn-2Zr-0.2Si (Ti-6-22-22S) alloy, which was developed initially twenty years ago, has been recently reconsidered as a new moderate temperature material for aircraft structural applications. Ti-6-22-22S is stronger than the conventional Ti-6Al-4V (Ti-6-4) alloy and has better damage tolerance. As a part of the comprehensive program on the microstructural characterization of Ti-6-22-22S, the effect of heat treatment and the addition of small amounts of Si on the microstructural development and mechanical properties have been thoroughly investigated. These heat treatment conditions include variations in the cooling rates from the {beta} solution treatment and ({alpha}+{beta}) solution treatment, the temperatures of ({alpha}+{beta}) solution treatment and aging temperatures. Furthermore the microstructural stability of this alloy, particularly with respect to the precipitation of secondary intermetallic compounds and their effect on the mechanical properties, has been investigated. In previous studies, two types of precipitates, namely silicides and {alpha}{sub 2} phase, have been observed. The stability of these precipitates during long time aging, and partitioning of alloying elements as function of heat treatment as well as their effects on mechanical properties have also been reported. In the present study, observations of the {omega} phase and its stability will be reported for Ti-6-22-22S and the results will be compared with those reported for Ti-6-4 alloy.

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. Spatiotemporal investigation of seismicity and Coulomb stress variations prior to the 2010 ML 6.4 Jiashian, Taiwan earthquake

    NASA Astrophysics Data System (ADS)

    Wen, Yi-Ying; Chen, Chien-Chih; Wu, Yi-Hsuan; Chan, Chung-Han; Wang, Yu-Ju; Yeh, Yu-Lien

    2016-08-01

    The 2010 ML 6.4 Jiashian earthquake struck southern Taiwan and caused some damage due to the strong ground shaking. Since the epicenter is located in a relatively low background seismicity area, we want to investigate seismicity rate changes associated with the Jiashian main shock by applying the region-time-length and pattern informatics algorithms. Both temporal and spatial results exhibit signatures of abnormal seismicity change related to the seismic activation and quiescence prior to the 2010 Jiashian main shock. In addition, patch of abnormal seismicity changes coincides with the region with Coulomb stress change during the same period. Our study demonstrates that the epicenter area of the 2010 Jiashian earthquake experienced a long period of seismicity rate changes and stress accumulation and thus suggests that both the variations in Coulomb stress and seismicity rate play fundamental roles in the nucleation process of impending earthquakes.

  10. Low cost upgrade of 6.4 GHz ECRIS and recent results with 14 GHz ECRIS at JYFL

    NASA Astrophysics Data System (ADS)

    Koivisto, H.; Heikkinen, P.; Liukkonen, E.; ńrje, J.; Vondrasek, R.

    2002-02-01

    The old JYFL 6.4 GHz electron cyclotron resonance ion source (ECRIS) at the University of Jyväskylä, Department of Physics (JYFL), is in the process of being upgraded. The calculations have shown that the magnetic field configuration of the SC-ECRIS at the NSCL/MSU can be closely achieved using present coils, power supplies, plasma chamber, and permanent magnets. The hexapole magnetic field will be upgraded later using an iron cylinder around the plasma chamber. Calculations have shown that the improvement of around 30% can be obtained to the strength of the hexapole field. A new AECR-U-type ion source was completed in spring 2000 for the program of the nuclear physics in the laboratory. The MIVOC method and the internal oven for the production of several metal ion beams with the new source have been tested.

  11. Multiple fault slip triggered above the 2016 Mw 6.4 MeiNong earthquake in Taiwan

    NASA Astrophysics Data System (ADS)

    Huang, Mong-Han; Tung, Hsin; Fielding, Eric J.; Huang, Hsin-Hua; Liang, Cunren; Huang, Chung; Hu, Jyr-Ching

    2016-07-01

    Rapid shortening in convergent mountain belts is often accommodated by slip on faults at multiple levels in upper crust, but no geodetic observation of slip at multiple levels within hours of a moderate earthquake has been shown before. Here we show clear evidence of fault slip within a shallower thrust at 5-10 km depth in SW Taiwan triggered by the 2016 Mw 6.4 MeiNong earthquake at 15-20 km depth. We constrain the primary coseismic fault slip with kinematic modeling of seismic and geodetic measurements and constrain the triggered slip and fault geometry using synthetic aperture radar interferometry. The shallower thrust coincides with a proposed duplex located in a region of high fluid pressure and high interseismic uplift rate, and may be sensitive to stress perturbations. Our results imply that under tectonic conditions such as high-background stress level and high fluid pressure, a moderate lower crustal earthquake can trigger faults at shallower depth.

  12. 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.

  13. Anthelmintic profile of methyl 5(6)-(4-methylpiperidin-1-yl) carbonylbenzimidazole-2-carbamate in experimental helminthiases.

    PubMed

    Gupta, S; Khan, A M; Jain, M K; Katiyar, J C; Naim, S S; Singh, S K; Sharma, S

    1990-05-01

    Biological evaluation of methyl 5(6)-(4-methylpiperidin-1-yl) carbonylbenzimidazole-2-carbamate against Ancylostoma ceylanicum, Nippostrongylus brasiliensis, Syphacia obvelata, Hymenolepis nana, H. diminuta and Cysticercus fasciolaris in experimental animals is reported. The compound (mg/kg) causes 100% elimination of A. ceylanicum (25 x 1), N. brasiliensis (100 x 1), S. obvelata (50 x 1), H. nana (250 x 3) and C. fasciolaris (50 x 10). It was also effective against the developing larvae (L3, L4 and L5) of A. ceylanicum at a single oral dose of 100 mg/kg. Another study indicated that the compound elicits 100% response within 32 hr of drug administration. The drug is well tolerated and LD50 is greater than 4500 mg/kg.

  14. 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.

  15. The Subfamily-Specific Interaction between Kv2.1 and Kv6.4 Subunits Is Determined by Interactions between the N- and C-termini

    PubMed Central

    Bocksteins, Elke; Mayeur, Evy; Van Tilborg, Abbi; Regnier, Glenn; Timmermans, Jean-Pierre; Snyders, Dirk J.

    2014-01-01

    The “silent” voltage-gated potassium (KvS) channel subunit Kv6.4 does not form electrically functional homotetramers at the plasma membrane but assembles with Kv2.1 subunits, generating functional Kv2.1/Kv6.4 heterotetramers. The N-terminal T1 domain determines the subfamily-specific assembly of Kv1-4 subunits by preventing interactions between subunits that belong to different subfamilies. For Kv6.4, yeast-two-hybrid experiments showed an interaction of the Kv6.4 N-terminus with the Kv2.1 N-terminus, but unexpectedly also with the Kv3.1 N-terminus. We confirmed this interaction by Fluorescence Resonance Energy Transfer (FRET) and co-immunoprecipitation (co-IP) using N-terminal Kv3.1 and Kv6.4 fragments. However, full-length Kv3.1 and Kv6.4 subunits do not form heterotetramers at the plasma membrane. Therefore, additional interactions between the Kv6.4 and Kv2.1 subunits should be important in the Kv2.1/Kv6.4 subfamily-specificity. Using FRET and co-IP approaches with N- and C-terminal fragments we observed that the Kv6.4 C-terminus physically interacts with the Kv2.1 N-terminus but not with the Kv3.1 N-terminus. The N-terminal amino acid sequence CDD which is conserved between Kv2 and KvS subunits appeared to be a key determinant since charge reversals with arginine substitutions abolished the interaction between the N-terminus of Kv2.1 and the C-terminus of both Kv2.1 and Kv6.4. In addition, the Kv6.4(CKv3.1) chimera in which the C-terminus of Kv6.4 was replaced by the corresponding domain of Kv3.1, disrupted the assembly with Kv2.1. These results indicate that the subfamily-specific Kv2.1/Kv6.4 heterotetramerization is determined by interactions between Kv2.1 and Kv6.4 that involve both the N- and C-termini in which the conserved N-terminal CDD sequence plays a key role. PMID:24901643

  16. Microfluidic crystallization.

    PubMed

    Leng, Jacques; Salmon, Jean-Baptiste

    2009-01-01

    Microfluidics offers a wide range of new tools that permit one to revisit the formation of crystals in solution and yield insights into crystallization processes. We review such recent microfluidic devices and particularly emphasize lab-on-chips dedicated to the high-throughput screening of crystallization conditions of proteins with nanolitre consumption. We also thoroughly discuss the possibilities offered by the microfluidic tools to acquire thermodynamic and kinetic data that may improve industrial processes and shed a new light on nucleation and growth mechanisms.

  17. Crystal Furnace

    NASA Technical Reports Server (NTRS)

    1985-01-01

    A "melt recharging" technique which eliminates the cooldown and heating periods in a crystal "growing" crucible, resulted from a Jet Propulsion Laboratory (JPL)/Kayex Corporation program. Previously, the cost of growing the silicon solar cells had been very high. The JPL/Kayex system improved productivity by serially growing crystals from the same crucible using a melt recharger which made it possible to add raw silicon to an operating crucible. An isolation value, developed by Kayex, allowed the hopper to be lowered into the crucible without disturbing the inert gas atmosphere. The resulting product, a CG6000 crystal growing furnace, has become the company's major product.

  18. 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

  19. 6-(4-Meth­oxy­phen­yl)-1,3,5-triazine-2,4-diamine

    PubMed Central

    Thanigaimani, Kaliyaperumal; Razak, Ibrahim Abdul; Arshad, Suhana; Jagatheesan, Rathinavel; Santhanaraj, K. Joseph

    2012-01-01

    In the title compound, C10H11N5O, the triazine ring forms a dihedral angle of 10.37 (4)° with the benzene ring. In the crystal, adjacent mol­ecules are linked by a pair of N—H⋯N hydrogen bonds, forming an inversion dimer with an R 2 2(8) ring motif. The dimers are further connected via N—H⋯O and N—H⋯N hydrogen bonds, resulting in a three-dimensional network. PMID:23125702

  20. 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.

  1. ENHANCEMENT OF THE 6.4 keV LINE IN THE INNER GALACTIC RIDGE: PROTON-INDUCED FLUORESCENCE?

    SciTech Connect

    Nobukawa, K. K.; Nobukawa, M.; Tsuru, T. G.; Tanaka, T.; Koyama, K.; Uchiyama, H.; Torii, K.; Fukui, Y.; Chernyshov, D. O.; Dogiel, V. A.

    2015-07-01

    A common idea for the origin of the Galactic diffuse X-ray emission, particularly that of the iron lines from neutral and highly ionized atoms, is a superposition of many cataclysmic variables and coronally active binaries. In this scenario, the flux should symmetrically distribute between the east and west on the plane with respect to Sagittarius A* because the stellar mass distribution determined by infrared observations is nearly symmetric. This symmetry is confirmed for the highly ionized iron line as well as the continuum emission. However, a clear excess of the neutral iron line in the near east of the Galactic center compared to the near-west side is found. The flux distribution of the excess emission well correlates with the molecular column density. The X-ray spectrum of the excess emission is described by a power-law continuum plus a 6.4 keV line with a large equivalent width of ∼1.3 keV, which is hardly explained by the low-energy electron bombardment scenario. The longitudinal and latitudinal distribution of the excess emission disfavors the X-ray irradiation, either by Sagittarius A* or by nearby X-ray binaries. Then, the low-energy proton bombardment is the most probable origin, although the high-energy density ∼80 eV cm{sup −3} in 0.1–1000 MeV is required and there is no conventional proton source in the vicinity.

  2. 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).

  3. 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.

  4. 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.

  5. 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.

  6. Crystallization of beef heart cytochrome c oxidase

    NASA Astrophysics Data System (ADS)

    Yoshikawa, Shinya; Shinzawa, Kyoko; Tsukihara, Tomitake; Abe, Toshio; Caughey, Winslow S.

    1991-03-01

    The three-dimensional structure of cytochrome c oxidase, a complex (multimetal, multisubunit) membrane protein is critical to elucidation of the mechanism of the enzymic reactions and their control. Our recent developments in the crystallization of the enzyme isolated from beef hearts are presented. The crystals appeared more readily at higher protein concentration, lower ionic strength, higher detergent concentration (Brij-35) and lower temperature. Large crystals were obtained by changing one of these parameters to the crystallization point as slowly as possible, keeping the other parameters constant. Increasing the detergent concentration was the most successful method, producing green crystals of the resting oxidized form as hexagonal bipyramids with typical dimensions of 0.6 mm. The usual procedures for crystallization of water soluble proteins, such as increasing ionic strength by vapor diffusion, were not applicable for this enzyme. Crystals of the resting oxidized enzyme belong to a space group of P6 2 or P6 4 with cell dimensions, a = b = 208.7 Å and c = 282.3 Å. The Patterson function shows that the crystal exhibited a non-crystallographic two-fold axis parallel to the c-axis in the asymmetric unit.

  7. Fully quantal calculation of H2 translation-rotation states in (H2)4@5(12)6(4) clathrate sII inclusion compounds.

    PubMed

    Felker, Peter M

    2013-05-01

    The quantal translation-rotation (TR) states of the (p-H2)4@5(12)6(4) and (o-D2)4@5(12)6(4) hydrate clathrate sII inclusion compounds have been computed by nuclear-orbital/configuration-interaction methods. The model of these compounds in a rigid, high-symmetry 5(12)6(4) cage is treated in detail. The low-energy TR level structures of both isotopomers within this model are found to consist of states that can be readily described in terms of a small number of single-H2 and double-H2 excitation modes. The use of the high-symmetry results to facilitate the calculation and interpretation of (p-H2)4 and (o-D2)4 TR states in low-symmetry physically realizable 5(12)6(4) cages is also reported.

  8. 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

  9. 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.

  10. 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

  11. Liquid Crystals

    NASA Technical Reports Server (NTRS)

    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.

  12. 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

  13. 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.

  14. Laser Crystal

    NASA Technical Reports Server (NTRS)

    1998-01-01

    Lightning Optical Corporation, under an SBIR (Small Business Innovative Research) agreement with Langley Research Center, manufactures oxide and fluoride laser gain crystals, as well as various nonlinear materials. The ultimate result of this research program is the commercial availability in the marketplace of a reliable source of high-quality, damage resistant laser material, primarily for diode-pumping applications.

  15. 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,…

  16. Optical Crystals

    ERIC Educational Resources Information Center

    Bergsten, Ronald

    1974-01-01

    Discusses the production and structure of a sequence of optical crystals which can serve as one-, two-, and three-dimensional diffraction plates to illustrate diffraction patterns by using light rather than x-rays or particles. Applications to qualitative presentations of Laue theory at the secondary and college levels are recommended. (CC)

  17. 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…

  18. 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.

  19. 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.

  20. 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

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate and methyl 6-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-m-toluate; tolerances for residues. 180.437 Section 180.437 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) PESTICIDE PROGRAMS...

  1. 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.

  2. Ribbon crystals.

    PubMed

    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.

  3. 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

  4. 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%.

  5. THE ORIGIN OF THE 6.4 keV LINE EMISSION AND H{sub 2} IONIZATION IN THE DIFFUSE MOLECULAR GAS OF THE GALACTIC CENTER REGION

    SciTech Connect

    Dogiel, V. A.; Chernyshov, D. O.; Tatischeff, V.; Terrier, R.

    2013-07-10

    We investigate the origin of the diffuse 6.4 keV line emission recently detected by Suzaku and the source of H{sub 2} ionization in the diffuse molecular gas of the Galactic center (GC) region. We show that Fe atoms and H{sub 2} molecules in the diffuse interstellar medium of the GC are not ionized by the same particles. The Fe atoms are most likely ionized by X-ray photons emitted by Sgr A* during a previous period of flaring activity of the supermassive black hole. The measured longitudinal intensity distribution of the diffuse 6.4 keV line emission is best explained if the past activity of Sgr A* lasted at least several hundred years and released a mean 2-100 keV luminosity {approx}> 10{sup 38} erg s{sup -1}. The H{sub 2} molecules of the diffuse gas cannot be ionized by photons from Sgr A*, because soft photons are strongly absorbed in the interstellar gas around the central black hole. The molecular hydrogen in the GC region is most likely ionized by low-energy cosmic rays, probably protons rather than electrons, whose contribution into the diffuse 6.4 keV line emission is negligible.

  6. 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)

  7. 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)

  8. How Do Orientation Fluctuations Evolve to Crystals?

    NASA Astrophysics Data System (ADS)

    Xiao, Zhicheng; Ilavsky, Jan; Long, Gabrielle G.; Akpalu, Yvonne A.

    Light and synchrotron X-ray scattering are used to probe structure formation during isothermal crystallization of an ethylene-1-hexene copolymer (EH064, M w = 70,000 g/mol, ρ = 0.900 g/cm3, M w /M n ~ 2, 6.4 mole percent hexene) andan ethylene-1-butene copolymer (EB059, M w = 70,000 g/mol, ρ = 0.905 g/cm3, M w /M n ~ 2, 5.9 mole percent butene).

  9. Laser-induced crystallization and crystal growth.

    PubMed

    Sugiyama, Teruki; Masuhara, Hiroshi

    2011-11-01

    Recent streams of laser studies on crystallization and crystal growth are summarized and reviewed. Femtosecond multiphoton excitation of solutions leads to their ablation at the focal point, inducing local bubble formation, shockwave propagation, and convection flow. This phenomenon, called "laser micro tsunami" makes it possible to trigger crystallization of molecules and proteins from their supersaturated solutions. Femtosecond laser ablation of a urea crystal in solution triggers the additional growth of a single daughter crystal. Intense continuous wave (CW) near infrared laser irradiation at the air/solution interface of heavy-water amino acid solutions results in trapping of the clusters and evolves to crystallization. A single crystal is always prepared in a spatially and temporally controlled manner, and the crystal polymorph of glycine depends on laser power, polarization, and solution concentration. Upon irradiation at the glass/solution interface, a millimeter-sized droplet is formed, and a single crystal is formed by shifting the irradiation position to the surface. Directional and selective crystal growth is also possible with laser trapping. Finally, characteristics of laser-induced crystallization and crystal growth are summarized.

  10. 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.

  11. 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.

  12. Synthesis of N-(6-(4-(Piperazin-1-yl)phenoxy)pyridin-3-yl)benzenesulfonamide Derivatives for the Treatment of Metabolic Syndrome

    PubMed Central

    Bajare, Swapnil; Anthony, Jessy; Nair, Amrutha; Damre, Anagha; B-Rao, Chandrika; Sivaramakrishnan, H.; Wilankar, Chandan; Marita, Rosalind

    2013-01-01

    Metabolic syndrome is a widely prevalent multifactorial disorder associated with an increased risk of cardiovascular disease and type 2 diabetes mellitus. High plasma levels of insulin and glucose due to insulin resistance are a major component of the metabolic disorder. Thiazolidinediones (TZDs) are potent PPARγ ligand and used as insulin sensitizers in the treatment of type 2 diabetes mellitus. They are potent insulin-sensitizing agents but due to adverse effects like hepatotoxicity, a safer alternative of TZDs is highly demanded. Here we report synthesis of N-(6-(4-(piperazin-1-yl)phenoxy)pyridin-3-yl)benzenesulfonamide derivatives as an alternate remedy for insulin resistance. PMID:25374688

  13. Synthesis of N-(6-(4-(Piperazin-1-yl)phenoxy)pyridin-3-yl)benzenesulfonamide Derivatives for the Treatment of Metabolic Syndrome.

    PubMed

    Deka, Nabajyoti; Bajare, Swapnil; Anthony, Jessy; Nair, Amrutha; Damre, Anagha; Patel, Dharmeshkumar; B-Rao, Chandrika; Sivaramakrishnan, H; Mutt, Shivaprakash Jagalur; Wilankar, Chandan; Marita, Rosalind

    2013-01-01

    Metabolic syndrome is a widely prevalent multifactorial disorder associated with an increased risk of cardiovascular disease and type 2 diabetes mellitus. High plasma levels of insulin and glucose due to insulin resistance are a major component of the metabolic disorder. Thiazolidinediones (TZDs) are potent PPARγ ligand and used as insulin sensitizers in the treatment of type 2 diabetes mellitus. They are potent insulin-sensitizing agents but due to adverse effects like hepatotoxicity, a safer alternative of TZDs is highly demanded. Here we report synthesis of N-(6-(4-(piperazin-1-yl)phenoxy)pyridin-3-yl)benzenesulfonamide derivatives as an alternate remedy for insulin resistance.

  14. Drilling technique for crystals

    NASA Technical Reports Server (NTRS)

    Hunter, T.; Miyagawa, I.

    1977-01-01

    Hole-drilling technique uses special crystal driller in which drill bit rotates at fixed position at speed of 30 rpm while crystal slowly advances toward drill. Technique has been successfully applied to crystal of Rochell salt, Triglycine sulfate, and N-acetyglycine. Technique limits heat buildup and reduces strain on crystal.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Corrosion behaviour of Al86.0Co7.6Ce6.4 glass forming alloy with different microstructures

    NASA Astrophysics Data System (ADS)

    Li, C. L.; Wang, P.; Sun, S. Q.; Voisey, K. T.; McCartney, D. G.

    2016-10-01

    It has been extensively reported that Al-TM-RE amorphous alloy has excellent mechanical properties and corrosion resistance. In this paper, the corrosion behaviour of an Al86.0Co7.6Ce6.4 glass forming alloy with different microstructures is investigated through electrochemical experiments and microscopy. Results show the effect of microstructure. Laser and electron beam surface melting processes produce rapidly solidified microstructures with different extents of passivation compared to the as-cast alloy. An amorphous surface layer produced by these surface treatments had superior corrosion resistance compared with the crystalline alloy. As-cast and laser treated Al86.0Co7.6Ce6.4 suffered localised corrosion in the Al/Al11Ce3 eutectic region whereas the amorphous material exhibited uniform corrosion. Compared with the electrochemical behaviour of AA2024 and Alclad 2024, the fully amorphous layer prepared by combined laser-electron beam treatment exhibited advantages such as the more negative corrosion potential, the higher pitting potential and the uniform corrosion mechanism, which indicates that this material is a potential anode candidate in the protection of AA2024.

  20. 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

  1. CYP2D6*4 Allele Polymorphism Increases the Risk of Parkinson’s Disease: Evidence from Meta-Analysis

    PubMed Central

    Chen, Siyuan; Xie, Yantong; Peng, Qiliu; He, Yu; Deng, Yan; Wang, Jian; Xie, Li; Zeng, Jie; Li, Shan; Qin, Xue

    2013-01-01

    Background Many epidemiological studies have been conducted to explore the association between a single CYP2D6 gene polymorphism and Parkinson’s disease (PD) susceptibility. However, the results remain controversial. Objectives To clarify the effects of a single CYP2D6 gene polymorphism on the risk of PD, a meta-analysis of all available studies relating to CYP2D6*4 polymorphism and the risk of PD was conducted. Methods A comprehensive literature search of PubMed, EMBASE, and the China National Knowledge Infrastructure (CNKI) up to September 1, 2013 was conducted. Data were extracted by two independent authors and pooled odds ratio (OR) with 95% confidence interval (CI) were calculated. Meta-regression, Galbraith plots, subgroup analysis, sensitivity analysis, and publication bias analysis were also performed. Results Twenty-two separate comparisons consisting of 2,629 patients and 3,601 controls were included in our meta-analysis. The pooled analyses showed a significant association between CYP2D6*4G/A polymorphism and PD risk in all of the comparisons (A vs. G allele: OR = 1.28, 95% CI = 1.14–1.43, P = 0.001; AA vs. GG: OR = 1.43, 95% CI = 1.06–1.93, P = 0.018; AG vs. GG: OR = 1.22, 95% CI = 1.06–1.40, P = 0.006; AG+AA vs. GG: OR = 1.26, 95% CI = 1.10–1.44, P = 0.001; AA vs. AG+GG: OR = 1.37, 95% CI = 1.02–1.83, P = 0.036). In subgroup analysis stratified by ethnicity, significant associations were also demonstrated in Caucasians but not in Asians. No significant association was found in subgroup analysis stratified by age of onset or disease form. Conclusions We concluded that the CYP2D6*4G/A polymorphism denotes an increased genetic susceptibility to PD in the overall population, especially in Caucasians. Further large and well-designed studies are needed to confirm this association. PMID:24376807

  2. 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

  3. 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.

  4. Solvent effects on the oxidation (electron transfer) reaction of [Fe(CN) 6] 4- by [Co(NH 3) 5pz] 3+

    NASA Astrophysics Data System (ADS)

    Muriel, F.; Jiménez, R.; López, M.; Prado-Gotor, R.; Sánchez, F.

    2004-03-01

    Solvent effects on the title reaction were studied in different reaction media constituted by water and organic cosolvents (methanol, tert-butyl alcohol, ethyleneglycol and glucose) at 298.2 K. The results are considered in light of the Marcus-Hush approach for electron transfer reactions. Variations of the electron transfer rate constant are shown to be mainly due to changes in the reaction free energy. On the other hand the energies of the MMCT band, corresponding to the optical electron transfer within the ion pair [Fe(CN) 6] 4-/[Co(NH 3) 5pz] 3+, in the different reaction media, have been obtained. The activation free energies of the thermal electron transfer process have been calculated from the band ( Eop) data, and compared with those obtained from the kinetic study. Quantitative agreement is found between the two series of data. This shows the possibility of estimating activation free energies for electron transfer reactions from static (optical) measurements.

  5. 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.

  6. 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.

  7. Observation of Secondary Magnetic Transition in Tetragonal YBa2Cu3Ox (6.1≤x≤6.4)

    NASA Astrophysics Data System (ADS)

    Matsumura, Masahiro; Yamagata, Hideki; Yamada, Yoshihiro; Ishida, Kenji; Kitaoka, Yoshio; Asayama, Kunisuke; Takagi, Hidenori; Iwabuchi, Hiroyuki; Uchida, Shin-ichi

    1989-03-01

    Temperature dependence of nuclear resonance spectra for the chain Cu(1) and the plane Cu(2) sites was investigated in the oxygen-deficient tetragonal YBa2Cu3Ox (6.1≤x≤6.4). The divergence of the spin-echo decay rate for the NQR at the Cu(1) site was observed at about 20 K, irrespective of the oxygen concentration, x, in x≥6.2. Below this critical temperature, only the NQR line broadening becomes significant without any resonance shifts. The spin-echo decay rate for the NMR at the Cu(2) site in the sample with x{=}6.2 also increases divergently when the temperature is raised to the critical temperature. These facts directly indicate the secondary transition associated with the moments on the Cu(2) sites at about 20 K, which is well below the Néel temperature. Some discussions are included for the magnetic structure below the transition temperature.

  8. 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

  9. 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.

  10. Crystallization Pathways in Biomineralization

    NASA Astrophysics Data System (ADS)

    Weiner, Steve; Addadi, Lia

    2011-08-01

    A crystallization pathway describes the movement of ions from their source to the final product. Cells are intimately involved in biological crystallization pathways. In many pathways the cells utilize a unique strategy: They temporarily concentrate ions in intracellular membrane-bound vesicles in the form of a highly disordered solid phase. This phase is then transported to the final mineralization site, where it is destabilized and crystallizes. We present four case studies, each of which demonstrates specific aspects of biological crystallization pathways: seawater uptake by foraminifera, calcite spicule formation by sea urchin larvae, goethite formation in the teeth of limpets, and guanine crystal formation in fish skin and spider cuticles. Three representative crystallization pathways are described, and aspects of the different stages of crystallization are discussed. An in-depth understanding of these complex processes can lead to new ideas for synthetic crystallization processes of interest to materials science.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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...

  18. Triangular ice crystals

    NASA Astrophysics Data System (ADS)

    Murray, Benjamin; Salzmann, Christoph; Heymsfield, Andrew; Neely, Ryan

    2014-05-01

    We are all familiar with the hexagonal form of snow crystals and it is well established that this shape is derived from the arrangement of water molecules in the crystal lattice. However, crystals with a triangular form are often found in the Earth's atmosphere and the reason for this non-hexagonal shape has remained elusive. Recent laboratory work has shed light on why ice crystals should take on this triangular or three-fold scalene habit. Studies of the crystal structure of ice have shown that ice which initially crystallises can be made of up of hexagonal layers which are interlaced with cubic layers to produce a 'stacking disordered ice'. The degree of stacking disorder can vary from crystals which are dominantly hexagonal with a few cubic stacking faults, through to ice where the cubic and hexagonal sequences are fully randomised. The introduction of stacking disorder to ice crystals reduces the symmetry of the crystal from 6-fold (hexagonal) to 3-fold (triangular); this offers an explanation for the long standing problem of why some atmospheric ice crystals have a triangular habit. We discuss the implications of triangular crystals for halos, radiative properties, and also discuss the implications for our understanding of the nucleation and early stages of ice crystal growth for ice crystals in the atmosphere.

  19. 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…

  20. 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.

  1. Understanding single-crystal superalloys

    NASA Technical Reports Server (NTRS)

    Dreshfield, Robert L.

    1986-01-01

    The unique properties of single crystals are considered. The anisotropic properties of single crystals, and the relation between crystal orientation and the fatigue life and slip systems of the crystals are examined. The effect of raft formation on the creep-rupture life of the crystals is studied. Proposed research on the properties of and new applications for single crystals is discussed.

  2. 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.

  3. 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.

  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. Ethyl 6-(4-meth­oxy­phen­yl)-2-oxo-4-phenyl­cyclo­hex-3-ene­carboxyl­ate

    PubMed Central

    Fun, Hoong-Kun; Farhadikoutenaei, Abbas; Sarojini, B. K.; Mohan, B. J.; Narayana, B.

    2012-01-01

    The asymmetric unit of the title compound, C22H22O4, consists of two independent mol­ecules (A and B). The cyclo­hexene rings adopt slightly distorted sofa conformations in both mol­ecules. The dihedral angles between the benzene rings are 74.16 (13) and 71.85 (13)° in mol­ecules A and B, respectively. In the crystal, weak C—H⋯O hydrogen bonds link the mol­ecules into a ribbon-like structure along the b axis. Weak C—H⋯π inter­actions are also observed. PMID:22969665

  6. 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

  7. Surface deformation and subsurface slip of the 28 March 1999 Mw = 6.4 west Himalayan Chamoli earthquake from InSAR analysis

    NASA Astrophysics Data System (ADS)

    Satyabala, S. P.; Bilham, Roger

    2006-12-01

    We report InSAR observations of coseismic ground deformation caused by the Mw6.4 Chamoli earthquake of March 28, 1999 in the western Himalaya near the surface trace of the Main Central Thrust. Analysis of ERS1/2-SAR data from ascending and descending tracks reveals surface deformation in a region 30 km by 40 km with a maximum coseismic uplift of ~60 mm. Assuming that the rupture occurred as a planar uniform slip dislocation in an elastic half space reveals slip of 0.55 +/- 0.1 m, strike of N300°E, 15° dip, with fault dimensions of 13 +/- 3 km along-strike and 10 +/- 3 km downdip. The corresponding moment magnitude is Mw = 6.2, lower than that derived from seismological methods. With the exception of the recent 2005 Kashmir earthquake, the Chamoli earthquake studied in this paper is the only Himalayan earthquake for which surface deformation data are available from directly above the epicenter.

  8. M -shell x-ray production by 0. 6--4. 0-MeV protons in ten elements from hafnium to thorium

    SciTech Connect

    Pajek, M. ); Kobzev, A.P.; Sandrik, R.; Skrypnik, A.V. ); Ilkhamov, R.A.; Khusmurodov, S.H. ); Lapicki, G. )

    1990-07-01

    {ital M}-shell x-ray production cross sections for selected heavy elements, namely, {sub 72}Hf, {sub 73}Ta, {sub 74}W, {sub 75}Re, {sub 76}Os, {sub 77}Ir, {sub 78}Pt, {sub 79}Au, {sub 83}Bi, and {sub 90}Th, were measured for protons of energy 0.6--4.0 MeV. The experimental results are compared with the predictions of the first Born and semiclassical approximations for {ital M}-shell ionization; these data are also compared with the theory that accounts for the projectile's energy loss and Coulomb deflection as well as for the target's {ital M}-shell electron perturbed stationary state and relativistic nature (ECPSSR). Generally, fair agreement between the data and the ECPSSR theory is found. Some systematical discrepancies observed for the lightest elements (Hf, Ta, and W) are explained as possible ambiguities in the {ital M}-shell Coster-Kronig factors and fluorescence yields, which were used to convert theoretical {ital M}-subshell ionization cross sections to the total {ital M}-x-ray production cross sections. The experimental total {ital M}-shell ionization cross sections were obtained from measured {ital M}-x-ray cross sections using the proposed approximate average fluorescence yield {bar {omega}}{sub {ital M}} that relies on two fluorescence yields and the Coster-Kronig factor for {ital only} {ital M}{sub 4} and {ital M}{sub 5} subshells.

  9. 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

  10. 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.

  11. Synthesis of polypyrrole within the cell wall of yeast by redox-cycling of [Fe(CN)6](3-)/[Fe(CN)6](4-).

    PubMed

    Ramanavicius, Arunas; Andriukonis, Eivydas; Stirke, Arunas; Mikoliunaite, Lina; Balevicius, Zigmas; Ramanaviciene, Almira

    2016-02-01

    Yeast cells are often used as a model system in various experiments. Moreover, due to their high metabolic activity, yeast cells have a potential to be applied as elements in the design of biofuel cells and biosensors. However a wider application of yeast cells in electrochemical systems is limited due to high electric resistance of their cell wall. In order to reduce this problem we have polymerized conducting polymer polypyrrole (Ppy) directly in the cell wall and/or within periplasmic membrane. In this research the formation of Ppy was induced by [Fe(CN)6](3-)ions, which were generated from K4[Fe(CN)6], which was initially added to polymerization solution. The redox process was catalyzed by oxido-reductases, which are present in the plasma membrane of yeast cells. The formation of Ppy was confirmed by spectrophotometry and atomic force microscopy. It was confirmed that the conducting polymer polypyrrole was formed within periplasmic space and/or within the cell wall of yeast cells, which were incubated in solution containing pyrrole, glucose and [Fe(CN)6](4-). After 24h drying at room temperature we have observed that Ppy-modified yeast cell walls retained their initial spherical form. In contrast to Ppy-modified cells, the walls of unmodified yeast have wrinkled after 24h drying. The viability of yeast cells in the presence of different pyrrole concentrations has been evaluated.

  12. 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.

  13. Competition of nucleoside transport inhibitors with binding of 6-[(4-nitrobenzyl)-mercapto]purine ribonucleoside to intact erythrocytes and ghost membranes from different species.

    PubMed

    Ogbunude, P O; Baer, H P

    1990-04-01

    The potency of nucleoside transport inhibitors, including 6-[(4-nitrobenzyl)-mercapto]purine ribonucleoside (NBMPR), dilazep, mioflazine and its derivatives soluflazine and R57974 as inhibitors of the binding of [3H(G)]NBMPR to intact erythrocytes and respective ghost membranes from human, mouse and hamster was determined. There was no close agreement between the IC50 profiles for the different inhibitors when comparing values obtained for intact cells and membranes from each species, and there was no consistent profile of differences when considering individual drugs and comparing their actions in the three species. Present data also were compared with potency values obtained previously with the same drugs directly in nucleoside transport inhibition studies with erythrocytes from the same species as well as with [3H(G)]NBMPR binding studies in isolated liver and lung membranes from hamster. The overall conclusion from this and previous studies is that the evaluation of relative potencies in screening of potential nucleoside transport inhibitors is best carried out at the level actual nucleoside transport studies in intact cells, since [3H(G)]NBMPR binding studies yield discrepant data. PMID:2322305

  14. 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}).

  15. 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.

  16. 6-(4-Methyl­phen­yl)-1,3,5-triazine-2,4-di­amine–benzoic acid (1/1)

    PubMed Central

    Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Lavanya, Palanisamy; Balasubramani, Kasthuri

    2013-01-01

    The benzoic acid mol­ecule of the title adduct, C10H11N5·C7H6O2, is approximately planar, with a dihedral angle of 7.2 (3)° between the carb­oxy­lic acid group and the benzene ring. In the triazine mol­ecule, the plane of the triazine ring makes a dihedral angle of 28.85 (9)° with that of the adjacent benzene ring. In the crystal, the two components are linked by N—H⋯O and O—H⋯N hydrogen bonds with an R 2 2(8) motif, thus generating a 1 + 1 unit of triazine and benzoic acid mol­ecules. The acid–base units are further connected by N—H⋯N hydrogen bonds with R 2 2(8) motifs, forming a supra­molecular ribbon along [101]. The crystal structure also features weak π–π [centroid–centroid distances = 3.7638 (12) and 3.6008 (12) Å] and C—H⋯π inter­actions. PMID:23795125

  17. Molecular dynamics simulations of glycine crystal-solution interface

    NASA Astrophysics Data System (ADS)

    Banerjee, Soumik; Briesen, Heiko

    2009-11-01

    Glycine is an amino acid that has several applications in the pharmaceutical industry. Hence, growth of α-glycine crystals through solution crystallization is an important process. To gain a fundamental understanding of the seeded growth of α-glycine from aqueous solution, the (110) face of α-glycine crystal in contact with a solution of glycine in water has been simulated with molecular dynamics. The temporal change in the location of the interface of the α-glycine crystal seed has been characterized by detecting a density gradient. It is found that the α-glycine crystal dissolves with time at a progressively decreasing rate. Diffusion coefficients of glycine adjacent to (110) face of α-glycine crystal have been calculated at various temperatures (280, 285, 290, 295, and 300 K) and concentrations (3.6, 4.5, and 6.0 mol/l) and compared to that in the bulk solution. In order to gain a fundamental insight into the nature of variation in such properties at the interface and the bulk, the formation of hydrogen bonds at various temperatures and concentrations has been investigated. It is found that the nature of interaction between various atoms of glycine molecules, as characterized by radial distribution functions, can provide interesting insight into the formation of hydrogen bonds that in turn affect the diffusion coefficients at the interface.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. Protein crystallization in microgravity.

    PubMed

    Aibara, S; Shibata, K; Morita, Y

    1997-12-01

    A space experiment involving protein crystallization was conducted in a microgravity environment using the space shuttle "Endeavour" of STS-47, on a 9-day mission from September 12th to 20th in 1992. The crystallization was carried out according to a batch method, and 5 proteins were selected as flight samples for crystallization. Two of these proteins: hen egg-white lysozyme and co-amino acid: pyruvate aminotransferase from Pseudomonas sp. F-126, were obtained as single crystals of good diffraction quality. Since 1992 we have carried out several space experiments for protein crystallization aboard space shuttles and the space station MIR. Our experimental results obtained mainly from hen egg-white lysozyme are described below, focusing on the effects of microgravity on protein crystal growth.

  11. 6-(4-Amino­phen­yl)-2-meth­oxy-4-phenyl­nicotino­nitrile

    PubMed Central

    Suwunwong, Thitipone; Chantrapromma, Suchada; Quah, Ching Kheng; Fun, Hoong-Kun

    2013-01-01

    In the structure of the title nicotino­nitrile derivative, C19H15N3O, the pyridine ring makes dihedral angles of 11.50 (7) and 43.36 (8)° with the 4-amino­phenyl and phenyl rings, respectively, and the dihedral angle between the phenyl rings is 36.28°. In the crystal, mol­ecules are linked by N—H⋯N hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by π–π inter­actions between the 4-amino­phenyl rings of adjacent sheets, with centroid–centroid distances of 3.7499 (9) Å. C—H⋯π inter­actions are also present. PMID:24454245

  12. 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.

  13. Automation in biological crystallization.

    PubMed

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    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.

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. Vaterite Crystals Contain Two Interspersed Crystal Structures

    NASA Astrophysics Data System (ADS)

    Kabalah-Amitai, Lee; Mayzel, Boaz; Kauffmann, Yaron; Fitch, Andrew N.; Bloch, Leonid; Gilbert, Pupa U. P. A.; Pokroy, Boaz

    2013-04-01

    Calcite, aragonite, and vaterite are the three anhydrous polymorphs of calcium carbonate, in order of decreasing thermodynamic stability. Although vaterite is not commonly found in geological settings, it is an important precursor in several carbonate-forming systems and can be found in biological settings. Because of difficulties in obtaining large, pure, single crystals, the crystal structure of vaterite has been elusive for almost a century. Using aberration-corrected high-resolution transmission electron microscopy, we found that vaterite is actually composed of at least two different crystallographic structures that coexist within a pseudo-single crystal. The major structure exhibits hexagonal symmetry; the minor structure, existing as nanodomains within the major matrix, is still unknown.

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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

  5. 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.

  6. 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)

  7. 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…

  8. 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.

  9. 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)

  10. 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.

  11. Direct preparation of spherically agglomerated salicylic acid crystals during crystallization.

    PubMed

    Kawashima, Y; Okumura, M; Takenaka, H; Kojima, A

    1984-11-01

    Needle-like salicylic acid crystals were transformed into a spherically shaped dense form during crystallization by the spherical crystallization technique. Agitation of a mixture of ethanol-water-chloroform containing salicylic acid yielded spherically agglomerated salicylic acid crystals. The crystallinity of the agglomerated salicylic acid the amount of ethanol in the solvent mixture was decreased. The wettability of the agglomerated crystals increased when the amount of ethanol in the solvent mixture was decreased, and this enhanced the dissolution rate of the crystals. The remarkable improvements in the flow and packing of the agglomerated crystals enabled the direct compression of the crystals.

  12. Crystallization of macromolecular complexes: combinatorial complex crystallization

    NASA Astrophysics Data System (ADS)

    Stura, Enrico A.; Graille, Marc; Charbonnier, Jean-Baptiste

    2001-11-01

    The usefulness of antibody complexation, as a way of increasing the chances of crystallization needs to be re-evaluated after many antibody complexes have been crystallized and their structure determined. It is somewhat striking that among these, only a small number is a complex with a large protein antigen. The problem is that the effort of raising, cleaving and purifying an Fab is rewarded only by an extra chance of getting crystals; depending on the relative likelihood of crystallization of the complexed and uncomplexed protein. The example of the complex between HIV gp120, CD4 and an Fab fragment from a neutralizing antibody suggests that further complexation of an antigen-antibody complex with a third protein could, by increasing the number of possible combinations, improve the likelihood of crystallization. We propose the use of Ig-binding proteins as a way of extending the method from HIV gp120 to all proteins for which there are monoclonal antibodies. We discuss this technique, combinatorial complex crystallization (CCC), as part of a multi-component system for the enhancement of crystallization of macromolecular complexes. The method makes use of single Ig-binding domains from Staphylococcus aureus protein A (SpA), Peptostreptococcus magnus protein L (PpL) and the streptococcal protein G (SpG). The generality of the method depends on the ability of these domains to interact with a large repertoire of antibodies without affecting antigen binding. There is strong evidence to suggest that these Ig-binding domains bind outside the antigen-combining site of the antibody without perturbing antigen binding. It is clear from the crystal structure of the single SpG domain complexed with an Fab that the interaction involves mainly the immunoglobulin CH1 domain, a region not involved in antigen recognition. We have recently determined the structure of the complex between a human Fab and the domain D from SpA and found that steric hindrance is unlikely even for large

  13. 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

  14. Shaped Crystal Growth

    NASA Astrophysics Data System (ADS)

    Tatartchenko, Vitali A.

    Crystals of specified shape and size (shaped crystals) with controlled crystal growth (SCG) defect and impurity structure have to be grown for the successful development of modern engineering. Since the 1950s many hundreds of papers and patents concerned with shaped growth have been published. In this chapter, we do not try to enumerate the successful applications of shaped growth to different materials but rather to carry out a fundamental physical and mathematical analysis of shaping as well as the peculiarities of shaped crystal structures. Four main techniques, based on which the lateral surface can be shaped without contact with the container walls, are analyzed: the Czochralski technique (CZT), the Verneuil technique (VT), the floating zone technique (FZT), and technique of pulling from shaper (TPS). Modifications of these techniques are analyzed as well. In all these techniques the shape of the melt meniscus is controlled by surface tension forces, i.e., capillary forces, and here they are classified as capillary shaping techniques (CST). We look for conditions under which the crystal growth process in each CST is dynamically stable. Only in this case are all perturbations attenuated and a crystal of constant cross section shaping technique (CST) grown without any special regulation. The dynamic stability theory of the crystal growth process for all CST is developed on the basis of Lyapunov's dynamic stability theory. Lyapunov's equations for the crystal growth processes follow from fundamental laws. The results of the theory allow the choice of stable regimes for crystal growth by all CST as well as special designs of shapers in TPS. SCG experiments by CZT, VT, and FZT are discussed but the main consideration is given to TPS. Shapers not only allow crystal of very complicated cross section to be grown but provide a special distribution of impurities. A history of TPS is provided later in the chapter, because it can only be described after explanation of the

  15. 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.

  16. 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.

  17. 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.

  18. Glycine lithium nitrate crystals

    NASA Astrophysics Data System (ADS)

    González-Valenzuela, R.; Hernández-Paredes, J.; Medrano-Pesqueira, T.; Esparza-Ponce, H. E.; Jesús-Castillo, S.; Rodriguez-Mijangos, R.; Terpugov, V. S.; Alvarez-Ramos, M. E.; Duarte-Möller, A.

    Crystals of glycine lithium nitrate with non-linear optical properties have been grown in a solution by slow evaporation at room temperature. The crystal shows a good thermal stability from room temperature to 175 °C where the crystal begins to degrade. This property is desirable for future technological applications. Also, a good performance on the second harmonic generation was found, characterizing the emitted dominant wavelength by a customized indirect procedure using luminance and chromaticity measured data based on the CIE-1931 standard. Additionally, the 532 nm signal was detected by using a variant to the Kurtz and Perry method.

  19. 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.

  20. Hypersonic phononic crystals.

    PubMed

    Gorishnyy, T; Ullal, C K; Maldovan, M; Fytas, G; Thomas, E L

    2005-03-25

    In this Letter we propose the use of hypersonic phononic crystals to control the emission and propagation of high frequency phonons. We report the fabrication of high quality, single crystalline hypersonic crystals using interference lithography and show that direct measurement of their phononic band structure is possible with Brillouin light scattering. Numerical calculations are employed to explain the nature of the observed propagation modes. This work lays the foundation for experimental studies of hypersonic crystals and, more generally, phonon-dependent processes in nanostructures.

  1. Quantum Hall Liquid Crystals

    NASA Astrophysics Data System (ADS)

    Radzihovsky, Leo

    2003-03-01

    Liquid-crystals, defined as states of matter intermediate in their properties between fully disordered isotropic liquids and fully ordered crystals are ubiquitous in nature. Recent transport measurements on two-dimensional electron systems in moderate magnetic fields suggest the existence of a spontaneously orientationally-ordered, compressible liquid state. I will discuss electronic liquid-crystals interpretation of these experiments, focusing on a recently proposed quantum Hall nematic state that is predicted to exhibit a novel, highly anisotropic q^3 density-director mode and other interesting phenomenology.

  2. 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.

  3. 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.

  4. Molecules in crystals

    NASA Astrophysics Data System (ADS)

    Spackman, Mark A.

    2013-04-01

    Hirshfeld surface analysis has developed from the serendipitous discovery of a novel partitioning of the crystal electron density into discrete molecular fragments, to a suite of computational tools used widely for the identification, analysis and discussion of intermolecular interactions in molecular crystals. The relationship between the Hirshfeld surface and very early ideas on the internal structure of crystals is outlined, and applications of Hirshfeld surface analysis are presented for three molecules of historical importance in the development of modern x-ray crystallography: hexamethylbenzene, hexamethylenetetramine and diketopiperazine.

  5. 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.

  6. Photonic crystal beam splitters.

    PubMed

    Chen, Chii-Chang; Chien, Hung-Da; Luan, Pi-Gang

    2004-11-20

    This work studies two-dimensional photonic crystal beam splitters with two input ports and two output ports. The beam splitter structure consists of two orthogonally crossed line defects and one point defect in square-lattice photonic crystals. The point defect is positioned at the intersection of the line defects to divide the input power into output ports. If the position and the size of the point defect are varied, the power of two output ports can be identical. The beam splitters can be used in photonic crystal Mach-Zehnder interferometers or switches. The simulation results show that a large bandwidth of the extinction ratio larger than 20 dB can be obtained while two beams are interfered in the beam splitters. This enables photonic crystal beam splitters to be used in fiber optic communication systems.

  7. 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

  8. 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.

  9. 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.

  10. 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)

  11. 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.

  12. 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)

  13. 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.

  14. SINGLE CRYSTAL NEUTRON DIFFRACTION.

    SciTech Connect

    KOETZLE,T.F.

    2001-03-13

    Single-crystal neutron diffraction measures the elastic Bragg reflection intensities from crystals of a material, the structure of which is the subject of investigation. A single crystal is placed in a beam of neutrons produced at a nuclear reactor or at a proton accelerator-based spallation source. Single-crystal diffraction measurements are commonly made at thermal neutron beam energies, which correspond to neutron wavelengths in the neighborhood of 1 Angstrom. For high-resolution studies requiring shorter wavelengths (ca. 0.3-0.8 Angstroms), a pulsed spallation source or a high-temperature moderator (a ''hot source'') at a reactor may be used. When complex structures with large unit-cell repeats are under investigation, as is the case in structural biology, a cryogenic-temperature moderator (a ''cold source'') may be employed to obtain longer neutron wavelengths (ca. 4-10 Angstroms). A single-crystal neutron diffraction analysis will determine the crystal structure of the material, typically including its unit cell and space group, the positions of the atomic nuclei and their mean-square displacements, and relevant site occupancies. Because the neutron possesses a magnetic moment, the magnetic structure of the material can be determined as well, from the magnetic contribution to the Bragg intensities. This latter aspect falls beyond the scope of the present unit; for information on magnetic scattering of neutrons see Unit 14.3. Instruments for single-crystal diffraction (single-crystal diffractometers or SCDs) are generally available at the major neutron scattering center facilities. Beam time on many of these instruments is available through a proposal mechanism. A listing of neutron SCD instruments and their corresponding facility contacts is included in an appendix accompanying this unit.

  15. 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.

  16. 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.

  17. High-throughput crystallization screening.

    PubMed

    Skarina, Tatiana; Xu, Xiaohui; Evdokimova, Elena; Savchenko, Alexei

    2014-01-01

    Protein structure determination by X-ray crystallography is dependent on obtaining a single protein crystal suitable for diffraction data collection. Due to this requirement, protein crystallization represents a key step in protein structure determination. The conditions for protein crystallization have to be determined empirically for each protein, making this step also a bottleneck in the structure determination process. Typical protein crystallization practice involves parallel setup and monitoring of a considerable number of individual protein crystallization experiments (also called crystallization trials). In these trials the aliquots of purified protein are mixed with a range of solutions composed of a precipitating agent, buffer, and sometimes an additive that have been previously successful in prompting protein crystallization. The individual chemical conditions in which a particular protein shows signs of crystallization are used as a starting point for further crystallization experiments. The goal is optimizing the formation of individual protein crystals of sufficient size and quality to make them suitable for diffraction data collection. Thus the composition of the primary crystallization screen is critical for successful crystallization.Systematic analysis of crystallization experiments carried out on several hundred proteins as part of large-scale structural genomics efforts allowed the optimization of the protein crystallization protocol and identification of a minimal set of 96 crystallization solutions (the "TRAP" screen) that, in our experience, led to crystallization of the maximum number of proteins.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. Magnetically actuated liquid crystals.

    PubMed

    Wang, Mingsheng; He, Le; Zorba, Serkan; Yin, Yadong

    2014-07-01

    Ferrimagnetic inorganic nanorods have been used as building blocks to construct liquid crystals with optical properties that can be instantly and reversibly controlled by manipulating the nanorod orientation using considerably weak external magnetic fields (1 mT). Under an alternating magnetic field, they exhibit an optical switching frequency above 100 Hz, which is comparable to the performance of commercial liquid crystals based on electrical switching. By combining magnetic alignment and lithography processes, it is also possible to create patterns of different polarizations in a thin composite film and control over the transmittance of light in particular areas. Developing such magnetically responsive liquid crystals opens the door toward various applications, which may benefit from the instantaneous and contactless nature of magnetic manipulation.

  4. Photonic Crystal Microchip Laser

    PubMed Central

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-01-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation. PMID:27683066

  5. Flexible ferroelectric organic crystals

    NASA Astrophysics Data System (ADS)

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-10-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity--the properties that originate from their non-centrosymmetric crystal lattice--but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals.

  6. Flexible ferroelectric organic crystals

    PubMed Central

    Owczarek, Magdalena; Hujsak, Karl A.; Ferris, Daniel P.; Prokofjevs, Aleksandrs; Majerz, Irena; Szklarz, Przemysław; Zhang, Huacheng; Sarjeant, Amy A.; Stern, Charlotte L.; Jakubas, Ryszard; Hong, Seungbum; Dravid, Vinayak P.; Stoddart, J. Fraser

    2016-01-01

    Flexible organic materials possessing useful electrical properties, such as ferroelectricity, are of crucial importance in the engineering of electronic devices. Up until now, however, only ferroelectric polymers have intrinsically met this flexibility requirement, leaving small-molecule organic ferroelectrics with room for improvement. Since both flexibility and ferroelectricity are rare properties on their own, combining them in one crystalline organic material is challenging. Herein, we report that trisubstituted haloimidazoles not only display ferroelectricity and piezoelectricity—the properties that originate from their non-centrosymmetric crystal lattice—but also lend their crystalline mechanical properties to fine-tuning in a controllable manner by disrupting the weak halogen bonds between the molecules. This element of control makes it possible to deliver another unique and highly desirable property, namely crystal flexibility. Moreover, the electrical properties are maintained in the flexible crystals. PMID:27734829

  7. 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.

  8. Photonic Crystal Microchip Laser

    NASA Astrophysics Data System (ADS)

    Gailevicius, Darius; Koliadenko, Volodymyr; Purlys, Vytautas; Peckus, Martynas; Taranenko, Victor; Staliunas, Kestutis

    2016-09-01

    The microchip lasers, being very compact and efficient sources of coherent light, suffer from one serious drawback: low spatial quality of the beam strongly reducing the brightness of emitted radiation. Attempts to improve the beam quality, such as pump-beam guiding, external feedback, either strongly reduce the emission power, or drastically increase the size and complexity of the lasers. Here it is proposed that specially designed photonic crystal in the cavity of a microchip laser, can significantly improve the beam quality. Experiments show that a microchip laser, due to spatial filtering functionality of intracavity photonic crystal, improves the beam quality factor M2 reducing it by a factor of 2, and increase the brightness of radiation by a factor of 3. This comprises a new kind of laser, the “photonic crystal microchip laser”, a very compact and efficient light source emitting high spatial quality high brightness radiation.

  9. 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.

  10. Cirrus Crystal Terminal Velocities.

    NASA Astrophysics Data System (ADS)

    Heymsfield, Andrew J.; Iaquinta, Jean

    2000-04-01

    Cirrus crystal terminal velocities are of primary importance in determining the rate of transport of condensate from upper- to middle-tropospheric levels and profoundly influence the earth's radiation balance through their effect on the rate of buildup or decay of cirrus clouds. In this study, laboratory and field-based cirrus crystal drag coefficient data, as well as analytical descriptions of cirrus crystal shapes, are used to derive more physically based expressions for the velocities of cirrus crystals than have been available in the past.Polycrystals-often bullet rosettes-are shown to be the dominant crystal types in synoptically generated cirrus, with columns present in varying but relatively large percentages, depending on the cloud. The two critical parameters needed to calculate terminal velocity are the drag coefficient and the ratio of mass to cross-sectional area normal to their fall direction. Using measurements and calculations, it is shown that drag coefficients from theory and laboratory studies are applicable to crystals of the types found in cirrus. The ratio of the mass to area, which is shown to be relatively independent of the number of bullets in the rosette, is derived from an analytic model that represents bullet rosettes containing one to eight bullets in 19 primary geometric configurations. The ratio is also derived for columns. Using this information, a general set of equations is developed to calculate the terminal velocities and masses in terms of the aspect ratio (width divided by length), ice density, and rosette maximum dimension. Simple expressions for terminal velocity and mass as a function of bullet rosette maximum dimension are developed by incorporating new information on bullet aspect ratios.The general terminal velocity and mass relations are then applied to a case from the First International Satellite Cloud Climatology Project (ISCCP) Research Experiment (FIRE) 2, when size spectra from a balloon-borne ice crystal

  11. 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.

  12. 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.

  13. 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)

  14. 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.

  15. Crystallization seeds favour crystallization only during initial growth

    PubMed Central

    Allahyarov, E.; Sandomirski, K.; Egelhaaf, S.U.; Löwen, H.

    2015-01-01

    Crystallization represents the prime example of a disorder–order transition. In realistic situations, however, container walls and impurities are frequently present and hence crystallization is heterogeneously seeded. Rarely the seeds are perfectly compatible with the thermodynamically favoured crystal structure and thus induce elastic distortions, which impede further crystal growth. Here we use a colloidal model system, which not only allows us to quantitatively control the induced distortions but also to visualize and follow heterogeneous crystallization with single-particle resolution. We determine the sequence of intermediate structures by confocal microscopy and computer simulations, and develop a theoretical model that describes our findings. The crystallite first grows on the seed but then, on reaching a critical size, detaches from the seed. The detached and relaxed crystallite continues to grow, except close to the seed, which now prevents crystallization. Hence, crystallization seeds facilitate crystallization only during initial growth and then act as impurities. PMID:25975451

  16. 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.

  17. 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).

  18. 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.

  19. 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.

  20. 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.

  1. 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…

  2. Computer-assisted Crystallization.

    ERIC Educational Resources Information Center

    Semeister, Joseph J., Jr.; Dowden, Edward

    1989-01-01

    To avoid a tedious task for recording temperature, a computer was used for calculating the heat of crystallization for the compound sodium thiosulfate. Described are the computer-interfacing procedures. Provides pictures of laboratory equipment and typical graphs from experiments. (YP)

  3. Single crystals of inulin.

    PubMed

    André, I; Putaux, J L; Chanzy, H; Taravel, F R; Timmermans, J W; de Wit, D

    1996-04-01

    Lamellar crystals of inulin were grown by crystallizing sharp fractions of low molecular weight inulin from dilute aqueous ethanol solutions. The crystals were analyzed using three-dimensional electron diffraction and X-ray powder diagrams. Two crystalline polymorphs were observed, depending on the hydration conditions: a hydrated form which indexed on an orthorhombic unit cell, with space group P2(1)2(1)2(1) and with cell dimensions of a = 1.670 nm, b = 0.980 nm and c (chain axis) = 1.47 nm, together with a pseudo-hexagonal semi-hydrated form with unit cell parameters a = 1.670 nm, b = 0.965 nm and c (chain axis) = 1.44 nm. These parameters, together with the density data, indicate that inulin crystallizes along a pseudo-hexagonal six-fold symmetry with an advance per monomer of 0.24 nm. The difference between the hydrated and the semi-hydrated unit cells does not seem to correspond to any change in the conformation of inulin, but rather to a variation in water content.

  4. 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...

  5. Copolymer Crystallization: Approaching Equilibrium

    NASA Astrophysics Data System (ADS)

    Crist, Buckley; Finerman, Terry

    2002-03-01

    Random ethylene-butene copolymers of uniform chemical composition and degree of polymerization are crystallized by evaporation of thin films (1 μ m - 5 μ m) from solution. Macroscopic films ( 100 μm) formed by sequential layer deposition are characterized by density, calorimetry and X-ray techniques. Most notable is the density, which in some cases implies a crystalline fraction nearly 90% of the equilibrium value calculated from Flory theory. Melting temperature of these solution deposited layers is increased by as much as 8 ^oC over Tm for the same polymer crystallized from the melt. Small-angle X-ray scattering indicates that the amorphous layer thickness is strongly reduced by this layered crystallization process. X-ray diffraction shows a pronounced orientation of chain axes and lamellar normals parallel to the normal of the macroscopic film. It is clear that solvent enhances chain mobility, permitting proper sequences to aggregate and crystallize in a manner that is never achieved in the melt.

  6. Correlating Structure and Crystallization Conditions for Ethylene Copolymers by Real-Time SALS

    NASA Astrophysics Data System (ADS)

    Akpalu, Yvonne A.; Li, Ying

    2003-03-01

    The melting behavior of a homogeneous ethylene-butene copolymer (Mw = 70,000 g/mol; ρ = 0.90 g/cm^3; 6.4 mol % comonomer) is studied by the simultaneous measurement of transmitted light and small angle light scattering (SALS) under cross polarized (H_V) and parallel polarized (V_V) optical alignments. Measurements were performed on samples crystallized at several temperatures ranging from room temperature to 110 ^oC (16 ^oC above the peak melting temperature (94 ^oC) of quenched samples) for various crystallization times (1 hr to 72 hrs). We show that the final melting temperature (T_m^f) can be determined from our SALS measurements. T_m^f values we obtain from HV and VV SALS measurements are in good agreement with values from differential scanning calorimetry (DSC) and small angle x-ray scattering (SAXS) for samples with the same thermal history. From SALS we are able to evaluate how the crystallization conditions determine the segregation between the first forming and latter forming crystals and, the number of crystal populations observed by DSC. We are also able to determine the time and temperature dependence of the fraction of the first forming crystals. We discuss the implications of our results for understanding how chain microstructure and crystallization conditions affect the structure of copolymers of ethylene and α-olefins.

  7. Rh(I)-catalyzed intramolecular [2 + 2 + 1] cycloaddition of allenenes: Construction of bicyclo[4.3.0]nonenones with an angular methyl group and tricyclo[6.4.0.0]dodecenone.

    PubMed

    Inagaki, Fuyuhiko; Itoh, Naoya; Hayashi, Yujiro; Matsui, Yumi; Mukai, Chisato

    2011-04-07

    The [RhCl(CO)dppp](2)-catalyzed intramolecular carbonylative [2 + 2 + 1] cycloaddition of allenenes was developed to prepare bicyclo[4.3.0]nonenones possessing a methyl group at the ring junction, which is difficult to achieve by the Pauson-Khand reaction of the corresponding enynes. This method also provided a new procedure for the construction of the tricyclo[6.4.0.0(1,5)]dodecenone framework in a satisfactory yield.

  8. 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.

  9. 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.

  10. 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.

  11. Macromolecular crystal growth in microgravity

    NASA Astrophysics Data System (ADS)

    McPherson, Alexander

    1996-03-01

    Two T=1 and one T=3 plant viruses, along with a protein were crystallized in microgravity during the International Microgravity Laboratory-2 (IML-2) mission in July of 1994 (Koszelak, et al. 1995). The method employed was liquid-liquid diffusion in the European Space Agency's Advanced Protein Crystallization Facility (APCF). Distinctive alterations in the habits of Turnip Yellow Mosaic Virus (TYMV) crystals and hexagonal canavalin crystals were observed. Crystals of cubic Satellite Tobacco Mosaic Virus (STMV) more than thirty times the volume of crystals grown in the laboratory were produced in microgravity. X-ray diffraction analysis demonstrated that both crystal forms of canavalin and the cubic STMV crystals diffracted to significantly higher resolution and had superior diffraction properties as judged by relative Wilson plots.

  12. 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

  13. 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

  14. Dichroism in Helicoidal Crystals.

    PubMed

    Cui, Xiaoyan; Nichols, Shane M; Arteaga, Oriol; Freudenthal, John; Paula, Froilanny; Shtukenberg, Alexander G; Kahr, Bart

    2016-09-21

    Accounting for the interactions of light with heterogeneous, anisotropic, absorbing, optically active media is part of the characterization of complex, transparent materials. Stained biological structures in thin tissue sections share many of these features, but systematic optical analyses beyond the employ of the simple petrographic microscopes have not be established. Here, this accounting is made for polycrystalline, spherulitic bundles of twisted d-mannitol lamellae grown from melts containing light-absorbing molecules. It has long been known that a significant percentage of molecular crystals readily grow as helicoidal ribbons with mesoscale pitches, but a general appreciation of the commonality of these non-classical crystal forms has been lost. Helicoidal crystal twisting was typically assayed by analyzing refractivity modulation in the petrographic microscope. However, by growing twisted crystals from melts in the presence of dissolved, light-absorbing molecules, crystal twisting can be assayed by analyzing the dichroism, both linear and circular. The term "helicoidal dichroism" is used here to describe the optical consequences of anisotropic absorbers precessing around radii of twisted crystalline fibrils or lamellae. d-Mannitol twists in two polymorphic forms, α and δ. The two polymorphs, when grown from supercooled melts in the presence of a variety of histochemical stains and textile dyes, are strongly dichroic in linearly polarized white light. The bis-azo dye Chicago sky blue is modeled because it is most absorbing when parallel and perpendicular to the radial axes in the respective spherulitic polymorphs. Optical properties were measured using Mueller matrix imaging polarimetry and simulated by taking into account the microstructure of the lamellae. The optical analysis of the dyed, patterned polycrystals clarifies aspects of the mesostructure that can be difficult to extract from bundles of tightly packed fibrils. PMID:27617640

  15. Dichroism in Helicoidal Crystals.

    PubMed

    Cui, Xiaoyan; Nichols, Shane M; Arteaga, Oriol; Freudenthal, John; Paula, Froilanny; Shtukenberg, Alexander G; Kahr, Bart

    2016-09-21

    Accounting for the interactions of light with heterogeneous, anisotropic, absorbing, optically active media is part of the characterization of complex, transparent materials. Stained biological structures in thin tissue sections share many of these features, but systematic optical analyses beyond the employ of the simple petrographic microscopes have not be established. Here, this accounting is made for polycrystalline, spherulitic bundles of twisted d-mannitol lamellae grown from melts containing light-absorbing molecules. It has long been known that a significant percentage of molecular crystals readily grow as helicoidal ribbons with mesoscale pitches, but a general appreciation of the commonality of these non-classical crystal forms has been lost. Helicoidal crystal twisting was typically assayed by analyzing refractivity modulation in the petrographic microscope. However, by growing twisted crystals from melts in the presence of dissolved, light-absorbing molecules, crystal twisting can be assayed by analyzing the dichroism, both linear and circular. The term "helicoidal dichroism" is used here to describe the optical consequences of anisotropic absorbers precessing around radii of twisted crystalline fibrils or lamellae. d-Mannitol twists in two polymorphic forms, α and δ. The two polymorphs, when grown from supercooled melts in the presence of a variety of histochemical stains and textile dyes, are strongly dichroic in linearly polarized white light. The bis-azo dye Chicago sky blue is modeled because it is most absorbing when parallel and perpendicular to the radial axes in the respective spherulitic polymorphs. Optical properties were measured using Mueller matrix imaging polarimetry and simulated by taking into account the microstructure of the lamellae. The optical analysis of the dyed, patterned polycrystals clarifies aspects of the mesostructure that can be difficult to extract from bundles of tightly packed fibrils.

  16. 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.

  17. 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.

  18. Growing Crystals for Infrared Detectors

    NASA Technical Reports Server (NTRS)

    Lehoczky, S. L.; Szofran, F. R.

    1984-01-01

    Unidirectional solidification yields bulk crystals with compositional homogeneity. Unidirectionaly crystal-growth furnace assembly travels vertically so crystal grows upward from bottom tapered end of ampoule. Separately controlled furnaces used for hot (upper) and cold (lower) zones. New process produces ingots with radial compositional homogeneity suitable for fabricating infrared detectors.

  19. 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.

  20. Surface properties of HMX crystal

    NASA Technical Reports Server (NTRS)

    Yee, R. Y.; Adicoff, A.; Dibble, E. J.

    1980-01-01

    The surface properties of Beta-HMX crystals were studied. The surface energies of three principal crystal faces were obtained by measuring contact angles with several reference liquids. The surface energies and polarity of the three crystal faces are found to be different.

  1. 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.

  2. Mutation of histidine 105 in the T1 domain of the potassium channel Kv2.1 disrupts heteromerization with Kv6.3 and Kv6.4.

    PubMed

    Mederos Y Schnitzler, Michael; Rinné, Susanne; Skrobek, Lennart; Renigunta, Vijay; Schlichthörl, Günter; Derst, Christian; Gudermann, Thomas; Daut, Jürgen; Preisig-Müller, Regina

    2009-02-13

    The voltage-activated K(+) channel subunit Kv2.1 can form heterotetramers with members of the Kv6 subfamily, generating channels with biophysical properties different from homomeric Kv2.1 channels. The N-terminal tetramerization domain (T1) has been shown previously to play a role in Kv channel assembly, but the mechanisms controlling specific heteromeric assembly are still unclear. In Kv6.x channels the histidine residue of the zinc ion-coordinating C3H1 motif of Kv2.1 is replaced by arginine or valine. Using a yeast two-hybrid assay, we found that substitution of the corresponding histidine 105 in Kv2.1 by valine (H105V) or arginine (H105R) disrupted the interaction of the T1 domain of Kv2.1 with the T1 domains of both Kv6.3 and Kv6.4, whereas interaction of the T1 domain of Kv2.1 with itself was unaffected by this mutation. Using fluorescence resonance energy transfer (FRET), interaction could be detected between the subunits Kv2.1/Kv2.1, Kv2.1/Kv6.3, and Kv2.1/Kv6.4. Reduced FRET signals were obtained after co-expression of Kv2.1(H105V) or Kv2.1(H105R) with Kv6.3 or Kv6.4. Wild-type Kv2.1 but not Kv2.1(H105V) could be co-immunoprecipitated with Kv6.4. Co-expression of dominant-negative mutants of Kv6.3 reduced the current produced Kv2.1, but not of Kv2.1(H105R) mutants. Co-expression of Kv6.3 or Kv6.4 with wt Kv2.1 but not with Kv2.1(H105V) or Kv2.1(H105R) changed the voltage dependence of activation of the channels. Our results suggest that His-105 in the T1 domain of Kv2.1 is required for functional heteromerization with members of the Kv6 subfamily. We conclude from our findings that Kv2.1 and Kv6.x subunits have complementary T1 domains that control selective heteromerization. PMID:19074135

  3. 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.

  4. 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.

  5. Crystallization-induced properties from morphology-controlled organic crystals.

    PubMed

    Park, Chibeom; Park, Ji Eun; Choi, Hee Cheul

    2014-08-19

    During the past two decades, many materials chemists have focused on the development of organic molecules that can serve as the basis of cost-effective and flexible electronic, optical, and energy conversion devices. Among the potential candidate molecules, metal-free or metal-containing conjugated organic molecules offer high-order electronic conjugation levels that can directly support fast charge carrier transport, rapid optoelectric responses, and reliable exciton manipulation. Early studies of these molecules focused on the design and synthesis of organic unit molecules that exhibit active electrical and optical properties when produced in the form of thin film devices. Since then, researchers have worked to enhance the properties upon crystallization of the unit molecules as single crystals provide higher carrier mobilities and exciton recombination yields. Most recently, researchers have conducted in-depth studies to understand how crystallization induces property changes, especially those that depend on specific crystal surfaces. The different properties that depend on the crystal facets have been of particular interest. Most unit molecules have anisotropic structures, and therefore produce crystals with several unique crystal facets with dissimilar molecular arrangements. These structural differences would also lead to diverse electrical conductance, optical absorption/emission, and even chemical interaction properties depending on the crystal facet investigated. To study the effects of crystallization and crystal facet-dependent property changes, researchers must grow or synthesize crystals of highly conjugated molecules that have both a variety of morphologies and high crystallinity. Morphologically well-defined organic crystals, that form structures such as wires, rods, disks, and cubes, provide objects that researchers can use to evaluate these material properties. Such structures typically occur as single crystals with well-developed facets with

  6. 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....

  7. 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....

  8. 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....

  9. 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....

  10. 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....

  11. 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.

  12. 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.

  13. 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.

  14. Unprecedented crystal dynamics: reversible cascades of single-crystal-to-single-crystal transformations.

    PubMed

    Lv, Gao-Chao; Wang, Peng; Liu, Qing; Fan, Jian; Chen, Kai; Sun, Wei-Yin

    2012-10-21

    A series of Cu(II) complexes showed unprecedented reversible cascades of single-crystal-to-single-crystal (SCSC) transformations, and more interestingly, very rapid crystal dynamic processes were observed in this system via the substitution of coordinating components without loss of single crystallinity.

  15. 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.

  16. EDITORIAL: Photonic Crystal Devices

    NASA Astrophysics Data System (ADS)

    Bhattacharya, Pallab K.

    2007-05-01

    The engineering of electromagnetic modes at optical frequencies in artificial dielectric structures with periodic and random variation of the refractive index, enabling control of the radiative properties of the materials and photon localization, was first proposed independently by Yablonovitch and John in 1987. It is possible to control the flow of light in the periodic dielectric structures, known as photonic crystals (PC). As light waves scatter within the photonic crystal, destructive interference cancels out light of certain wavelengths, thereby forming a photonic bandgap, similar to the energy bandgap for electron waves in a semiconductor. Photons whose energies lie within the gap cannot propagate through the periodic structure. This property can be used to make a low-loss cavity. If a point defect, such as one or more missing periods, is introduced into the periodic structure a region is obtained within which the otherwise forbidden wavelengths can be locally trapped. This property can be used to realize photonic microcavities. Similarly, a line of defects can serve as a waveguide. While the realization of three-dimensional (3D) photonic crystals received considerable attention initially, planar two-dimensional (2D) structures are currently favoured because of their relative ease of fabrication. 2D photonic crystal structures provide most of the functionality of 3D structures. These attributes have generated worldwide research and development of sub-μm and μm size active and passive photonic devices such as single-mode and non- classical light sources, guided wave devices, resonant cavity detection, and components for optical communication. More recently, photonic crystal guided wave devices are being investigated for application in microfludic and biochemical sensing. Photonic crystal devices have been realized with bulk, quantum well and quantum dot active regions. The Cluster of articles in this issue of Journal of Physics D: Applied Physics provides a

  17. 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.

  18. Graphite polyhedral crystals.

    PubMed

    Gogotsi, Y; Libera, J A; Kalashnikov, N; Yoshimura, M

    2000-10-13

    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.

  19. 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.

  20. 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

  1. Crystal chemistry and real structure of crystals

    NASA Astrophysics Data System (ADS)

    Bartl, H.; Bats, J. W.; Dyck, W.; Fuess, H.; Gregory, A.; Joswig, W.; Lottermoser, W.; Koerfer, M.; Mueller, R.; Schweiss, B. P.

    1984-03-01

    Elastic and inelastic scattering, X-ray diffraction and spectroscopy were combined to obtain a comprehensive picture of the properties of crystals. The electron density distribution allows one to verify the models of the theoretical chemistry. Systematic investigations of chemically similar anions (ClO3 and ClO4; S2O3, SO3 and SO4) show differences in bonding and reaction capability. The X-ray-neutron method applied to these anions shows maxima between 0.2 and 0.4 eXA to the power-3 in the bondings of the unbound electrons on S and D. For the SO3-group good agreement is found with theoretical calculations. The effect of the Mg (two times ionized) cation on the density is demonstrated on the water molecules of MgS2O3.6H2O and MgSO3.6H2O. Magnetic structure and magnetization density were investigated on CO3V2O8, Fe2SiO4 and Mn2SiO4 with polarized neutrons. The differences in magnetic moments of both cation states is also demonstrated for Fe2SiO4 with complementary Mossbauer measurements. Inelastic time of flight experiments allow predictions concerning the motion of the NH3-group in aniliniumbromide and of the water molecule in natural zeolites. The theoretical model to calculate the photon dispersion on CaSO4 shows good agreement with the measured dispersion curves.

  2. 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.

  3. 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.

  4. 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.

  5. Photonic crystal optical memory

    NASA Astrophysics Data System (ADS)

    Lima, A. Wirth; Sombra, A. S. B.

    2011-06-01

    After several decades pushing the technology and the development of the world, the electronics is giving space for technologies that use light. We propose and analyze an optical memory embedded in a nonlinear photonic crystal (PhC), whose system of writing and reading data is controlled by an external command signal. This optical memory is based on optical directional couplers connected to a shared optical ring. Such a device can work over the C-Band of ITU (International Telecommunication Union).

  6. 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.

  7. Crystallization of human nicotinamide phosphoribosyltransferase

    SciTech Connect

    Takahashi, Ryo; Nakamura, Shota; Yoshida, Takuya; Kobayashi, Yuji; Ohkubo, Tadayasu

    2007-05-01

    Human nicotinamide phosphoribosyltransferase has been crystallized using microseeding methods and X-ray diffraction data have been collected at 2.0 Å resolution. In the NAD biosynthetic pathway, nicotinamide phosphoribosyltransferase (NMPRTase; EC 2.4.2.12) plays an important role in catalyzing the synthesis of nicotinamide mononucleotide from nicotinamide and 5′-phosphoribosyl-1′-pyrophosphate. Because the diffraction pattern of the initally obtained crystals was not suitable for structure analysis, the crystal quality was improved by successive use of the microseeding technique. The resultant crystals diffracted to 2.0 Å resolution. These crystals belonged to space group P21, with unit-cell parameters a = 60.56, b = 106.40, c = 82.78 Å. Here, the crystallization of human NMPRTase is reported in the free form; the crystals should be useful for inhibitor-soaking experiments on the enzyme.

  8. Modern trends in technical crystallization

    NASA Astrophysics Data System (ADS)

    Matz, G.

    1980-04-01

    Interesting and significant developments have occurred in the last decade in both crystallization equipment and in the theory of crystallization process. In the field of technical crystallization new crystallizers have been developed and computer modelling has become important in scaling up and in the achievement of increased performance. The DP-Kristaller developed by Escher-Wyss-Tsukishima, the Brodie purifier, the sieve tray column having dancing balls, the automated multiple crystallization process due to Mützenberg and Saxer and the double belt cooler, all of which represent technical developments, are described in the first section. The second part of the paper reviews computer modelling of the fluidized bed crystallizer, chemical precipitation, flaking and prilling. Finally, there is a brief discussion of the impact of technical crystallization processes on environmental protection.

  9. Crystallization of undercooled liquid fenofibrate.

    PubMed

    Amstad, Esther; Spaepen, Frans; Weitz, David A

    2015-11-28

    Formulation of hydrophobic drugs as amorphous materials is highly advantageous as this increases their solubility in water and therefore their bioavailability. However, many drugs have a high propensity to crystallize during production and storage, limiting the usefulness of amorphous drugs. We study the crystallization of undercooled liquid fenofibrate, a model hydrophobic drug. Nucleation is the rate-limiting step; once seeded with a fenofibrate crystal, the crystal rapidly grows by consuming the undercooled liquid fenofibrate. Crystal growth is limited by the incorporation of molecules into its surface. As nucleation and growth both entail incorporation of molecules into the surface, this process likely also limits the formation of nuclei and thus the crystallization of undercooled liquid fenofibrate, contributing to the good stability of undercooled liquid fenofibrate against crystallization.

  10. Gelled Lyotropic Liquid Crystals.

    PubMed

    Xu, Yang; Laupheimer, Michaela; Preisig, Natalie; Sottmann, Thomas; Schmidt, Claudia; Stubenrauch, Cosima

    2015-08-11

    In our previous work we were able to prove that gelled bicontinuous microemulsions are a novel type of orthogonal self-assembled system. The study at hand aims at complementing our previous work by answering the question of whether gelled lyotropic liquid crystals are also orthogonal self-assembled systems. For this purpose we studied the same system, namely, water-n-decane/12-hydroxyoctadecanoic acid (12-HOA)-n-decyl tetraoxyethylene glycol ether (C10E4). The phase boundaries of the nongelled and the gelled lyotropic liquid crystals were determined visually and with (2)H NMR spectroscopy. Oscillating shear measurements revealed that the absolute values of the storage and loss moduli of the gelled liquid crystalline (LC) phases do not differ very much from those of the binary organogel. While both the phase behavior and the rheological properties of the LC phases support the hypothesis that gelled lyotropic liquid crystals are orthogonal self-assembled systems, freeze-fracture electron microscopy (FFEM) seems to indicate an influence of the gel network on the structure of the Lα phase and vice versa.

  11. 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

  12. 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

  13. Quartz Crystal Microbalance Data

    SciTech Connect

    Baxamusa, S H

    2011-11-16

    We are using a Qpod quartz crystal microbalance (manufactured by Inficon) for use as a low-volume non-volatile residue analysis tool. Inficon has agreed to help troubleshoot some of our measurements and are requesting to view some sample data, which are attached. The basic principle of an NVR analysis is to evaporate a known volume of solvent, and weigh the remaining residue to determine the purity of the solvent. A typical NVR analysis uses 60 g of solvent and can measure residue with an accuracy of +/- 0.01 mg. The detection limit is thus (0.01 mg)/(60 g) = 0.17 ppm. We are attempting to use a quartz crystal microbalance (QCM) to make a similar measurement. The attached data show the response of the QCM as a 5-20 mg drop of solvent evaporates on its surface. The change in mass registered by the QCM after the drop evaporates is the residue that deposits on the crystal. On some measurements, the change in mass in less than zero, which is aphysical since the drop will leave behind {>=}0 mass of residue. The vendor, Inficon, has agreed to look at these data as a means to help troubleshoot the cause.

  14. 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

  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. Discovery of 6-({4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl}methyl)quinoxaline (WAY-207024): an orally active antagonist of the gonadotropin releasing hormone receptor (GnRH-R).

    PubMed

    Pelletier, Jeffrey C; Chengalvala, Murty V; Cottom, Joshua E; Feingold, Irene B; Green, Daniel M; Hauze, Diane B; Huselton, Christine A; Jetter, James W; Kopf, Gregory S; Lundquist, Joseph T; Magolda, Ronald L; Mann, Charles W; Mehlmann, John F; Rogers, John F; Shanno, Linda K; Adams, William R; Tio, Cesario O; Wrobel, Jay E

    2009-04-01

    A potent, highly insoluble, GnRH antagonist with a 2-phenyl-4-piperazinylbenzimidazole template and a quinoxaline-2,3-dione pharmacophore was modified to maintain GnRH antagonist activity and improve in vitro pharmaceutical properties. Structural changes to the quinoxaline-2,3-dione portion of the molecule resulted in several structures with improved properties and culminated in the discovery of 6-([4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl] methyl)quinoxaline (WAY-207024). The compound was shown to have excellent pharmacokinetic parameters and lowered rat plasma LH levels after oral administration.

  19. Crystal growth in salt efflorescence

    NASA Astrophysics Data System (ADS)

    Zehnder, Konrad; Arnold, Andreas

    1989-09-01

    Salt efflorescences strongly affect wall paintings and other monuments. The external factors governing the crystal habits and aggregate forms are studied phenomenologically in laboratory experiments. As salt contaminated materials dry, slats crystallize forming distinct sequences of crystal habits and aggregate forms on and underneath the surfaces. Four phases may be distinguished: (1) Large individual crystals with equilibrium forms grow immersed in a thick solution film; (2) granular crusts of small isometric crystals grow covered by a thin solution film; (3) fibrous crusts of columnar crystals grow from a coherent but thin solution film so that the crystals are in contact with solution only at their base; (4) whiskers grow from isolated spots of very thin solution films into the air. The main factor governing these morphologies is the humidity of the substrate. A porous material cracks while granular crystals (approaching their equilibrium forms) grow within the large pores. As the fissures widen, the habits pass into columnar crystals and then into whiskers. Because this succession corresponds to the crystallization sequence on the substrate surface it can be traced back to the same growth conditions.

  20. 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

  1. 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.

  2. 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.}

  3. Determination of the g-matrix orientation in flavin radicals by high-field/high-frequency electron-nuclear double resonance.

    PubMed

    Kay, Christopher W M; Schleicher, Erik; Hitomi, Kenichi; Todo, Takeshi; Bittl, Robert; Weber, Stefan

    2005-11-01

    A high-microwave-frequency/high-magnetic-field pulsed electron-nuclear double resonance (ENDOR) study performed at 94 GHz on the flavin semiquinone cofactor of Xenopus laevis (6-4) photolyase in its neutral radical state is presented. Although the principal values of the flavin radical's g-matrix are not fully resolved in the 94-GHz EPR spectrum in a nonoriented sample, the orientation of the principal axes of g is obtained by exploiting the orientation selection of the proton ENDOR signals from the methyl protons at C-8alpha and the deuteron ENDOR signals from D-5 in an enzyme sample in deuterated buffer. This procedure for assigning the orientation of g relative to the molecular frame makes use of commercially available ENDOR instrumentation without the necessity to perform single-crystal studies.

  4. 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.

  5. 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.

  6. Dissipation by a crystallization process

    NASA Astrophysics Data System (ADS)

    Dorosz, Sven; Voigtmann, Thomas; Schilling, Tanja

    2016-01-01

    We discuss crystallization as a non-equilibrium process. In a system of hard spheres under compression at a constant rate, we quantify the amount of heat that is dissipated during the crystallization process. We interpret the dissipation as arising from the resistance of the system against phase transformation. An intrinsic compression rate is identified that separates a quasi-static regime from one of rapidly driven crystallization. In the latter regime the system crystallizes more easily, because new relaxation channels are opened, at the cost of forming a higher fraction of non-equilibrium crystal structures. We rationalize the change in the crystallization mechanism by analogy with shear thinning, in terms of a kinetic competition between near-equilibrium relaxation and external driving.

  7. Invisible defects in complex crystals

    SciTech Connect

    Longhi, Stefano Della Valle, Giuseppe

    2013-07-15

    We show that invisible localized defects, i.e. defects that cannot be detected by an outside observer, can be realized in a crystal with an engineered imaginary potential at the defect site. The invisible defects are synthesized by means of supersymmetric (Darboux) transformations of an ordinary crystal using band-edge wavefunctions to construct the superpotential. The complex crystal has an entire real-valued energy spectrum and Bragg scattering is not influenced by the defects. An example of complex crystal synthesis is presented for the Mathieu potential. -- Highlights: •We show the existence of invisible localized defects in complex crystals. •They turn out to be fully invisible to Bloch waves belonging to any lattice band. •An example of invisible defect is presented for a PT-symmetric Mathieu crystal.

  8. 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.

  9. Gradient equivalent crystal theory.

    PubMed

    Zypman, F R; Ferrante, J

    2006-07-01

    This paper presents an extension of the formalism of equivalent crystal theory (ECT) by introducing an electron density gradient term so that the total model density becomes a more accurate representation of the real local density. Specifically, we allow for the electron density around a lattice site to have directionality, in addition to an average value, as assumed in ECT. We propose that an atom senses its neighbouring density as a weighted sum-the weights given by the its own electronic probability. As a benchmark, the method is used to compute vacancy migration energy curves of iron. These energies are in good agreement with previously published results. PMID:21690822

  10. 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.

  11. 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

    2016-03-31

    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.

  12. 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.

  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. 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

  15. 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.

  16. 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

  17. Crystal engineering using functionalized adamantane.

    PubMed

    Garcia, J C; Assali, L V C; Machado, W V M; Justo, J F

    2010-08-11

    We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blende and wurtzite crystals, and the resulting structures presented large bulk moduli and cohesive energies, wide and direct bandgaps, and low dielectric constants (low-κ materials). Those properties provide stability for such structures up to room temperature, superior to those of typical molecular crystals. This indicates a possible road map for crystal engineering using functionalized diamondoids, with potential applications ranging from space filling between conducting wires in nanodevices to nano-electromechanical systems.

  18. Photonic crystal fibers in biophotonics

    NASA Astrophysics Data System (ADS)

    Tuchin, Valery V.; Skibina, Julia S.; Malinin, Anton V.

    2011-12-01

    We observed recent experimental results in area of photonic crystal fibers appliance. Possibility of creation of fiberbased broadband light sources for high resolution optical coherence tomography is discussed. Using of femtosecond pulse laser allows for generation of optical radiation with large spectral width in highly nonlinear solid core photonic crystal fibers. Concept of exploitation of hollow core photonic crystal fibers in optical sensing is demonstrated. The use of photonic crystal fibers as "smart cuvette" gives rise to efficiency of modern optical biomedical analysis methods.

  19. Crystal sensor for microscopy applications

    SciTech Connect

    Peng Zhiqiang; West, Paul

    2005-01-03

    We report a force sensor based on a quartz crystal that is used for measuring nanoscale topographic images. The crystal is a length-extensional mode oscillator with a resonant frequency of about 650 kHz. Compared to 33 kHz tuning forks, such crystal sensors have a much higher resonance frequency, which allows for high force sensitivity and a fast response time. The crystal sensor is operated in the shear-force mode, with the probes vibrating parallel to the sample surface. The tip-sample interaction during operation is estimated to be less than 300 pN.

  20. 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.

  1. Aluminum-air battery crystallizer

    SciTech Connect

    Maimoni, A.

    1987-01-01

    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 aluminum 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.

  2. 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.

  3. Crystal engineering using functionalized adamantane

    NASA Astrophysics Data System (ADS)

    Garcia, J. C.; Assali, L. V. C.; Machado, W. V. M.; Justo, J. F.

    2010-08-01

    We performed a first-principles investigation on the structural, electronic and optical properties of crystals made of chemically functionalized adamantane molecules. Several molecular building blocks, formed by boron and nitrogen substitutional functionalizations, were considered to build zinc blende and wurtzite crystals, and the resulting structures presented large bulk moduli and cohesive energies, wide and direct bandgaps, and low dielectric constants (low-κ materials). Those properties provide stability for such structures up to room temperature, superior to those of typical molecular crystals. This indicates a possible road map for crystal engineering using functionalized diamondoids, with potential applications ranging from space filling between conducting wires in nanodevices to nano-electromechanical systems.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. Crystal Compton Camera

    SciTech Connect

    Ziock, Klaus-Peter; Braverman, Joshua B.; Harrison, Mark J.; Hornback, Donald Eric; Fabris, Lorenzo; Newby, Jason

    2013-09-26

    Stand-off detection is one of the most important radiation detection capabilities for arms control and the control of illicit nuclear materials. For long range passive detection one requires a large detector and a means of “seeing through” the naturally occurring and varying background radiation, i.e. imaging. Arguably, Compton imaging is the best approach over much of the emission band suitable for long range detection. It provides not only imaging, but more information about the direction of incidence of each detected gamma-ray than the alternate approach of coded-aperture imaging. The directional information allows one to reduce the background and hence improve the sensitivity of a measurement. However, to make an efficient Compton imager requires localizing and measuring the simultaneous energy depositions when gamma-rays Compton scatter and are subsequently captured within a single, large detector volume. This concept has been demonstrated in semi-conductor detectors (HPGe, CZT, Si) but at ~ $1k/cm3 these materials are too expensive to build the large systems needed for standoff detection. Scintillator detectors, such as NaI(Tl), are two orders of magnitude less expensive and possess the energy resolution required to make such an imager. However, they do not currently have the ability to localize closely spaced, simultaneous energy depositions in a single large crystal. In this project we are applying a new technique that should, for the first time ever, allow cubic-millimeter event localization in a bulk scintillator crystal.

  10. Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer.

    PubMed

    Lorenzo, Daniel A; Forrest, Sebastian J K; Sparkes, Hazel A

    2016-02-01

    A number of hydrogen-bonded co-crystals, consisting of a cinnamic acid derivative and a pyridyl co-crystallizer, have been synthesized and their properties investigated by X-ray diffraction. Samples were prepared by recrystallization or solvent drop grinding of trans-cinnamic acid (1), 4-methylcinnamic acid (2), 4-methoxy cinnamic acid (3) or 3,4-methoxy cinnamic acid (4), with 4,4-dipyridyl (A), iso-nicotinamide (B) or nicotinamide (C). The X-ray single-crystal structures of seven novel co-crystals, obtained through recrystallization, are examined and the hydrogen-bonding interactions discussed. Consistent hydrogen-bonding motifs were observed for samples prepared when using 4,4-dipyridyl (A) or iso-nicotinamide (B) as the co-crystallizing agent. Powder X-ray diffraction analysis of the samples prepared by solvent drop grinding suggests the formation of ten co-crystals.

  11. [Comparative study of crystallization processes in case of glycine crystallization].

    PubMed

    Aigner, Zoltán; Szegedi, Adám; Szabadi, Viktor; Ambrus, Rita; Sovány, Tamás; Szabóné Révész, Piroska

    2012-01-01

    In our work, the effect of crystallization methods and their parameters on the particle size, particle size-distribution and roundness were investigated in case of glycine crystallization. Three types of crystallization methods were applied according to the solubility results of the substance. In case of cooling crystallization, the effect of cooling and stirring rates were investigated. The feeding and stirring rates were changed in the feeding crystallization. In the antisolvent technique, the effect of cycle and amplitude of the sonification were studied on the particle size. A 3(2) full factorial design was applied for investigation of the effect of crystallization parameters. The results were analyzed by statistical software. The particle size distribution and roundness were measured by laser diffraction and light microscopic image analysis systems. The polymorph type of products was investigated by XRPD. The crystallized product morphology was examined using scanning electron microscopy. We found that the crystallization methods and certain parameters have significant effect on the particle size, particle size distribution. In spite of the modified particle size, morphology, roundness, the polymorph type of the product was the same with the original material.

  12. Close-spaced crystal growth and characterization of BP crystals

    NASA Astrophysics Data System (ADS)

    Schmitt, J. O.; Edgar, L. J. H.; Liu, L.; Nagarajan, R.; Szyszko, T.; Podsiadlo, S.; Wojciech, G.

    2005-02-01

    The present study was undertaken to determine if boron phosphide (BP) crystals could be produced by a simple technique, close-spaced vapor transport (CVST). This technique has proven very successful in achieving very high growth rates for a wide variety of materials including ZnSe, AlN, and SiC. Both silicon (100) and sapphire substrates were used for the CSVT growth. The resulting films were characterized by Raman spectroscopy. Sublimation of BP powder from 1050 to 1450 °C in an argon atmosphere produced a range of deep orange colour, single and polycrystalline BP crystals. The crystal size increased and the crystal density decreased with increasing temperature. Well-faceted crystals were produced at an intermediate temperature of 1200 °C. At temperatures higher then 1450 °C no BP crystals were grown. Only a fibrous mass of fine whiskers, loosely attached to the substrate were produced. The peak position of the Raman LO mode of the BP crystals was shifted to higher wavenumbers than the BP powder source, suggesting that the crystals were compressively strained.

  13. Glasses crystallize rapidly at free surfaces by growing crystals upward.

    PubMed

    Sun, Ye; Zhu, Lei; Kearns, Kenneth L; Ediger, Mark D; Yu, Lian

    2011-04-12

    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.

  14. 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...

  15. 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)

  16. 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.

  17. Crystal engineering: From design of crystal structures to fabrication of composite crystals

    NASA Astrophysics Data System (ADS)

    Luo, Tzy-Jiun Mark

    This thesis reports how to design and control co-crystal structures from a kinetic point of view, and demonstrates the control of crystal morphology through understanding the kinetics and crystal structures. In chapter one, the in-situ atomic force microscope (AFM) was utilized to investigate how side chain on a glycine 2,5-diketopiperazine (GLYDKP) backbone can affect the assembly of GLYDKP, and showed that methyl groups cause larger energy barrier for crystallization. Because the introduction of functional group on the side chain could inevitably slow down the assembly process, a different approach should be considered. Chapter two shows that formic acid at low concentration can accelerate the assembly process without incorporating into the crystal structure. Because formic acid only crystallizes with GLYDKP in concentrated solution, these results prove that co-crystallization is a better method for incorporating functionalized molecules into a solid than direct modification of molecule itself. Chapter three focuses on the rational design of GLYDKP cocrystals by utilizing the observation found in chapter two. Structure of GLYDKP and formic acid crystal was analyzed to search possible guest molecules for cocrystal studies. This method successfully identified eleven molecules that crystallize with GLYDKP, and proved that crystal structure can be controlled through weak interactions such as C-H•••O=C and C-H•••Cl interactions. Chapter four and chapter five explore the possibility of using self-assembled process to control morphology of crystals and surface epitaxy. Metal(II) bis(imidazolium 2,b-pyridinedicarboxylate) complexes were chosen and two morphologies associated with different metal ions were found: rhombohedral (Type I) and rectangular (Type II) crystals. In this study, an additive was found to change the morphology of crystal from type I to type II, and then methods of producing various shapes of composite crystals were also established. These

  18. 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.

  19. 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.

  20. Cognitive Complexity and Interest Crystallization.

    ERIC Educational Resources Information Center

    Winer, Dov; Gati, Itamar

    1986-01-01

    Investigated the relationship between cognitive differentiation and vocational interest crystallization. Results indicated the relationships between measures of cognitive differentiation were generally low, and that interest crystallization was related to between-construct differentiation, but not to the other measures of cognitive complexity.…

  1. 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.

  2. 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.

  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. Tunable Meta-Liquid Crystals.

    PubMed

    Liu, Mingkai; Fan, Kebin; Padilla, Willie; Powell, David A; Zhang, Xin; Shadrivov, Ilya V

    2016-02-24

    Meta-liquid crystals, a novel form of tunable 3D metamaterials, are proposed and experimentally demonstrated in the terahertz frequency regime. A morphology change under a bias electric field and a strong modulation of the transmission are observed. In comparison to conventional liquid crystals, there is considerable freedom to prescribe the electromagnetic properties through the judicious design of the meta-atom geometry.

  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. 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)

  7. 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.

  8. 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

  9. Inhibitory Effects of (2'R)-2',3'-dihydro-2'-(1-hydroxy-1-methylethyl)-2,6'-bibenzofuran-6,4'-diol on Mushroom Tyrosinase and Melanogenesis in B16-F10 Melanoma Cells.

    PubMed

    Zhu, Jing-Jie; Yan, Gui-Rui; Xu, Zhi-Jian; Hu, Xiao; Wang, Gai-Hong; Wang, Ting; Zhu, Wei-Liang; Hou, Ai-Jun; Wang, He-Yao

    2015-07-01

    (2'R)-2',3'-Dihydro-2'-(1-hydroxy-1-methylethyl)-2,6'-bibenzofuran-6,4'-diol (DHMB) is a natural compound extracted from Morus notabilis. It was found that DHMB acts as a competitive inhibitor against mushroom tyrosinase with a Ki value of 14.77 μM. Docking results further indicated that it could form strong interactions with one copper ion with a distance of 2.7 Å, suggesting the mechanism of inhibition might be due to chelating copper ions in the active site. Furthermore, melanin production in B16-F10 murine melanoma cells was significantly inhibited by DHMB in a concentration-dependent manner without cytotoxicity. The results of western blotting also showed that DHMB decreased 3-isobuty-1-methxlzanthine-induced mature tyrosinase expression. Taken together, these findings indicated that DHMB may be a new promising pigmentation-altering agent for agriculture, cosmetic, and therapeutic applications.

  10. 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.

  11. 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.

  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. 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.

  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. Crystal structure of cyproconazole

    PubMed Central

    Kang, Gihaeng; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound [systematic name: 2-(4-chloro­phen­yl)-3-cyclo­propyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol], C15H18ClN3O, is a conazole fungicide. The asymmetric unit comprises two enanti­omeric pairs (mol­ecules A and B) in which the dihedral angles between the chloro­phenyl and triazole rings are 46.54 (9) (mol­ecule A) and 67.03 (8)° (mol­ecule B). In the crystal, C—H⋯O, O—H⋯N and C—H⋯Cl hydrogen bonds and weak C—H⋯π inter­actions [3.473 (2) Å] link adjacent mol­ecules, forming columns along the a axis. PMID:26870467

  17. 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.

  18. Crystal structure of propaquizafop

    PubMed Central

    Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho

    2014-01-01

    The title compound, C22H22ClN3O5 {systematic name: 2-(propan-2-yl­idene­amino­oxy)ethyl (R)-2-[4-(6-chloro­quin­oxalin-2-yl­oxy)phen­oxy]propionate}, is a herbicide. The asymmetric unit comprises two independent mol­ecules in which the dihedral angles between the phenyl ring and the quinoxaline ring plane are 75.93 (7) and 82.77 (8)°. The crystal structure features C—H⋯O, C—H⋯N, and C—H⋯Cl hydrogen bonds, as well as weak π–π inter­actions [ring-centroid separation = 3.782 (2) and 3.5952 (19) Å], resulting in a three-dimensional architecture. PMID:25553037

  19. Crystal structure of flumioxazin

    PubMed Central

    Park, Hyunjin; Kim, Jineun; Kwon, Eunjin; Kim, Tae Ho

    2015-01-01

    The title compound {systematic name: 2-[7-fluoro-3,4-di­hydro-3-oxo-4-(prop-2-yn-1-yl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetra­hydro-1H-iso­indole-1,3(2H)-dione}, C19H15FN2O4, is a dicarboximide herbicide. The dihedral angle between the male­imide and benzene ring planes is 66.13 (5)°. In the crystal, C—H⋯O and C—H⋯F hydrogen bonds and weak C—H⋯π inter­actions [3.5601 (19) Å] link adjacent mol­ecules, forming two-dimensional networks extending parallel to the (110) plane. PMID:26594468

  20. 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.

  1. Crystallized Schroedinger cat states

    SciTech Connect

    Castanos, O.; Lopez-Pena, R.; Man`ko, V.I.

    1995-11-01

    Crystallized Schroedinger cat states (male and female) are introduced on the base of extension of group construction for the even and odd coherent states of the electromagnetic field oscillator. The Wigner and Q functions are calculated and some are plotted for C{sub 2}, C{sub 3}, C{sub 4}, C{sub 5}, C{sub 3v} Schroedinger cat states. Quadrature means and dispersions for these states are calculated and squeezing and correlation phenomena are studied. Photon distribution functions for these states are given explicitly and are plotted for several examples. A strong oscillatory behavior of the photon distribution function for some field amplitudes is found in the new type of states.

  2. 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.

  3. 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

  4. 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

    NASA Astrophysics Data System (ADS)

    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 183.3-200.0 kJ mol- 1 for α spin and 319.4-324.9 kJ mol- 1 for β spin, and interaction energies of Cu(II) with coordination atoms Cl atom are 248.0-252.4 kJ mol- 1 for α spin and 332.6-333.6 kJ mol- 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.

  5. 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.

  6. 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.

  7. 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

  8. Crystals of cadmium, zinc metallothionein.

    PubMed Central

    Melis, K A; Carter, D C; Stout, C D; Winge, D R

    1984-01-01

    Single crystals have been grown of Cd,Zn metallothionein isoform II from rat liver. The space group is P41212(P43212) with unit cell dimensions a = b = 31.0 A and c = 120.0 A, and one molecule in the crystallographic asymmetric unit. The crystals are square bipyramids elongated on the tetragonal c-axis and are grown by repetitive seeding. The crystals are suitable for high resolution structure analysis. Assays of dissolved crystals show that the crystals have the same Cd and Zn content and amino acid composition as the native, as-isolated protein. Images FIGURE 1. FIGURE 2. (a) FIGURE 2. (b) FIGURE 4. FIGURE 5. PMID:6734549

  9. 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.

  10. Bacterial ice crystal controlling proteins.

    PubMed

    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

  11. 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.

  12. 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.

  13. 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.

  14. Nanoparticles in liquid crystals, and liquid crystals in nanoparticles

    NASA Astrophysics Data System (ADS)

    de Pablo, Juan

    2015-03-01

    Liquid crystals are remarkably sensitive to interfacial interactions. Small perturbations at a liquid crystal interface, for example, can be propagated over relatively long length scales, thereby providing the basis for a wide range of applications that rely on amplification of molecular events into macroscopic observables. Our recent research efforts have focused on the reverse phenomenon; that is, we have sought to manipulate the interfacial assembly of nanoparticles or the organization of surface active molecules by controlling the structure of a liquid crystal. This presentation will consist of a review of the basic principles that are responsible for liquid crystal-mediated interactions, followed by demonstrations of those principles in the context of two types of systems. In the first, a liquid crystal is used to direct the assembly of nanoparticles; through a combination of molecular and continuum models, it is found that minute changes in interfacial energy and particle size lead to liquid-crystal induced attractions that can span multiple orders of magnitude. Theoretical predictions are confirmed by experimental observations, which also suggest that LC-mediated assembly provides an effective means for fabrication of plasmonic devices. In the second type of system, the structure of a liquid crystal is controlled by confinement in submicron droplets. The morphology of the liquid crystal in a drop depends on a delicate balance between bulk and interfacial contributions to the free energy; that balance can be easily perturbed by adsorption of analytes or nanoparticles at the interface, thereby providing the basis for development of hierarchical assembly of responsive, anisotropic materials. Theoretical predictions also indicate that the three-dimensional order of a liquid crystal can be projected onto a two-dimensional interface, and give rise to novel nanostructures that are not found in simple isotropic fluids.

  15. A phase-field-crystal model for liquid crystals.

    PubMed

    Löwen, Hartmut

    2010-09-15

    On the basis of static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits stable isotropic, nematic, smectic A, columnar, plastic-crystalline and orientationally ordered crystalline phases. As far as the dynamics is concerned, the translational density is a conserved order parameter while the orientational ordering is non-conserved. The derived phase-field-crystal model can serve for use in efficient numerical investigations of various nonequilibrium situations in liquid crystals.

  16. 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

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. Dichroic Liquid Crystal Displays

    NASA Astrophysics Data System (ADS)

    Bahadur, Birendra

    The following sections are included: * INTRODUCTION * DICHROIC DYES * Chemical Structure * Chemical and Photochemical Stability * THEORETICAL MODELLING * DEFECTS CAUSED BY PROLONGED LIGHT IRRADIATION * CHEMICAL STRUCTURE AND PHOTOSTABILITY * OTHER PARAMETERS AFFECTING PHOTOSTABILITY * CELL PREPARATION * DICHROIC PARAMETERS AND THEIR MEASUREMENTS * Order Parameter and Dichroic Ratio Of Dyes * Absorbance, Order Parameter and Dichroic Ratio Measurements * IMPACT OF DYE STRUCTURE AND LIQUID CRYSTAL HOST ON PHYSICAL PROPERTIES OF A DICHROIC MIXTURE * Order Parameter and Dichroic Ratio * EFFECT OF LENGTH OF DICHROIC DYES ON THE ORDER PARAMETER * EFFECT OF THE BREADTH OF DYE ON THE ORDER PARAMETER * EFFECT OF THE HOST ON THE ORDER PARAMETER * TEMPERATURE VARIATION OF THE ORDER PARAMETER OF DYES IN A LIQUID CRYSTAL HOST * IMPACT OF DYE CONCENTRATION ON THE ORDER PARAMETER * Temperature Range * Viscosity * Dielectric Constant and Anisotropy * Refractive Indices and Birefringence * solubility43,153-156 * Absorption Wavelength and Auxochromic Groups * Molecular Engineering of Dichroic Dyes * OPTICAL, ELECTRO-OPTICAL AND LIFE PARAMETERS * Colour And CIE Colour space120,160-166 * CIE 1931 COLOUR SPACE * CIE 1976 CHROMATICITY DIAGRAM * CIE UNIFORM COLOUR SPACES & COLOUR DIFFERENCE FORMULAE120,160-166 * Electro-Optical Parameters120 * LUMINANCE * CONTRAST AND CONTRAST RATIO * SWITCHING SPEED * Life Parameters and Failure Modes * DICHROIC MIXTURE FORMULATION * Monochrome Mixture * Black Mixture * ACHROMATIC BLACK MIXTURE FOR HEILMEIER DISPLAYS * Effect of Illuminant on Display Colour * Colour of the Field-On State * Effect of Dye Linewidth * Optimum Centroid Wavelengths * Effect of Dye Concentration * Mixture Formulation Using More Than Three Dyes * ACHROMATIC MIXTURE FOR WHITE-TAYLOR TYPE DISPLAYS * HEILMEIER DISPLAYS * Theoretical Modelling * Threshold Characteristic * Effects of Dye Concentration on Electro-optical Parameters * Effect of Cholesteric Doping * Effect of Alignment

  2. 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

  3. Salt crystal purification by deliquescence/crystallization cycling

    NASA Astrophysics Data System (ADS)

    Desarnaud, J.; Shahidzadeh-Bonn, N.

    2011-08-01

    In this paper we show how by repetitive humidity cycling high-quality single crystals of salt (NaCl) can be obtained. The drying of droplets of saturated salt solution, leads to many individual microcrystallites that grow close to the contact line due to the "coffee stain effect". Subsequent humidity cycling leads to the growth of a smaller number of crystals by expulsing impurities. This allows us to obtain only one single crystal instead of several dozens of crystallites in as little as three cycles. The reduction in the number of cycles needed to obtain a single crystal can even be improved by the combination of two effects; firstly the deliquescence/recrystallisation cycling and secondly by controlling the wetting properties of the substrate with grafted monolayer treatments.

  4. Automated protein crystal growth facility

    NASA Technical Reports Server (NTRS)

    Donald, Stacey

    1994-01-01

    A customer for the protein crystal growth facility fills the specially designed chamber with the correct solutions, fills the syringes with their quenching solutions, and submits the data needed for the proper growth of their crystal. To make sure that the chambers and syringes are filled correctly, a NASA representative may assist the customer. The data needed is the approximate growth time, the growth temperature, and the desired crystal size, but this data can be changed anytime from the ground, if needed. The chambers are gathered and placed into numbered slots in special drawers. Then, data is entered into a computer for each of the chambers. Technicians map out when each chamber's growth should be activated so that all of the chambers have enough time to grow. All of this data is up-linked to the space station when the previous growth session is over. Anti-vibrational containers need to be constructed for the high forces encountered during the lift off and the landing of the space shuttle, and though our team has not designed these containers, we do not feel that there is any reason why a suitable one could not be made. When the shuttle reaches the space station, an astronaut removes a drawer of quenched chambers from the growth facility and inserts a drawer of new chambers. All twelve of the drawers can be replaced in this fashion. The optical disks can also be removed this way. The old drawers are stored for the trip back to earth. Once inside the growth facility, a chamber is removed by the robot and placed in one of 144 active sites at a time previously picked by a technician. Growth begins when the chamber is inserted into an active site. Then, the sensing system starts to determine the size of the protein crystal. All during the crystal's growth, the customer can view the crystal and read all of the crystal's data, such as growth rate and crystal size. When the sensing system determines that the crystal has reached the predetermined size, the robot is

  5. Random photonic crystal optical memory

    NASA Astrophysics Data System (ADS)

    Wirth Lima, A., Jr.; Sombra, A. S. B.

    2012-10-01

    Currently, optical cross-connects working on wavelength division multiplexing systems are based on optical fiber delay lines buffering. We designed and analyzed a novel photonic crystal optical memory, which replaces the fiber delay lines of the current optical cross-connect buffer. Optical buffering systems based on random photonic crystal optical memory have similar behavior to the electronic buffering systems based on electronic RAM memory. In this paper, we show that OXCs working with optical buffering based on random photonic crystal optical memories provides better performance than the current optical cross-connects.

  6. Active crystals and their stability.

    PubMed

    Menzel, Andreas M; Ohta, Takao; Löwen, Hartmut

    2014-02-01

    A recently introduced active phase field crystal model describes the formation of ordered resting and traveling crystals in systems of self-propelled particles. Increasing the active drive, a resting crystal can be forced to perform collectively ordered migration as a single traveling object. We demonstrate here that these ordered migrating structures are linearly stable. In other words, during migration, the single-crystalline texture together with the globally ordered collective motion is preserved even on large length scales. Furthermore, we consider self-propelled particles on a substrate that are surrounded by a thin fluid film. We find that in this case the resulting hydrodynamic interactions can destabilize the order.

  7. The Physics of Protein Crystallization

    NASA Technical Reports Server (NTRS)

    Vekilov, P. G.; Chernov, A. A.

    2002-01-01

    This paper covers review of recent research on protein crystal properties, nucleation, growth and perfection. Mechanical properties of crystals built of molecules strongly exceeding the range of molecular forces are very different from conventional ones. Similar scaling is responsible for specificity of phase equilibrium for macromolecular systems of which thermodynamics is discussed. Nucleation and growth peculiarity and similarity in protein solutions as compared to inorganic solutions is addressed. Hypotheses on why and when microgravity (lack of convection) conditions may result in more perfect crystals are discussed.

  8. Configurable silicon photonic crystal waveguides

    NASA Astrophysics Data System (ADS)

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-01

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  9. Aperiodic crystals and superspace concepts.

    PubMed

    Janssen, T; Janner, A

    2014-08-01

    For several decades the lattice periodicity of crystals, as shown by Laue, was considered to be their essential property. In the early sixties of the last century compounds were found which for many reasons should be called crystals, but were not lattice periodic. This opened the field of aperiodic crystals. An overview of this development is given. Many materials of this kind were found, sometimes with very interesting properties. In the beginning the development was slow, but the number of structures of this type increased enormously. In the meantime hundreds of scientists have contributed to this field using a multi-disciplinary approach. PMID:25080242

  10. Sonic crystal acoustic switch device.

    PubMed

    Alagoz, Serkan; Alagoz, Baris Baykant

    2013-06-01

    This study reports a wave-controlled sonic crystal switch device that exhibits a destructive interference-based wave to wave reverse switching effect. By applying control waves, this acoustic device, composed of a two-dimensional square lattice sonic crystal block, reduces acoustic wave transmission from input to output. The finite difference time domain simulation and experimental results confirm the wave-to-wave reverse switching effect at the peak frequencies of the second band. The proposed sonic crystal switch prototype provides a contrast rate of 86% at 11.3 kHz frequency. This wave-to-wave switching effect is useful for controlling wave propagation for smart structure applications.

  11. Crystal structure determination of Efavirenz

    NASA Astrophysics Data System (ADS)

    Popeneciu, Horea; Tripon, Carmen; Borodi, Gheorghe; Pop, Mihaela Maria; Dumitru, Ristoiu

    2015-12-01

    Needle-shaped single crystals of the title compound, C14H9ClF3NO2, were obtained from a co-crystallization experiment of Efavirenz with maleic acid in a (1:1) ratio, using methanol as solvent. Crystal structure determination at room temperature revealed a significant anisotropy of the lattice expansion compared to the previously reported low-temperature structure. In both low- and room temperature structures the cyclopropylethynyl fragment in one of the asymmetric unit molecules is disordered. While at low-temperature only one C atom exhibits positional disorder, at room temperature the disorder is present for two C atoms of the cyclopropane ring.

  12. Multicolor photonic crystal laser array

    SciTech Connect

    Wright, Jeremy B; Brener, Igal; Subramania, Ganapathi S; Wang, George T; Li, Qiming

    2015-04-28

    A multicolor photonic crystal laser array comprises pixels of monolithically grown gain sections each with a different emission center wavelength. As an example, two-dimensional surface-emitting photonic crystal lasers comprising broad gain-bandwidth III-nitride multiple quantum well axial heterostructures were fabricated using a novel top-down nanowire fabrication method. Single-mode lasing was obtained in the blue-violet spectral region with 60 nm of tuning (or 16% of the nominal center wavelength) that was determined purely by the photonic crystal geometry. This approach can be extended to cover the entire visible spectrum.

  13. Configurable silicon photonic crystal waveguides

    SciTech Connect

    Prorok, Stefan; Petrov, Alexander; Eich, Manfred; Luo, Jingdong; Jen, Alex K.-Y.

    2013-12-23

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities.

  14. Crystal growth and annealing method and apparatus

    DOEpatents

    Gianoulakis, Steven E.; Sparrow, Robert

    2001-01-01

    A method and apparatus for producing crystals that minimizes birefringence even at large crystal sizes, and is suitable for production of CaF.sub.2 crystals. The method of the present invention comprises annealing a crystal by maintaining a minimal temperature gradient in the crystal while slowly reducing the bulk temperature of the crystal. An apparatus according to the present invention includes a thermal control system added to a crystal growth and annealing apparatus, wherein the thermal control system allows a temperature gradient during crystal growth but minimizes the temperature gradient during crystal annealing. An embodiment of the present invention comprises a secondary heater incorporated into a conventional crystal growth and annealing apparatus. The secondary heater supplies heat to minimize the temperature gradients in the crystal during the annealing process. The secondary heater can mount near the bottom of the crucible to effectively maintain appropriate temperature gradients.

  15. The Biological Macromolecule Crystallization Database and NASA Protein Crystal Growth Archive.

    PubMed

    Gilliland, G L; Tung, M; Ladner, J

    1996-01-01

    The NIST/NASA/CARB Biological Macromolecule Crystallization Database (BMCD), NIST Standard Reference Database 21, contains crystal data and crystallization conditions for biological macromolecules. The database entries include data abstracted from published crystallographic reports. Each entry consists of information describing the biological macromolecule crystallized and crystal data and the crystallization conditions for each crystal form. The BMCD serves as the NASA Protein Crystal Growth Archive in that it contains protocols and results of crystallization experiments undertaken in microgravity (space). These database entries report the results, whether successful or not, from NASA-sponsored protein crystal growth experiments in microgravity and from microgravity crystallization studies sponsored by other international organizations. The BMCD was designed as a tool to assist x-ray crystallographers in the development of protocols to crystallize biological macromolecules, those that have previously been crystallized, and those that have not been crystallized.

  16. 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

  17. Biological liquid crystal elastomers.

    PubMed

    Knight, David P; Vollrath, Fritz

    2002-02-28

    Liquid crystal elastomers (LCEs) have recently been described as a new class of matter. Here we review the evidence for the novel conclusion that the fibrillar collagens and the dragline silks of orb web spiders belong to this remarkable class of materials. Unlike conventional rubbers, LCEs are ordered, rather than disordered, at rest. The identification of these biopolymers as LCEs may have a predictive value. It may explain how collagens and spider dragline silks are assembled. It may provide a detailed explanation for their mechanical properties, accounting for the variation between different members of the collagen family and between the draglines in different spider species. It may provide a basis for the design of biomimetic collagen and dragline silk analogues by genetic engineering, peptide- or classical polymer synthesis. Biological LCEs may exhibit a range of exotic properties already identified in other members of this remarkable class of materials. In this paper, the possibility that other transversely banded fibrillar proteins are also LCEs is discussed.

  18. CHARACTERIZING FAINT GALAXIES IN THE REIONIZATION EPOCH: LBT CONFIRMS TWO L < 0.2 L* SOURCES AT z = 6.4 BEHIND THE CLASH/FRONTIER FIELDS CLUSTER MACS0717.5+3745

    SciTech Connect

    Vanzella, E.; Cusano, F.; Fontana, A.; Grazian, A.; Castellano, M.; Pentericci, L.; Giallongo, E.; Zitrin, A.; Coe, D.; Bradley, L.; Postman, M.; Giavalisco, M.; Rosati, P.; Nonino, M.; Cristiani, S.; Smit, R.; Bouwens, R.; Balestra, I.; Zheng, W.; Infante, L.; and others

    2014-03-01

    We report the LBT/MODS1 spectroscopic confirmation of two images of faint Lyα emitters at z = 6.4 behind the Frontier Fields galaxy cluster MACSJ0717.5+3745. A wide range of lens models suggests that the two images are highly magnified, with a strong lower limit of μ > 5. These are the faintest z > 6 candidates spectroscopically confirmed to date. These may also be multiple images of the same z = 6.4 source as supported by their similar intrinsic properties, but the lens models are inconclusive regarding this interpretation. To be cautious, we derive the physical properties of each image individually. Thanks to the high magnification, the observed near-infrared (restframe ultraviolet) part of the spectral energy distributions and Lyα lines are well detected with S/N(m {sub 1500}) ≳ 10 and S/N(Lyα) ≅ 10-15. Adopting μ > 5, the absolute magnitudes, M {sub 1500}, and Lyα fluxes are fainter than –18.7 and 2.8 × 10{sup –18} erg s{sup –1} cm{sup –2}, respectively. We find a very steep ultraviolet spectral slope β = –3.0 ± 0.5 (F {sub λ} = λ{sup β}), implying that these are very young, dust-free, and low metallicity objects, made of standard stellar populations or even extremely metal poor stars (age ≲ 30 Myr, E(B – V) = 0 and metallicity 0.0-0.2 Z/Z {sub ☉}). The objects are compact (<1 kpc{sup 2}) and with a stellar mass M {sub *} < 10{sup 8} M {sub ☉}. The very steep β, the presence of the Lyα line, and the intrinsic FWHM (<300 km s{sup –1}) of these newborn objects do not exclude a possible leakage of ionizing radiation. We discuss the possibility that such faint galaxies may resemble those responsible for cosmic reionization.

  19. Dynamic characteristics of dual-frequency nematic liquid crystal with quasi-homeotropic twist structure

    NASA Astrophysics Data System (ADS)

    Konshina, E. A.; Fedorov, M. A.; Amosova, L. P.

    2010-07-01

    Dynamic characteristics of a liquid crystal (LC) cell with a quasi-homeotropic twist structure formed in a dual-frequency nematic liquid crystal (DFNLC) layer with the director pretilt angle increased to 60° have been experimentally studied. The cell was switched from the off to on state using a 30-kHz electric field, while the reverse (off/on) switching was effected by a 1-kHz field. An increase in the director pretilt angle allowed the switch-on time of a 6.4-μm-thick DFNLC cell to be reduced to 1 ms and the relaxation (switch-off) time, to 0.5 ms.

  20. Crystal structure of a new hybrid compound based on an iodido-plumbate(II) anionic motif.

    PubMed

    Mokhnache, Oualid; Boughzala, Habib

    2016-01-01

    Crystals of the one-dimensional organic-inorganic lead iodide-based compound catena-poly[bis-(piperazine-1,4-diium) [[tetra-iodido-plumbate(II)]-μ-iodido] iodide monohydrate], (C4N2H12)2[PbI5]I·H2O, were obtained by slow evaporation at room temperature of a solution containing lead iodide and piperazine in a 1:2 molar ratio. Inorganic lead iodide chains, organic (C4N2H12)(2+) cations, water mol-ecules of crystallization and isolated I(-) anions are connected through N-H⋯·I, N-H⋯OW and OW-H⋯I hydrogen-bond inter-actions. Zigzag chains of corner-sharing [PbI6](4-) octa-hedra with composition [PbI4/1I2/2](3-) running parallel to the a axis are present in the structure packing.

  1. Crystals and Crystals: On the Mythology of Magmatic Processes

    NASA Astrophysics Data System (ADS)

    Marsh, B.

    2008-12-01

    The intimate records of the deep functioning of magmatic systems reside in the temporal and spatial records of magma flux, composition and crystal load. The records for a single system are piecemeal: Plutons show good spatial records, but poor temporal records. Volcanoes give through lava sequences good temporal records, but no spatial context. Because of this dichotomy, two, almost mutually exclusive, branches of magmatology have developed, whereas in Nature there is only a single process. The processes envisioned in these schools necessary to deliver the end rock record are distinct. It is our tools and historic perspectives that have steered the science, not the subject itself. Due to this approach an almost mythical conception of how magmas function has become commonplace. The circumvention of this dilemma rests in carefully evaluating the records on hand in the light of a broad understanding of the fundamental mechanics of how magma lives and dies. It is these basic principles that promise to unify plutonic and volcanic evidence to reveal the full nature of magmatism on all scales. The two most basic features of all magmatic processes are the universal presence of solidification fronts and the presence or absence of a crystal cargo. Almost without exception (e.g., shallow pressure quenching) all first generation crystals grow in marginal solidification fronts (SFs) bordering all magmas. The package of isotherms bounded by the liquidus and solidus define SFs, which propagate in response to the rate of cooling. All physical and chemical processes occurring within SFs compete with the advancement or retreat of solidification. SFs are governed by crystallinity regimes: Suspension Zone (<25 % xtals), Capture Front (~25 %), Mush Zone (25-55%), Rigidity Front (~55%; Critical Crystallinity), and Rigid Crust Zone (>55% xtals). Magmas are laced with nuclei that multiply and grow when overtaken. Crystal growth rates are bounded; tiny crystals reside at the front of SFs

  2. Vibration resistant quartz crystal resonators

    NASA Astrophysics Data System (ADS)

    Goldfrank, B.; Warner, A.

    1982-11-01

    The principal objectives of this investigation were to provide doubly rotated quartz crystal resonators that exhibit low "g' sensitivity on the order of 1 superscript 10 per "g', and fast warm-up on the order of 1 superscript 9 in three minutes. Effects of changes in the mounting orientation have been investigated with respect to the magnitude of the acceleration sensitivity vector, for 0 angles of 21.95, 23.75 and 25.00, using 5 MHz/5th overtone plano-convex and bi-convex quartz crystal blanks. The mounting technique was three-point thermo-compression bonding; the mounts were 90 degrees apart. A new thermo-compression bonding ribbon was evaluated and instituted. 5 MHz and 10 MHz, third overtone crystals and 20 MHz fifth overtone crystals were measured for the magnitude of the acceleration sensitivity vector. Improved methods of X-ray orientation were also investigated.

  3. Surface energies of elemental crystals.

    PubMed

    Tran, Richard; Xu, Zihan; Radhakrishnan, Balachandran; Winston, Donald; Sun, Wenhao; Persson, Kristin A; Ong, Shyue Ping

    2016-01-01

    The surface energy is a fundamental property of the different facets of a crystal that is crucial to the understanding of various phenomena like surface segregation, roughening, catalytic activity, and the crystal's equilibrium shape. Such surface phenomena are especially important at the nanoscale, where the large surface area to volume ratios lead to properties that are significantly different from the bulk. In this work, we present the largest database of calculated surface energies for elemental crystals to date. This database contains the surface energies of more than 100 polymorphs of about 70 elements, up to a maximum Miller index of two and three for non-cubic and cubic crystals, respectively. Well-known reconstruction schemes are also accounted for. The database is systematically improvable and has been rigorously validated against previous experimental and computational data where available. We will describe the methodology used in constructing the database, and how it can be accessed for further studies and design of materials. PMID:27622853

  4. Oscillatory growth for twisting crystals.

    PubMed

    Ibaraki, Shunsuke; Ise, Ryuta; Ishimori, Koichiro; Oaki, Yuya; Sazaki, Gen; Yokoyama, Etsuro; Tsukamoto, Katsuo; Imai, Hiroaki

    2015-05-18

    We demonstrate the oscillatory phenomenon for the twisting growth of a triclinic crystal through in situ observation of the concentration field around the growing tip of a needle by high-resolution phase-shift interferometry.

  5. Radiating dipoles in photonic crystals

    PubMed

    Busch; Vats; John; Sanders

    2000-09-01

    The radiation dynamics of a dipole antenna embedded in a photonic crystal are modeled by an initially excited harmonic oscillator coupled to a non-Markovian bath of harmonic oscillators representing the colored electromagnetic vacuum within the crystal. Realistic coupling constants based on the natural modes of the photonic crystal, i.e., Bloch waves and their associated dispersion relation, are derived. For simple model systems, well-known results such as decay times and emission spectra are reproduced. This approach enables direct incorporation of realistic band structure computations into studies of radiative emission from atoms and molecules within photonic crystals. We therefore provide a predictive and interpretative tool for experiments in both the microwave and optical regimes.

  6. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters.

  7. PREPARATION OF REFRACTORY OXIDE CRYSTALS

    DOEpatents

    Grimes, W.R.; Shaffer, J.H.; Watson, G.M.

    1962-11-13

    A method is given for preparing uranium dioxide, thorium oxide, and beryllium oxide in the form of enlarged individual crystals. The surface of a fused alkali metal halide melt containing dissolved uranium, thorium, or beryllium values is contacted with a water-vapor-bearing inert gas stream at a rate of 5 to 10 cubic centimeters per minute per square centimeter of melt surface area. Growth of individual crystals is obtained by prolonged contact. Beryllium oxide-coated uranium dioxide crystals are prepared by disposing uranium dioxide crystals 5 to 20 microns in diameter in a beryllium-containing melt and contacting the melt with a water-vapor-bearing inert gas stream in the same manner. (AEC)

  8. Crystal face temperature determination means

    DOEpatents

    Nason, Donald O.; Burger, Arnold

    1994-01-01

    An optically transparent furnace (10) having a detection apparatus (29) with a pedestal (12) enclosed in an evacuated ampule (16) for growing a crystal (14) thereon. Temperature differential is provided by a source heater (20), a base heater (24) and a cold finger (26) such that material migrates from a polycrystalline source material (18) to grow the crystal (14). A quartz halogen lamp (32) projects a collimated beam (30) onto the crystal (14) and a reflected beam (34) is analyzed by a double monochromator and photomultiplier detection spectrometer (40) and the detected peak position (48) in the reflected energy spectrum (44) of the reflected beam (34) is interpreted to determine surface temperature of the crystal (14).

  9. Crystal growth inside an octant.

    PubMed

    Olejarz, Jason; Krapivsky, P L

    2013-08-01

    We study crystal growth inside an infinite octant on a cubic lattice. The growth proceeds through the deposition of elementary cubes into inner corners. After rescaling by the characteristic size, the interface becomes progressively more deterministic in the long-time limit. Utilizing known results for the crystal growth inside a two-dimensional corner, we propose a hyperbolic partial differential equation for the evolution of the limiting shape. This equation is interpreted as a Hamilton-Jacobi equation, which helps in finding an analytical solution. Simulations of the growth process are in excellent agreement with analytical predictions. We then study the evolution of the subleading correction to the volume of the crystal, the asymptotic growth of the variance of the volume of the crystal, and the total number of inner and outer corners. We also show how to generalize the results to arbitrary spatial dimension. PMID:24032777

  10. Absence of Quantum Time Crystals

    NASA Astrophysics Data System (ADS)

    Watanabe, Haruki; Oshikawa, Masaki

    2015-06-01

    In analogy with crystalline solids around us, Wilczek recently proposed the idea of "time crystals" as phases that spontaneously break the continuous time translation into a discrete subgroup. The proposal stimulated further studies and vigorous debates whether it can be realized in a physical system. However, a precise definition of the time crystal is needed to resolve the issue. Here we first present a definition of time crystals based on the time-dependent correlation functions of the order parameter. We then prove a no-go theorem that rules out the possibility of time crystals defined as such, in the ground state or in the canonical ensemble of a general Hamiltonian, which consists of not-too-long-range interactions.

  11. On the real crystal octahedra.

    PubMed

    Voytekhovsky, Yury L

    2002-11-01

    A real crystal octahedron is defined as any polyhedron bounded, at least, by some of four pairs of parallel planes being in a standard crystallographic orientation with arbitrary distances between them. All the combinatorially non-equivalent shapes (30 in total) are found and characterized by 2-subordination symbols, automorphism group orders and symmetry point groups. The results are discussed with respect to the diamond crystal morphology. PMID:12388881

  12. Protein Crystal Recombinant Human Insulin

    NASA Technical Reports Server (NTRS)

    1994-01-01

    The comparison of protein crystal, Recombiant Human Insulin; space-grown (left) and earth-grown (right). On STS-60, Spacehab II indicated that space-grown crystals are larger and of greater optical clarity than their earth-grown counterparts. Recombiant Human Insulin 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.

  13. Crystal growing from the melt

    NASA Technical Reports Server (NTRS)

    Davis, S. H.

    1987-01-01

    The mechanical and electrical properties of crystals produced by a unidirectional process depend strongly on the temperature and flow fields since these control the concentration of solute at the melt-crystal interface. The solute gradient there drives morphological instabilities that lead to cellular or dendritic interfaces. In the presentation several features of flow-solidification interactions will be discussed. These will include the effects of convection driven by density changes and buoyancy and the imposition of forced flow.

  14. Scientist prepare Lysozyme Protein Crystal

    NASA Technical Reports Server (NTRS)

    1996-01-01

    Dan Carter and Charles Sisk center a Lysozyme Protein crystal grown aboard the USML-2 shuttle mission. Protein isolated from hen egg-white and functions as a bacteriostatic enzyme by degrading bacterial cell walls. First enzyme ever characterized by protein crystallography. It is used as an excellent model system for better understanding parameters involved in microgravity crystal growth experiments. The goal is to compare kinetic data from microgravity experiments with data from laboratory experiments to study the equilibrium.

  15. Thermotropic liquid crystals from biomacromolecules

    PubMed Central

    Liu, Kai; Chen, Dong; Marcozzi, Alessio; Zheng, Lifei; Su, Juanjuan; Pesce, Diego; Zajaczkowski, Wojciech; Kolbe, Anke; Pisula, Wojciech; Müllen, Klaus; Clark, Noel A.; Herrmann, Andreas

    2014-01-01

    Complexation of biomacromolecules (e.g., nucleic acids, proteins, or viruses) with surfactants containing flexible alkyl tails, followed by dehydration, is shown to be a simple generic method for the production of thermotropic liquid crystals. The anhydrous smectic phases that result exhibit biomacromolecular sublayers intercalated between aliphatic hydrocarbon sublayers at or near room temperature. Both this and low transition temperatures to other phases enable the study and application of thermotropic liquid crystal phase behavior without thermal degradation of the biomolecular components. PMID:25512508

  16. Single Crystal Silicon Instrument Mirrors

    NASA Technical Reports Server (NTRS)

    Bly, Vince

    2007-01-01

    The goals for the fabrication of single crystal silicon instrument mirrors include the following: 1) Develop a process for fabricating lightweight mirrors from single crystal silicon (SCS); 2) Modest lightweighting: 3X to 4X less than equivalent solid mirror; 3) High surface quality, better than lambda/40 RMS @ 633nm; 4) Significantly less expensive than current technology; and 5) Negligible distortion when cooled to cryogenic temperatures.

  17. Semiconductor crystal high resolution imager

    NASA Technical Reports Server (NTRS)

    Levin, Craig S. (Inventor); Matteson, James (Inventor)

    2011-01-01

    A radiation imaging device (10). The radiation image device (10) comprises a subject radiation station (12) producing photon emissions (14), and at least one semiconductor crystal detector (16) arranged in an edge-on orientation with respect to the emitted photons (14) to directly receive the emitted photons (14) and produce a signal. The semiconductor crystal detector (16) comprises at least one anode and at least one cathode that produces the signal in response to the emitted photons (14).

  18. Ethyl 6-(4-fluoro­phen­yl)-4-hy­droxy-2-oxo-4-trifluoro­meth­yl-1,3-diazinane-5-carboxyl­ate monohydrate

    PubMed Central

    Li, Gong-Chun; Wu, Chang-Zeng; Guo, Li-Li; Yang, Feng-Ling

    2011-01-01

    The asymmetric unit of the title compound, C14H14F4N2O4·H2O, contains two crystallographically independent organic mol­ecules and two water mol­ecules. The two 1,3-diazinane rings adopt a half-chair conformation and the dihedral angles between their mean planes and those of the benzene rings are 75.65 (4)° and 49.41 (3)° in the two mol­ecules. The crystal structure is stabilized by inter­molecular O—H⋯O and N—H⋯O hydrogen bonds. PMID:21837100

  19. Cross sections for electron-impact excitation of krypton from the levels of 4p{sup 6}, 4p{sup 5}5s, and 4p{sup 5}5p configurations

    SciTech Connect

    Zeng Jiaolong; Yuan Jianmin; Wu Jianhua; Jin Fengtao; Zhao Gang

    2005-10-15

    The electron-impact excitation cross sections at low electron energies have been calculated using a fully relativistic R-matrix method for transitions between levels of 4p{sup 6}, 4p{sup 5}5s, and 4p{sup 5}5p configurations. To ensure the convergence of results, we have paid special attention to the factors that may affect the convergence of cross sections. For examples, we have included extensive configuration interactions in the wave-function expansion of the target states. A large enough R-matrix boundary has been taken to ensure the convergence of atomic wave functions. Contributions to cross sections from a large number of partial waves (up to J=39.5) have been explicitly calculated. The final results are in good agreement with recent experimental data by Jung et al. [Phys. Rev. Lett. 94, 163202 (2005)] after shifting the position of electron energy. The relative difference is about 10% for four transitions out of the metastable levels. The results eliminated the significant discrepancies between theory and experimental work on excitation cross sections out of the metastable levels reported in the literature.

  20. K-italic-shell ionization cross sections for Al, Ti, V, Cr, Fe, Ni, Cu, and Ag by protons and oxygen ions in the energy range 0. 3--6. 4 MeV

    SciTech Connect

    Geretschlaeger, M.; Benka, O.

    1986-08-01

    Absolute K-italic-shell ionization cross sections have been measured for thin targets of Al, Ti, and Cu for protons in the energy range 0.3--2.0 MeV and for thin targets of Ti, V, Cr, Fe, Ni, Cu, and Ag for oxygen ions in the energy range 1.36--6.4 Mev. The experimental results are compared to the perturbed-stationary-state (PSS) approximation with energy-loss (E), Coulomb (C), and relativistic (R) corrections, i.e., the ECPSSR approximation (Brandt and Lapicki), to the semiclassical approximation (Laegsgaard, Andersen, and Lund), and to a theory for direct Coulomb ionization of the 1s-italicsigma molecular orbital (Montenegro and Sigaud (MS)). The proton results agree within 3% with empirical reference cross sections. Also, the ECPSSR provides best overall agreement for protons. For oxygen ions, ECPSSR and MS predict experimental results satisfactorily for scaled velocities xi> or =0.4. For lower scaled velocities, the experimental cross sections become considerably higher than theoretical predictions for Coulomb ionization. This deviation increases with increasing Z-italic/sub 1//Z/sub 2/; it cannot be explained by electron transfer to the projectile or by ionization due to target recoil atoms.