Sample records for plasmatocytes crystal cells
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Directory of Open Access Journals (Sweden)
Paul T Kroeger
Full Text Available In Drosophila, circulating hemocytes are derived from the cephalic mesoderm during the embryonic wave of hematopoiesis. These cells are contributed to the larva and persist through metamorphosis into the adult. To analyze this population of hemocytes, we considered data from a previously published RNAi screen in the hematopoietic niche, which suggested several members of the SCF complex play a role in lymph gland development. eater-Gal4;UAS-GFP flies were crossed to UAS-RNAi lines to knockdown the function of all known SCF complex members in a plasmatocyte-specific fashion, in order to identify which members are novel regulators of plasmatocytes. This specific SCF complex contains five core members: Lin-19-like, SkpA, Skp2, Roc1a and complex activator Nedd8. The complex was identified by its very distinctive large cell phenotype. Furthermore, these large cells stained for anti-P1, a plasmatocyte-specific antibody. It was also noted that the DNA in these cells appeared to be over-replicated. Gamma-tubulin and DAPI staining suggest the cells are undergoing re-replication as they had multiple centrioles and excessive DNA content. Further experimentation determined enlarged cells were BrdU-positive indicating they have progressed through S-phase. To determine how these cells become enlarged and undergo re-replication, cell cycle proteins were analyzed by immunofluorescence. This analysis identified three proteins that had altered subcellular localization in these enlarged cells: Cyclin E, Geminin and Double-parked. Previous research has shown that Double-parked must be degraded to exit S-phase, otherwise the DNA will undergo re-replication. When Double-parked was titrated from the nucleus by an excess of its inhibitor, geminin, the enlarged cells and aberrant protein localization phenotypes were partially rescued. The data in this report suggests that the SCF(Skp2 complex is necessary to ubiquitinate Double-parked during plasmatocyte cell division
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Lineage tracing of lamellocytes demonstrates Drosophila macrophage plasticity.
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Martin Stofanko
2010-11-01
Full Text Available Leukocyte-like cells called hemocytes have key functions in Drosophila innate immunity. Three hemocyte types occur: plasmatocytes, crystal cells, and lamellocytes. In the absence of qimmune challenge, plasmatocytes are the predominant hemocyte type detected, while crystal cells and lamellocytes are rare. However, upon infestation by parasitic wasps, or in melanotic mutant strains, large numbers of lamellocytes differentiate and encapsulate material recognized as "non-self". Current models speculate that lamellocytes, plasmatocytes and crystal cells are distinct lineages that arise from a common prohemocyte progenitor. We show here that over-expression of the CoREST-interacting transcription factor Chn in plasmatocytes induces lamellocyte differentiation, both in circulation and in lymph glands. Lamellocyte increases are accompanied by the extinction of plasmatocyte markers suggesting that plasmatocytes are transformed into lamellocytes. Consistent with this, timed induction of Chn over-expression induces rapid lamellocyte differentiation within 18 hours. We detect double-positive intermediates between plasmatocytes and lamellocytes, and show that isolated plasmatocytes can be triggered to differentiate into lamellocytes in vitro, either in response to Chn over-expression, or following activation of the JAK/STAT pathway. Finally, we have marked plasmatocytes and show by lineage tracing that these differentiate into lamellocytes in response to the Drosophila parasite model Leptopilina boulardi. Taken together, our data suggest that lamellocytes arise from plasmatocytes and that plasmatocytes may be inherently plastic, possessing the ability to differentiate further into lamellocytes upon appropriate challenge.
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Directory of Open Access Journals (Sweden)
Williams Michael J
2009-03-01
Full Text Available Abstract Background When the parasitoid wasp Leptopilina boulardi lays its eggs in Drosophila larvae phagocytic cells called plasmatocytes and specialized cells known as lamellocytes encapsulate the egg. This requires these circulating immunosurveillance cells (haemocytes to change from a non-adhesive to an adhesive state enabling them to bind to the invader. Interestingly, attachment of leukocytes, platelets, and insect haemocytes requires the same adhesion complexes as epithelial and neuronal cells. Results Here evidence is presented showing that the Drosophila L1-type cell adhesion molecule Neuroglian (Nrg is required for haemocytes to encapsulate L. boulardi wasp eggs. The amino acid sequence FIGQY containing a conserved phosphorylated tyrosine is found in the intracellular domain of all L1-type cell adhesion molecules. This conserved tyrosine is phosphorylated at the cell periphery of plasmatocytes and lamellocytes prior to parasitisation, but dephosphorylated after immune activation. Intriguingly, another pool of Nrg located near the nucleus of plasmatocytes remains phosphorylated after parasitisation. In mammalian neuronal cells phosphorylated neurofascin, another L1-type cell adhesion molecule interacts with a nucleokinesis complex containing the microtubule binding protein lissencephaly-1 (Lis1 1. Interestingly in plasmatocytes from Nrg mutants the nucleokinesis regulating protein Lissencephaly-1 (Lis1 fails to localise properly around the nucleus and is instead found diffuse throughout the cytoplasm and at unidentified perinuclear structures. After attaching to the wasp egg control plasmatocytes extend filopodia laterally from their cell periphery; as well as extending lateral filopodia plasmatocytes from Nrg mutants also extend many filopodia from their apical surface. Conclusion The Drosophila cellular adhesion molecule Neuroglian is expressed in haemocytes and its activity is required for the encapsulation of L. boularli eggs. At
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Wu, Gongqing; Liu, Yi; Ding, Ying; Yi, Yunhong
2016-08-01
Galleria mellonella larvae have been widely used as a model to study the virulence of various human pathogens. Hemocytes play important roles in the innate immune response of G. mellonella. In this study, the hemocytes of G. mellonella larvae were analyzed by transmission electron microscope, light microscope, and cytochemistry. The cytological and morphological analyses revealed four types of hemocytes; Plasmatocytes, granular cells, spherule cells and oenocytoids. Differential hemocyte counts showed that under our conditions plasmatocytes and granular cells were the most abundant circulating cell types in the hemolymph. We also investigated the role of different types of hemocytes in the cellular and humoral immune defenses. The in-vivo experiment showed that plasmatocytes, granular cells and oenocytoids phagocytized FITC-labelled Escherichia coli bacteria in larvae of G. mellonella, whereas the granular cells exhibited the strongest phagocytic ability against these microbial cells. After incubation with L-DOPA, plasmatocytes, granular cells and oenocytoids are stained brown, indicating the presence of phenoloxidase activity. These results shed new light on our understanding of the immune function of G. mellonella hemocytes. Copyright © 2016 Elsevier Ltd. All rights reserved.
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[Functional morphology of blowfly Calliphora vicina hemocytes].
Kind, T V
2012-01-01
In the hemolymph of Calliphora seven types of hemocytes were revealed. These are prohemocytes, which are the stem cells, stable and unstable hyaline cells, thrombocytoids, spindle cells, juvenile plasmatocytes and plasmatocytes I-IV, which represent sequential stages of one cell line differentiation were registered. The margin between them is completion of the crop emptying and beginning of wandering stage. In the feeding and crop emptying larvae take place rising of hyaline cells, thrombocytoids and hyaline cells amount with parallel growth of their defense function. The second wave of hemogenesis occur in the end of crop emptying period. It is accompanied by burst of plasmatocyte I production with their subsequent differentiation to plasmatocytes II-IV. Production of stable hyaline cells and respectively prothrombocytoids may be regulated not only by hormonal background but also by inorganic or organic particles invaded into the hemocel. Three types of hemocytes are involved in loosing of hemolymph from alien particles, notably thrombocytoids, juvenile plasmatocytes and plasmatocytes I and II. Thrombocytoids are responsible for parasitic eggs encapsulation. In addition they can phagocytize tiny organic and inorganic particles. Juvenile plasmatocytes respond to alien invasion almost as quickly as thrombocytoids at the onset of invasion. Plasmatocytes I and II start phagocytosis more slowly, hours post invasion, frequently accumulating the particles previously catched by thrombocytoids. Plasmatocytes I can absorb foreign particles and group in morules and can also surround filled thrombocytoids forming distinctive capsules. Both morules and capsules are temporary structures and disintegrate some hours lately. It is supposed the existence of three levels of immune defence: the fast response reaction of thrombocytoids and juvenile plasmatocytes and slow cellular reactions of plasmatocytes I. They are prerequisites for more extensive humoral response.
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Two hemocyte lineages exist in silkworm larval hematopoietic organ.
Nakahara, Yuichi; Kanamori, Yasushi; Kiuchi, Makoto; Kamimura, Manabu
2010-07-28
Insects have multiple hemocyte morphotypes with different functions as do vertebrates, however, their hematopoietic lineages are largely unexplored with the exception of Drosophila melanogaster. To study the hematopoietic lineage of the silkworm, Bombyx mori, we investigated in vivo and in vitro differentiation of hemocyte precursors in the hematopoietic organ (HPO) into the four mature hemocyte subsets, namely, plasmatocytes, granulocytes, oenocytoids, and spherulocytes. Five days after implantation of enzymatically-dispersed HPO cells from a GFP-expressing transgenic line into the hemocoel of normal larvae, differentiation into plasmatocytes, granulocytes and oenocytoids, but not spherulocytes, was observed. When the HPO cells were cultured in vitro, plasmatocytes appeared rapidly, and oenocytoids possessing prophenol oxidase activity appeared several days later. HPO cells were also able to differentiate into a small number of granulocytes, but not into spherulocytes. When functionally mature plasmatocytes were cultured in vitro, oenocytoids were observed 10 days later. These results suggest that the hemocyte precursors in HPO first differentiate into plasmatocytes, which further change into oenocytoids. From these results, we propose that B. mori hemocytes can be divided into two major lineages, a granulocyte lineage and a plasmatocyte-oenocytoid lineage. The origins of the spherulocytes could not be determined in this study. We construct a model for the hematopoietic lineages at the larval stage of B. mori.
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Two hemocyte lineages exist in silkworm larval hematopoietic organ.
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Yuichi Nakahara
Full Text Available BACKGROUND: Insects have multiple hemocyte morphotypes with different functions as do vertebrates, however, their hematopoietic lineages are largely unexplored with the exception of Drosophila melanogaster. METHODOLOGY/PRINCIPAL FINDINGS: To study the hematopoietic lineage of the silkworm, Bombyx mori, we investigated in vivo and in vitro differentiation of hemocyte precursors in the hematopoietic organ (HPO into the four mature hemocyte subsets, namely, plasmatocytes, granulocytes, oenocytoids, and spherulocytes. Five days after implantation of enzymatically-dispersed HPO cells from a GFP-expressing transgenic line into the hemocoel of normal larvae, differentiation into plasmatocytes, granulocytes and oenocytoids, but not spherulocytes, was observed. When the HPO cells were cultured in vitro, plasmatocytes appeared rapidly, and oenocytoids possessing prophenol oxidase activity appeared several days later. HPO cells were also able to differentiate into a small number of granulocytes, but not into spherulocytes. When functionally mature plasmatocytes were cultured in vitro, oenocytoids were observed 10 days later. These results suggest that the hemocyte precursors in HPO first differentiate into plasmatocytes, which further change into oenocytoids. CONCLUSIONS/SIGNIFICANCE: From these results, we propose that B. mori hemocytes can be divided into two major lineages, a granulocyte lineage and a plasmatocyte-oenocytoid lineage. The origins of the spherulocytes could not be determined in this study. We construct a model for the hematopoietic lineages at the larval stage of B. mori.
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Investigation of Pockels Cells Crystal Contrast Ratio Distribution
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Giedrius Sinkevičius
2017-07-01
Full Text Available The BBO Pockel’s cell has been investigated. The investigation results of optimal operating area on the surface of the crystal dependent of intrinsic contrast ratio (ICR and voltage contrast ratio (VCR for Pockel’s cell are presented. The block diagram of Pockel’s cells contrast measurement stand and measurement methodology are introduced and discussed. The graphs of intrinsic contrast ratio distribution on crystal surface, contrast ratio with voltage dependency and voltage contrast ratio distribution on crystal surface with half-wave voltage are presented.
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Photonic crystal geometry for organic solar cells.
Ko, Doo-Hyun; Tumbleston, John R; Zhang, Lei; Williams, Stuart; DeSimone, Joseph M; Lopez, Rene; Samulski, Edward T
2009-07-01
We report organic solar cells with a photonic crystal nanostructure embossed in the photoactive bulk heterojunction layer, a topography that exhibits a 3-fold enhancement of the absorption in specific regions of the solar spectrum in part through multiple excitation resonances. The photonic crystal geometry is fabricated using a materials-agnostic process called PRINT wherein highly ordered arrays of nanoscale features are readily made in a single processing step over wide areas (approximately 4 cm(2)) that is scalable. We show efficiency improvements of approximately 70% that result not only from greater absorption, but also from electrical enhancements. The methodology is generally applicable to organic solar cells and the experimental findings reported in our manuscript corroborate theoretical expectations.
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Gallium arsenide single crystal solar cell structure and method of making
Stirn, Richard J. (Inventor)
1983-01-01
A production method and structure for a thin-film GaAs crystal for a solar cell on a single-crystal silicon substrate (10) comprising the steps of growing a single-crystal interlayer (12) of material having a closer match in lattice and thermal expansion with single-crystal GaAs than the single-crystal silicon of the substrate, and epitaxially growing a single-crystal film (14) on the interlayer. The material of the interlayer may be germanium or graded germanium-silicon alloy, with low germanium content at the silicon substrate interface, and high germanium content at the upper surface. The surface of the interface layer (12) is annealed for recrystallization by a pulsed beam of energy (laser or electron) prior to growing the interlayer. The solar cell structure may be grown as a single-crystal n.sup.+ /p shallow homojunction film or as a p/n or n/p junction film. A Ga(Al)AS heteroface film may be grown over the GaAs film.
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Farley, Christopher; Burks, Geoffry; Siegert, Thomas; Juers, Douglas H
2014-08-01
In macromolecular cryocrystallography unit-cell parameters can have low reproducibility, limiting the effectiveness of combining data sets from multiple crystals and inhibiting the development of defined repeatable cooling protocols. Here, potential sources of unit-cell variation are investigated and crystal dehydration during loop-mounting is found to be an important factor. The amount of water lost by the unit cell depends on the crystal size, the loop size, the ambient relative humidity and the transfer distance to the cooling medium. To limit water loss during crystal mounting, a threefold strategy has been implemented. Firstly, crystal manipulations are performed in a humid environment similar to the humidity of the crystal-growth or soaking solution. Secondly, the looped crystal is transferred to a vial containing a small amount of the crystal soaking solution. Upon loop transfer, the vial is sealed, which allows transport of the crystal at its equilibrated humidity. Thirdly, the crystal loop is directly mounted from the vial into the cold gas stream. This strategy minimizes the exposure of the crystal to relatively low humidity ambient air, improves the reproducibility of low-temperature unit-cell parameters and offers some new approaches to crystal handling and cryoprotection.
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Mayorova, Tatiana D; Smith, Carolyn L; Hammar, Katherine; Winters, Christine A; Pivovarova, Natalia B; Aronova, Maria A; Leapman, Richard D; Reese, Thomas S
2018-01-01
Trichoplax adhaerens has only six cell types. The function as well as the structure of crystal cells, the least numerous cell type, presented an enigma. Crystal cells are arrayed around the perimeter of the animal and each contains a birefringent crystal. Crystal cells resemble lithocytes in other animals so we looked for evidence they are gravity sensors. Confocal microscopy showed that their cup-shaped nuclei are oriented toward the edge of the animal, and that the crystal shifts downward under the influence of gravity. Some animals spontaneously lack crystal cells and these animals behaved differently upon being tilted vertically than animals with a typical number of crystal cells. EM revealed crystal cell contacts with fiber cells and epithelial cells but these contacts lacked features of synapses. EM spectroscopic analyses showed that crystals consist of the aragonite form of calcium carbonate. We thus provide behavioral evidence that Trichoplax are able to sense gravity, and that crystal cells are likely to be their gravity receptors. Moreover, because placozoans are thought to have evolved during Ediacaran or Cryogenian eras associated with aragonite seas, and their crystals are made of aragonite, they may have acquired gravity sensors during this early era.
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Directory of Open Access Journals (Sweden)
Jie Wang
2017-12-01
Full Text Available Gout is an inflammatory arthritis caused by deposition of intra-articular monosodium urate (MSU crystal. Previous studies have focused on resident macrophage, infiltrating monocyte, and neutrophil responses to MSU crystal; yet the mechanisms of cellular changes and the potential involvement of other regulatory immune cells remain largely unknown. Invariant natural killer T (iNKT cells, an innate type of T cell, are involved in the development of various inflammatory diseases. Here, we investigate the role of iNKT cells in MSU crystal-induced gouty inflammation. MSU crystal-induced inflammatory profiles in an air-pouch model were examined in iNKT-deficient CD1d knockout (KO and wild-type (WT control mice. To explore potential mechanisms of iNKT cell regulation of gouty inflammation, we cocultured CD4+ or CD4−iNKT cells with bone marrow-derived macrophages (BMDMs. We found that iNKT cells quickly migrated to the site of inflammation upon MSU crystal stimulation in WT mice. The total number of infiltrating cells in CD1d KO mice, especially neutrophils, was dramatically increased at 6 and 12 h (P < 0.01 post-MSU crystal challenge, compared with WT controls. BMDMs cocultured with CD4+iNKT cells produced less tumor necrosis factor-α and expressed higher levels of M2 macrophage markers, including Clec7a, Pdcd1Ig2, and interleukin-4 (P < 0.01, compared with BMDMs cocultured with CD4−iNKT cells or conventional CD4+ T cells. CD4+iNKT cells are one of the key regulators of MSU crystal-induced gouty inflammation through the control of macrophage polarization. iNKT cells may serve as a new therapeutic target for gout.
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Progress in thin-film silicon solar cells based on photonic-crystal structures
Ishizaki, Kenji; De Zoysa, Menaka; Tanaka, Yoshinori; Jeon, Seung-Woo; Noda, Susumu
2018-06-01
We review the recent progress in thin-film silicon solar cells with photonic crystals, where absorption enhancement is achieved by using large-area resonant effects in photonic crystals. First, a definitive guideline for enhancing light absorption in a wide wavelength range (600–1100 nm) is introduced, showing that the formation of multiple band edges utilizing higher-order modes confined in the thickness direction and the introduction of photonic superlattice structures enable significant absorption enhancement, exceeding that observed for conventional random scatterers. Subsequently, experimental evidence of this enhancement is demonstrated for a variety of thin-film Si solar cells: ∼500-nm-thick ultrathin microcrystalline silicon cells, few-µm-thick microcrystalline silicon cells, and ∼20-µm-thick thin single-crystalline silicon cells. The high short-circuit current densities and/or efficiencies observed for each cell structure confirm the effectiveness of using multiple band-edge resonant modes of photonic crystals for enhancing broadband absorption in actual solar cells.
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Honey bee hemocyte profiling by flow cytometry.
Marringa, William J; Krueger, Michael J; Burritt, Nancy L; Burritt, James B
2014-01-01
Multiple stress factors in honey bees are causing loss of bee colonies worldwide. Several infectious agents of bees are believed to contribute to this problem. The mechanisms of honey bee immunity are not completely understood, in part due to limited information about the types and abundances of hemocytes that help bees resist disease. Our study utilized flow cytometry and microscopy to examine populations of hemolymph particulates in honey bees. We found bee hemolymph includes permeabilized cells, plasmatocytes, and acellular objects that resemble microparticles, listed in order of increasing abundance. The permeabilized cells and plasmatocytes showed unexpected differences with respect to properties of the plasma membrane and labeling with annexin V. Both permeabilized cells and plasmatocytes failed to show measurable mitochondrial membrane potential by flow cytometry using the JC-1 probe. Our results suggest hemolymph particulate populations are dynamic, revealing significant differences when comparing individual hive members, and when comparing colonies exposed to diverse conditions. Shifts in hemocyte populations in bees likely represent changing conditions or metabolic differences of colony members. A better understanding of hemocyte profiles may provide insight into physiological responses of honey bees to stress factors, some of which may be related to colony failure.
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Influence of RF power on performance of sputtered a-IGZO based liquid crystal cells
Energy Technology Data Exchange (ETDEWEB)
Wu, G.M., E-mail: wu@mail.cgu.edu.tw; Sahoo, A.K.; Liu, C.Y.
2015-12-01
The influence of radio-frequency (RF) power on sputter-deposited amorphous indium gallium zinc oxide (a-IGZO) films and the corresponding liquid crystal cell performances have been investigated. The inorganic films were used as alternative alignment layers for liquid crystal display cells. The columnar growth of film was achieved by non-contact, fixed oblique deposition using RF sputtering at the power of 50 W, 60 W and 70 W. The experiments have been carried out to compare the physical characteristics with those of the traditional polyimide (PI) alignment layers used for liquid crystal cells. The cell performances in voltage-transmittance, contrast ratio, and response time were all evaluated. The liquid crystal pretilt angle has been determined to be about 13° using 70 W power deposited a-IGZO film. It was 6° for the 60 W deposited film and only 1.5° for the PI alignment film. The experimental cell rise time and fall time was 1.25 ms and 2.96 ms, respectively. Thus, a very quick response time of 4.21 ms has been achieved. It was about 6.62 ms for the PI alignment control cell. - Highlights: • Radio-frequency power of indium gallium zinc oxide film deposition was studied. • The oblique deposition technique was used to prepare the alignment layers. • The liquid crystal pretilt angle was about 13° using 70 W. • The corresponding liquid crystal cells exhibited fast response time at 4.21 ms. • The cells showed low threshold voltage of 1.78 V and excellent contrast ratio.
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Shaurub, El-Sayed H; Abd El-Meguid, Afaf; Abd El-Aziz, Nahla M
2014-10-01
The total haemocyte count (THC) and the possible ultrastructural alterations induced in the haemocytes of the fourth larval instars of the Egyptian cotton leafworm, Spodoptera littoralis (Boisd.) (Lepidoptera: Noctuidae), 96 h post-feeding on a semi-synthetic diet, treated with the LC50 of Spodoptera littoralis multicapsid nucleopolyhedrovirus (SpliMNPV) and the LC50 of azadirachtin alone, and the LC25 of SpliMNPV combined with the LC25 of azadirachtin were studied and compared to the control. Single treatment with the virus and azadirachtin or combined treatment significantly decreased the THC compared to the control. There are five types of haemocytes in S. littoralis: prohaemocytes, plasmatocytes, granulocytes, spherulocytes and oenocytoids. The most common symptoms in granulocytes and plasmatocytes, the main affected cell types, due to viral infection were the presence of virogenic stroma, peripheral dispersion of the chromatin and disappearance of the nucleoli. However, the most common symptoms in these two types of haemocytes due to treatment with azadirachtin were the presence of rough endoplasmic reticulum filled with fibrous materials, due to probably apoptosis, in their cisternae and disorganization of mitochondria (looped, vacuolated and swollen). In addition, the cytoplasm of granulocytes was vacuolated with the appearance of autophagic lysosomes, while plasmatocytes showed ruptured cell membrane and folded nuclear envelope. Combined treatment with the NPV and azadirachtin induced the same pathological changes which were recorded from individual treatment with the virus or azadirachtin to the same haemocytes. It can be concluded that the change in the THC and ultrastructure of granulocytes and plasmatocytes may affect the cellular-mediated immune response in S. littoralis. Moreover, it seems likely that mitochondria were the target site of azadirachtin, as they were affected in both granulocytes and plasmatocytes treated with azadirachtin alone or in
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Crystal structure mediates mode of cell death in TiO2 nanotoxicity
International Nuclear Information System (INIS)
Braydich-Stolle, Laura K.; Schaeublin, Nicole M.; Murdock, Richard C.; Jiang, Jingkun; Biswas, Pratim; Schlager, John J.; Hussain, Saber M.
2009-01-01
Certain properties that nanoparticles possess differentiate them from their bulk counterparts, and these characteristics must be evaluated prior to nanoparticle studies and include: size, shape, dispersion, physical and chemical properties, surface area, and surface chemistry. Early nanotoxicity studies evaluating TiO 2 have yielded conflicting data which identify either size or crystal structure as the mediating property for nano-TiO 2 toxicity. However, it is important to note that none of these studies examined size with the crystal structure composition controlled for or examined crystal structure while controlling the nanoparticle size. The goal of this study was to evaluate the role of size and crystal structure in TiO 2 nanotoxicity while controlling for as many other nanoproperties as possible using the HEL-30 mouse keratinocyte cell line as a model for dermal exposure. In the size-dependent studies, all the nanoparticles are 100% anatase, and aggregate sizes were determined in order to take into account the effect of agglomeration on size-dependent toxicity. In addition, varying crystal structures were assessed while the size of the nanoparticles was controlled. We were able to identify that both size and crystal structure contribute to cytotoxicity and that the mechanism of cell death varies based on crystal structure. The 100% anatase TiO 2 nanoparticles, regardless of size, induced cell necrosis, while the rutile TiO 2 nanoparticles initiated apoptosis through formation of reactive oxygen species (ROS).
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Solar cell structure incorporating a novel single crystal silicon material
Pankove, Jacques I.; Wu, Chung P.
1983-01-01
A novel hydrogen rich single crystal silicon material having a band gap energy greater than 1.1 eV can be fabricated by forming an amorphous region of graded crystallinity in a body of single crystalline silicon and thereafter contacting the region with atomic hydrogen followed by pulsed laser annealing at a sufficient power and for a sufficient duration to recrystallize the region into single crystal silicon without out-gassing the hydrogen. The new material can be used to fabricate semiconductor devices such as single crystal silicon solar cells with surface window regions having a greater band gap energy than that of single crystal silicon without hydrogen.
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The Monte Carlo simulations of liquid crystal cell with bend distortions
International Nuclear Information System (INIS)
Zhou Xuan; Zhang Zhidong
2010-01-01
Strong anchoring nematic liquid crystal cell with bend distortions is studied, This liquid crystal cell has fast response in application prospects. The continuum theory has given that the surface elastic energy k 13 term causes surface discontinuities of the liquid crystal director. Study based on molecular theory, the pair potential parameters link directly to the surface elastic energy coefficient k 13 . The effect of finite temperature is studied by Monte Carlo simulation. The second rank ordering tensor is calculated, the largest eigenvalue gives the order parameter, and its corresponding eigenvector identifies the director in the continuum theory. It is shown that it doesn't present the surface discontinuities based on the molecular theory and the k 13 term in pair potential will increase the fluctuation in the middle of the cell. By inference, the boundary discontinuity caused by k 13 item in continuum theory is resulted from the neglecting of the higher items than the second rank of the elastic energy. (authors)
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Tracking Traction Force Changes of Single Cells on the Liquid Crystal Surface
Directory of Open Access Journals (Sweden)
Chin Fhong Soon
2015-01-01
Full Text Available Cell migration is a key contributor to wound repair. This study presents findings indicating that the liquid crystal based cell traction force transducer (LCTFT system can be used in conjunction with a bespoke cell traction force mapping (CTFM software to monitor cell/surface traction forces from quiescent state in real time. In this study, time-lapse photo microscopy allowed cell induced deformations in liquid crystal coated substrates to be monitored and analyzed. The results indicated that the system could be used to monitor the generation of cell/surface forces in an initially quiescent cell, as it migrated over the culture substrate, via multiple points of contact between the cell and the surface. Future application of this system is the real-time assaying of the pharmacological effects of cytokines on the mechanics of cell migration.
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Crystal structure mediates mode of cell death in TiO{sub 2} nanotoxicity
Energy Technology Data Exchange (ETDEWEB)
Braydich-Stolle, Laura K.; Schaeublin, Nicole M.; Murdock, Richard C. [Wright-Patterson AFB, Applied Biotechnology Branch, Human Effectiveness Directorate, Air Force Research Laboratory (United States); Jiang, Jingkun; Biswas, Pratim [Washington University in St. Louis, Department of Energy, Environmental, and Chemical Engineering (United States); Schlager, John J.; Hussain, Saber M., E-mail: Saber.Hussain@wpafb.af.mi [Wright-Patterson AFB, Applied Biotechnology Branch, Human Effectiveness Directorate, Air Force Research Laboratory (United States)
2009-08-15
Certain properties that nanoparticles possess differentiate them from their bulk counterparts, and these characteristics must be evaluated prior to nanoparticle studies and include: size, shape, dispersion, physical and chemical properties, surface area, and surface chemistry. Early nanotoxicity studies evaluating TiO{sub 2} have yielded conflicting data which identify either size or crystal structure as the mediating property for nano-TiO{sub 2} toxicity. However, it is important to note that none of these studies examined size with the crystal structure composition controlled for or examined crystal structure while controlling the nanoparticle size. The goal of this study was to evaluate the role of size and crystal structure in TiO{sub 2} nanotoxicity while controlling for as many other nanoproperties as possible using the HEL-30 mouse keratinocyte cell line as a model for dermal exposure. In the size-dependent studies, all the nanoparticles are 100% anatase, and aggregate sizes were determined in order to take into account the effect of agglomeration on size-dependent toxicity. In addition, varying crystal structures were assessed while the size of the nanoparticles was controlled. We were able to identify that both size and crystal structure contribute to cytotoxicity and that the mechanism of cell death varies based on crystal structure. The 100% anatase TiO{sub 2} nanoparticles, regardless of size, induced cell necrosis, while the rutile TiO{sub 2} nanoparticles initiated apoptosis through formation of reactive oxygen species (ROS).
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Cell spreading is an integral component of insect hemocytic immune reactions to infections and invasions. Cell spreading is accomplished by cytoskeleton rearrangement, which is activated by three major immune mediators, biogenic monoamines, plasmatocyte-spreading peptide (PSP), and eicosanoids, part...
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Anti-Solvent Crystallization Strategies for Highly Efficient Perovskite Solar Cells
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Maria Konstantakou
2017-09-01
Full Text Available Solution-processed organic-inorganic halide perovskites are currently established as the hottest area of interest in the world of photovoltaics, ensuring low manufacturing cost and high conversion efficiencies. Even though various fabrication/deposition approaches and device architectures have been tested, researchers quickly realized that the key for the excellent solar cell operation was the quality of the crystallization of the perovskite film, employed to assure efficient photogeneration of carriers, charge separation and transport of the separated carriers at the contacts. One of the most typical methods in chemistry to crystallize a material is anti-solvent precipitation. Indeed, this classical precipitation method worked really well for the growth of single crystals of perovskite. Fortunately, the method was also effective for the preparation of perovskite films by adopting an anti-solvent dripping technique during spin-coating the perovskite precursor solution on the substrate. With this, polycrystalline perovskite films with pure and stable crystal phases accompanied with excellent surface coverage were prepared, leading to highly reproducible efficiencies close to 22%. In this review, we discuss recent results on highly efficient solar cells, obtained by the anti-solvent dripping method, always in the presence of Lewis base adducts of lead(II iodide. We present all the anti-solvents that can be used and what is the impact of them on device efficiencies. Finally, we analyze the critical challenges that currently limit the efficacy/reproducibility of this crystallization method and propose prospects for future directions.
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Smectic liquid crystal cell with heat pulse and laser
International Nuclear Information System (INIS)
Mash, D.H.
1984-01-01
A method of operating a homeotropically aligned smectic liquid crystal cell in which the cell is turned from a clear to a scattering state by illumination with an intense flash of light after which a focused laser beam is scanned across the layer to leave clear tracks where homeotropic alignment has been restored thereby producing a display providing, in projection, bright lines on a dark background
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International Nuclear Information System (INIS)
Cunha, Franklin M.; Wanderley-Teixeira, Valeria; Albuquerque, Auristela C.; Lima, Elza A.L.A.
2009-01-01
We aimed to characterize the morphology and ultrastructure of hemocytes of Nasutitermes coxipoensis (Holmgren) workers and to quantify the cell types 24h, 48h and 72h after inoculation with Metarhizium anisopliae. Six hemocytes types were identified, plasmatocyte, granulocyte, spherulocyte, prohemocyte, adipohemocyte and eonocytoid Hemocytes did not present any morphological alteration at the several observation periods, but they did have a change in their abundance, as observed for spherulocytes, adipohemocytes and eonocytoids at all intervals, and for plasmatocytes and granulocytes at 48h after host inoculation. We argue on the possible reasons and implications of the observed changes. (author)
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Energy Technology Data Exchange (ETDEWEB)
Cunha, Franklin M.; Wanderley-Teixeira, Valeria; Albuquerque, Auristela C. [Universidade Federal Rural de Pernambuco (UFRPE), Recife, PE (Brazil). Programa de Pos-Graduacao em Entomologia Agricola], e-mail: ukento@yahoo.com.br; Teixeira, Alvaro A.C. [Universidade Federal Rural de Pernambuco (UFRPE), Recife, PE (Brazil). Dept. de Morfologia e Fisiologia Animal], e-mail: valeria@dmfa.ufrpe.br, e-mail: auritermes@yahoo.com.br; Alves, Luiz C. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Lab. de Imunopatologia Keizo Asami (LIKA); Lima, Elza A.L.A. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Micologia. Lab. de Controle Biologico
2009-03-15
We aimed to characterize the morphology and ultrastructure of hemocytes of Nasutitermes coxipoensis (Holmgren) workers and to quantify the cell types 24h, 48h and 72h after inoculation with Metarhizium anisopliae. Six hemocytes types were identified, plasmatocyte, granulocyte, spherulocyte, prohemocyte, adipohemocyte and eonocytoid Hemocytes did not present any morphological alteration at the several observation periods, but they did have a change in their abundance, as observed for spherulocytes, adipohemocytes and eonocytoids at all intervals, and for plasmatocytes and granulocytes at 48h after host inoculation. We argue on the possible reasons and implications of the observed changes. (author)
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Crystallization and X-ray diffraction studies of crustacean proliferating cell nuclear antigen
International Nuclear Information System (INIS)
Carrasco-Miranda, Jesus S.; Cardona-Felix, Cesar S.; Lopez-Zavala, Alonso A.; Re Vega, Enrique de la; De la Mora, Eugenio; Rudiño-Piñera, Enrique; Sotelo-Mundo, Rogerio R.; Brieba, Luis G.
2012-01-01
Proliferating cell nuclear antigen from Litopenaeus vannamei was recombinantly expressed, purified and crystallized. Diffraction data were obtained and processed to 3 Å. Proliferating cell nuclear antigen (PCNA), a member of the sliding clamp family of proteins, interacts specifically with DNA replication and repair proteins through a small peptide motif called the PCNA-interacting protein or PIP box. PCNA is recognized as one of the key proteins involved in DNA metabolism. In the present study, the recombinant PCNA from Litopenaeus vannamei (LvPCNA) was heterologously overexpressed and purified using metal ion-affinity chromatography. Crystals suitable for diffraction grew overnight using the hanging-drop vapour-diffusion method. LvPCNA crystals belong to space group C2 with unit-cell parameters a = 144.6, b = 83.4, c = 74.3 Å, β = 117.6°. One data set was processed to 3 Å resolution, with an overall R meas of 0.09 and a completeness of 93.3%. Initial phases were obtained by molecular replacement using a homology model of LvPCNA as the search model. Refinement and structural analysis are underway. This report is the first successful crystallographic analysis of a marine crustacean decapod shrimp (L. vannamei) proliferating cell nuclear antigen
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Zhang, Zhong; Ye, Gong-Yin; Cai, Jun; Hu, Cui
2005-09-01
Crude venoms from two parasitoid species, Pteromalus puparum and Nasonia vitripennis (Hymenoptera: Pteromalidae) were assayed for biological activities toward hemocytes from two species of their natural hosts and eight species of their non-natural hosts as well as two lines of cultured Lepidoptera cells, respectively. By inhibiting the spreading and viability of insect hemocytes, the venom from P. puparum displayed significantly higher activities toward plasmatocytes and granular cells from both larvae and pupae of two natural hosts, Pieris rapae and Papilio xuthus, and lower activity toward those from Spodoptera litura, Musca domestica and Sarcophaga peregrina. However, no effect was found towards any type of hemocytes from other five insects tested, namely, Ectropis oblique, Galleria mellonella, Sesamia inferens, Bombyx mori and Parnara guttata. In contrast, the venom from N. vitripennis showed a narrower range of targeted insects. It appeared to have highly adverse effects on the spreading and viability of plasmatocytes and granular cells only from the natural hosts, M. domestica and S. peregrina, little toxicity to cells from P. rapae and P. xuthus, and no effect on any of the other insects tested. Pteromalus puparum venom also apparently presented a high ability to block the spreading of Tn-5B1-4 cells derived from Trichoplusia ni, and high cytotoxicity to the cells and Ha cells derived from Helicoverpa armigera. Nasonia vitripennis venom, however, only had a marked lethal effect to Ha cells. In addition, the possibility that the host range of a defined parasitoid could be assessed using our method of treating hemocytes from candidate insects with venom in vitro, and the potential of our venoms tested in the development of bio-insecticides, insect-resistant transgenic plants, are discussed.
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Energy Technology Data Exchange (ETDEWEB)
Preidel, V., E-mail: veit.preidel@helmholtz-berlin.de; Amkreutz, D.; Haschke, J.; Wollgarten, M.; Rech, B.; Becker, C. [Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Division Renewable Energy, Kekuléstr. 5, 12489 Berlin (Germany)
2015-06-14
Liquid phase crystallized Si thin-film solar cells on nanoimprint textured glass substrates exhibiting two characteristic, but distinct different surface structures are presented. The impact of the substrate texture on light absorption, the structural Si material properties, and the resulting solar cell performance is analyzed. A pronounced periodic substrate texture with a vertical feature size of about 1 μm enables excellent light scattering and light trapping. However, it also gives rise to an enhanced Si crystal defect formation deteriorating the solar cell performance. In contrast, a random pattern with a low surface roughness of 45 nm allows for the growth of Si thin films being comparable to Si layers on planar reference substrates. Amorphous Si/crystalline Si heterojunction solar cells fabricated on the low-roughness texture exhibit a maximum open circuit voltage of 616 mV and internal quantum efficiency peak values exceeding 90%, resulting in an efficiency potential of 13.2%. This demonstrates that high quality crystalline Si thin films can be realized on nanoimprint patterned glass substrates by liquid phase crystallization inspiring the implementation of tailor-made nanophotonic light harvesting concepts into future liquid phase crystallized Si thin film solar cells on glass.
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A diamond-anvil high-pressure cell for X-ray diffraction on a single crystal
International Nuclear Information System (INIS)
Malinowski, M.
1987-01-01
A new diamond-anvil high-pressure cell is described which can be used in single-crystal X-ray diffraction instruments to collect X-ray intensity data from single-crystal samples up to hydrostatic pressures of about 10 GPa. A unique design allows two types of diffraction geometry to be applied in single-crystal high-pressure diffraction experiments. More than 85% of the Ewald sphere is accessible, and a continuous range of 2θ values is available from 0 up to about 160 0 . Pressure may be calibrated by the ruby fluorescence technique or by the use of an internal X-ray-standard single crystal. The design of our diamond-anvil cell would allow, with little or no modification, operation at high and low temperatures, optical studies and powder diffractometer work. (orig.)
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Crystal growth within a phase change memory cell.
Sebastian, Abu; Le Gallo, Manuel; Krebs, Daniel
2014-07-07
In spite of the prominent role played by phase change materials in information technology, a detailed understanding of the central property of such materials, namely the phase change mechanism, is still lacking mostly because of difficulties associated with experimental measurements. Here, we measure the crystal growth velocity of a phase change material at both the nanometre length and the nanosecond timescale using phase-change memory cells. The material is studied in the technologically relevant melt-quenched phase and directly in the environment in which the phase change material is going to be used in the application. We present a consistent description of the temperature dependence of the crystal growth velocity in the glass and the super-cooled liquid up to the melting temperature.
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Poberezhskiy, Ilya Y.; Meras, Patrick; Chang, Daniel H.; Spiers, Gary D.
2007-01-01
This slide presentation reviews a method for refilling and connectorization of hollow core photonic crystal fiber gas reference cells. Thees hollow-core photonic crystal fiber allow optical propagation in air or vacuum and are for use as gas reference cell is proposed and demonstrated. It relies on torch-sealing a quartz filling tube connected to a mechanical splice between regular and hollow-core fibers.
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Temperature-Frequency Converter Using a Liquid Crystal Cell as a Sensing Element
Directory of Open Access Journals (Sweden)
José Isidro Santos
2012-03-01
Full Text Available A new temperature-frequency converter based on the variation of the dielectric permittivity of the Liquid Crystal (LC material with temperature has been demonstrated. Unlike other temperature sensors based on liquid crystal processing optical signals for determining the temperature, this work presents a system that is able to sense temperature by using only electrical signals. The variation of the dielectric permittivity with temperature is used to modify the capacitance of a plain capacitor using a LC material as non-ideal dielectric. An electric oscillator with an output frequency depending on variable capacitance made of a twisted-nematic (TN liquid crystal (LC cell has been built. The output frequency is related to the temperature of LC cell through the equations associated to the oscillator circuit. The experimental results show excellent temperature sensitivity, with a variation of 0.40% of the initial frequency per degree Celsius in the temperature range from −6 °C to 110 °C.
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Electro-optical characteristics of a liquid crystal cell with graphene electrodes
Directory of Open Access Journals (Sweden)
Nune H. Hakobyan
2017-12-01
Full Text Available In liquid crystal devices (LCDs the indium tin oxide (ITO films are traditionally used as transparent and conductive electrodes. However, today, due to the development of multichannel optical communication, the need for flexible LCDs and multilayer structures has grown. For this application ITO films cannot be used in principle. For this problem, graphene (an ultrathin material with unique properties, e.g., high optical transparency, chemical inertness, excellent conductivity is an excellent candidate. In this work, the electro-optical and dynamic characteristics of a liquid crystal (LC cell with graphene and ITO transparent conducting layers are investigated. To insure uniform thickness of the LC layer, as well as the same orientation boundary conditions, a hybrid LC cell containing graphene and ITO conductive layers has been prepared. The characteristics of LC cells with both types of conducting layers were found to be similar, indicating that graphene can be successfully used as a transparent conductive layer in LC devices.
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Energy Technology Data Exchange (ETDEWEB)
Zhang, Zheng-Rong [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Tang, Xiao-Bin, E-mail: tangxiaobin@nuaa.edu.cn [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Jiangsu Key Laboratory of Material and Technology for Energy Conversion, Nanjing 211106 (China); Liu, Yun-Peng [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China); Jiangsu Key Laboratory of Material and Technology for Energy Conversion, Nanjing 211106 (China); Xu, Zhi-Heng; Yuan, Zi-Cheng; Liu, Kai; Chen, Wang [Department of Nuclear Science and Engineering, Nanjing University of Aeronautics and Astronautics, 29 General Road, Jiangning District, Nanjing 211106 (China)
2017-05-01
Highlights: • A new gamma/GaAs multi-level structure radiovoltaic microbattery is proposed. • The properties of the new GaAs/YSO radiovoltaic cell was discussed. • The cell with Y{sub 2}SiO{sub 5} crystal can provide higher power and current output. • The irradiation resistance of Y{sub 2}SiO{sub 5} crystal under X-ray excitation was studied. - Abstract: The design of a new gamma/GaAs multi-level structure radiovoltaic microbattery enhanced by an Y{sub 2}SiO{sub 5} (YSO) crystal is proposed. By introducing the YSO crystal in the GaAs radiovoltaic cell, the output power from the cell was significantly improved. We focus on the enhancement mechanisms of performance output in one level of a multi-level structure. The radioluminescence spectra of the YSO crystal revealed its fluorescence in the wavelength range of approximately 300–700 nm. Light at the exact wavelength would normally be totally absorbed by the GaAs photovoltaic material. The radiovoltaic cells were tested using an X-ray tube to simulate the gamma rays emitted by a gamma-radioactive source. Experimental investigation showed that the YSO crystal can increase the cell output power. The output power of the new GaAs/YSO radiovoltaic cell was enhanced by more than four times compared to that of the conventional GaAs radiovoltaic cell. In addition, considering the importance of the YSO crystal in the new GaAs/YSO radiovoltaic cell, the irradiation resistance of the YSO crystal under X-ray excitation was also analysed.
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Banavoth, Murali
2016-12-14
Hybrid organic-inorganic perovskite crystals have recently become one of the most important classes of photoactive materials in the solar cell and optoelectronic communities. Albeit improvements have focused on state-of-the-art technology including various fabrication methods, device architectures, and surface passivation, progress is yet to be made in understanding the actual operational temperature on the electronic properties and the device performances. Therefore, the substantial effect of temperature on the optoelectronic properties, charge separation, charge recombination dynamics, and photoconversion efficiency are explored. The results clearly demonstrated a significant enhancement in the carrier mobility, photocurrent, charge carrier lifetime, and solar cell performance in the 60 ± 5 °C temperature range. In this temperature range, perovskite crystal exhibits a highly symmetrical relaxed cubic structure with well-aligned domains that are perpendicular to a principal axis, thereby remarkably improving the device operation. This finding provides a new key variable component and paves the way toward using perovskite crystals in highly efficient photovoltaic cells.
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Choe, Jung-Yoon; Park, Ki-Yeun; Kim, Seong-Kyu
2015-01-01
The aim of this study is to clarify the effect of oxidative stress on monosodium urate (MSU)-mediated apoptosis of renal cells. Quantitative real-time polymerase chain reaction and immunoblotting for Bcl-2, caspase-9, caspase-3, iNOS, cyclooxygenase-2 (COX-2), interleukin-1β (IL-1β), IL-18, TNF receptor-associated factor-6 (TRAF-6), and mitogen-activated protein kinases were performed on human embryonic kidney 293 (HEK293) cells, which were stimulated by MSU crystals. Fluorescence-activated cell sorting was performed using annexin V for assessment of apoptosis. Reactive oxygen species (ROS) were measured. IL-1β siRNA was used for blocking IL-1β expression. MSU crystals promoted ROS, iNOS, and COX-2 expression and also increased TRAF-6 and IL-1β expression in HEK293 cells, which was inhibited by an antioxidant ascorbic acid. Caspase-dependent renal cell apoptosis was induced through attenuation of Bcl-2 and enhanced caspase-3 and caspase-9 expression by MSU crystals, which was significantly reversed by ascorbic acid and transfection of IL-1β siRNA to HEK293 cells. Ascorbic acid inhibited phosphorylation of extracellular signal-regulated kinase and Jun N-terminal protein kinase stimulated by MSU crystals. ROS accumulation and iNOS and COX-2 mRNA expression by MSU crystals was also suppressed by transfection with IL-1β siRNA. Oxidative stress generated by MSU crystals promotes renal apoptosis through the mitochondrial caspase-dependent apoptosis pathway.
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Thin Single Crystal Silicon Solar Cells on Ceramic Substrates: November 2009 - November 2010
Energy Technology Data Exchange (ETDEWEB)
Kumar, A.; Ravi, K. V.
2011-06-01
In this program we have been developing a technology for fabricating thin (< 50 micrometres) single crystal silicon wafers on foreign substrates. We reverse the conventional approach of depositing or forming silicon on foreign substrates by depositing or forming thick (200 to 400 micrometres) ceramic materials on high quality single crystal silicon films ~ 50 micrometres thick. Our key innovation is the fabrication of thin, refractory, and self-adhering 'handling layers or substrates' on thin epitaxial silicon films in-situ, from powder precursors obtained from low cost raw materials. This 'handling layer' has sufficient strength for device and module processing and fabrication. Successful production of full sized (125 mm X 125 mm) silicon on ceramic wafers with 50 micrometre thick single crystal silicon has been achieved and device process flow developed for solar cell fabrication. Impurity transfer from the ceramic to the silicon during the elevated temperature consolidation process has resulted in very low minority carrier lifetimes and resulting low cell efficiencies. Detailed analysis of minority carrier lifetime, metals analysis and device characterization have been done. A full sized solar cell efficiency of 8% has been demonstrated.
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A high-pressure cell for neutron crystal spectrometry
International Nuclear Information System (INIS)
Buras, B.; Kofoed, W.; Lebech, B.; Baeckstroem, G.
1977-04-01
Three fixed-scattering-angle methods for neutron scattering powder measurements using double- and triple-axis crystal spectrometers were tested: (1) the analyzer-scan method (AS), (2) the monochromator-scan method (MS), and (3) the monochromator-analyzer scan method (MAS). A high-pressure cell, primarily for use in powder diffraction measurements, with scattering angles of 30 0 , 60 0 , 90 0 and 120 0 and a sample volume of about 0.8 cm 3 was constructed and used in conjunction with the MS and MAS methods. At room temperature, this cell makes it possible to make measurements at pressures up to about 40 kbar and up to about 30 kbar at 300 0 C. The report includes a description of the diffraction methods and of the high-pressure cell. A few examples of experimental results are also given. (Auth.)
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Nearest-cell: a fast and easy tool for locating crystal matches in the PDB
International Nuclear Information System (INIS)
Ramraj, V.; Evans, G.; Diprose, J. M.; Esnouf, R. M.
2012-01-01
A fast and easy tool to locate unit-cell matches in the PDB is described. When embarking upon X-ray diffraction data collection from a potentially novel macromolecular crystal form, it can be useful to ascertain whether the measured data reflect a crystal form that is already recorded in the Protein Data Bank and, if so, whether it is part of a large family of related structures. Providing such information to crystallographers conveniently and quickly, as soon as the first images have been recorded and the unit cell characterized at an X-ray beamline, has the potential to save time and effort as well as pointing to possible search models for molecular replacement. Given an input unit cell, and optionally a space group, Nearest-cell rapidly scans the Protein Data Bank and retrieves near-matches
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Crystal growth for high-efficiency silicon solar cells workshop: Summary
Dumas, K. A.
1985-01-01
The state of the art in the growth of silicon crystals for high-efficiency solar cells are reviewed, sheet requirements are defined, and furture areas of research are identified. Silicon sheet material characteristics that limit cell efficiencies and yields were described as well as the criteria for the ideal sheet-growth method. The device engineers wish list to the material engineer included: silicon sheet with long minority carrier lifetime that is uniform throughout the sheet, and which doesn't change during processing; and sheet material that stays flat throughout device processing, has uniform good mechanical strength, and is low cost. Impurities in silicon solar cells depreciate cell performance by reducing diffusion length and degrading junctions. The impurity behavior, degradation mechanisms, and variations in degradation threshold with diffusion length for silicon solar cells were described.
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Additive to regulate the perovskite crystal film growth in planar heterojunction solar cells
International Nuclear Information System (INIS)
Song, Xin; Sun, Po; Chen, Zhi-Kuan; Wang, Weiwei; Ma, Wanli
2015-01-01
We reported a planar heterojunction perovskite solar cell fabricated from MAPbI 3−x Cl x perovskite precursor solution containing 1-chloronaphthalene (CN) additive. The MAPbI 3−x Cl x perovskite films have been characterized by UV-vis, SEM, XRD, and steady-state photoluminescence (PL). UV-vis absorption spectra measurement shows that the absorbance of the film with CN additive is significantly higher than the pristine film and the absorption peak is red shift by 30 nm, indicating the perovskite film with additive possessing better crystal structures. In-situ XRD study of the perovskite films with additive demonstrated intense diffraction peaks from MAPbI 3−x Cl x perovskite crystal planes of (110), (220), and (330). SEM images of the films with additive indicated the films were more smooth and homogenous with fewer pin-holes and voids and better surface coverage than the pristine films. These results implied that the additive CN is beneficial to regulate the crystallization transformation kinetics of perovskite to form high quality crystal films. The steady-state PL measurement suggested that the films with additive contained less charge traps and defects. The planar heterojunction perovskite solar cells fabricated from perovskite precursor solution containing CN additive demonstrated 30% enhancement in performance compared to the devices with pristine films. The improvement in device efficiency is mainly attributed to the good crystal structures, more homogenous film morphology, and also fewer trap centers and defects in the films with the additive
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Energy Technology Data Exchange (ETDEWEB)
Höger, Ingmar, E-mail: ingmar.hoeger@ipht-jena.de; Gawlik, Annett; Brückner, Uwe; Andrä, Gudrun [Leibniz-Institut für Photonische Technologien, PF 100239, 07702 Jena (Germany); Himmerlich, Marcel; Krischok, Stefan [Institut für Mikro-und Nanotechnologien, Technische Universität Ilmenau, PF 100565, 98684 Ilmenau (Germany)
2016-01-28
The intermediate layer (IL) between glass substrate and silicon plays a significant role in the optimization of multicrystalline liquid phase crystallized silicon thin film solar cells on glass. This study deals with the influence of the IL on the surface condition and the required chemical surface treatment of the crystallized silicon (mc-Si), which is of particular interest for a-Si:H heterojunction thin film solar cells. Two types of IL were investigated: sputtered silicon nitride (SiN) and a layer stack consisting of silicon nitride and silicon oxide (SiN/SiO). X-ray photoelectron spectroscopy measurements revealed the formation of silicon oxynitride (SiO{sub x}N{sub y}) or silicon oxide (SiO{sub 2}) layers at the surface of the mc-Si after liquid phase crystallization on SiN or SiN/SiO, respectively. We propose that SiO{sub x}N{sub y} formation is governed by dissolving nitrogen from the SiN layer in the silicon melt, which segregates at the crystallization front during crystallization. This process is successfully hindered, when additional SiO layers are introduced into the IL. In order to achieve solar cell open circuit voltages above 500 mV, a removal of the formed SiO{sub x}N{sub y} top layer is required using sophisticated cleaning of the crystallized silicon prior to a-Si:H deposition. However, solar cells crystallized on SiN/SiO yield high open circuit voltage even when a simple wet chemical surface treatment is applied. The implementation of SiN/SiO intermediate layers facilitates the production of mesa type solar cells with open circuit voltages above 600 mV and a power conversion efficiency of 10%.
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Abdelsamie, Maged; Treat, Neil D.; Zhao, Kui; McDowell, Caitlin; Burgers, Mark A.; Li, Ruipeng; Smilgies, Detlef M.; Stingelin, Natalie; Bazan, Guillermo C.; Amassian, Aram
2015-01-01
processing to promote crystallization, phase separation, and efficient light harvesting. A donor material (X2) that crystallizes directly from solution yields additive-free solar cells with an efficiency of 7.6%. © 2015 WILEY-VCH Verlag GmbH & Co. KGa
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Energy Technology Data Exchange (ETDEWEB)
Fischer, Andreas; Hagfeldt, Anders; Boschloo, Gerrit; Kloo, Lars; Gorlov, Mikhail [Center of Molecular Devices, Department of Chemistry, Royal Institute of Technology (KTH), S-100 44 Stockholm (Sweden); Pettersson, Henrik [IVF Industrial Research and Development Corporation, S-431 53 Moelndal (Sweden)
2007-07-23
Nitrogen heterocyclic compounds, such as N-methylbenzimidazole (MBI), are commonly used as additives to electrolytes for dye-sensitized solar cells (DSCs), but the chemical transformation of additives in electrolyte solutions remains poorly understood. Solid crystalline compound (MBI){sub 6}(MBI-H{sup +}){sub 2}(I{sup -})(I{sub 3}{sup -}) (1) was isolated from different electrolytes for DSCs containing MBI as additive. The crystal structure of 1 was determined by single-crystal X-ray diffraction. In the crystal structure, 1 contains neutral and protonated MBI fragments; iodide and triiodide anions form infinite chains along the crystallographic a-axis. The role of the solvent and additives in the crystallization process in electrolytes is discussed. (author)
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Directory of Open Access Journals (Sweden)
Dongjia Cao
2017-12-01
Full Text Available Phase-field simulation serves as an effective tool for quantitative characterization of microstructure evolution in single-crystal Ni-based superalloys during solidification nowadays. The classic unit cell is either limited to γ dendrites along crystal orientation or too ideal to cover complex morphologies for γ dendrites. An attempt to design the unit cell for two-dimensional (2-D phase-field simulations of microstructure evolution in single-crystal Ni-based superalloys during solidification was thus performed by using the MICRESS (MICRostructure Evolution Simulation Software in the framework of the multi-phase-field (MPF model, and demonstrated in a commercial TMS-113 superalloy. The coupling to CALPHAD (CALculation of PHAse Diagram thermodynamic database was realized via the TQ interface and the experimental diffusion coefficients were utilized in the simulation. Firstly, the classic unit cell with a single γ dendrite along crystal orientation was employed for the phase-field simulation in order to reproduce the microstructure features. Then, such simple unit cell was extended into the cases with two other different crystal orientations, i.e., and . Thirdly, for crystal orientations, the effect of γ dendritic orientations and unit cell sizes on microstructure and microsegregation was comprehensively studied, from which a new unit cell with multiple γ dendrites was proposed. The phase-field simulation with the newly proposed unit cell was further performed in the TMS-113 superalloy, and the microstructure features including the competitive growth of γ dendrites, microsegregation of different solutes and distribution of γ′ grains, can be nicely reproduced.
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Crystallization Pathways in Biomineralization
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.
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Choi, Tae-Hoon; Oh, Seung-Won; Park, Young-Jin; Choi, Yeongyu; Yoon, Tae-Hoon
2016-01-01
We report a simple method for reducing the response time of a fringe-field switching liquid crystal cell by using two-dimensional confinement of the liquid crystals. Through both numerical calculations and experiments, we show that the switching speed can be increased by several fold in a fringe-field switching cell by simply using a rubbing angle of zero, which causes virtual walls to be built when an electric field is applied between the interdigitated electrodes and the common electrode, w...
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Abdelsamie, Maged
2015-09-29
The ease with which small-molecule donors crystallize during solution processing is directly linked to the need for solvent additives. Donor molecules that get trapped in disordered (H1) or liquid crystalline (T1) mesophases require additive processing to promote crystallization, phase separation, and efficient light harvesting. A donor material (X2) that crystallizes directly from solution yields additive-free solar cells with an efficiency of 7.6%. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Directory of Open Access Journals (Sweden)
Ankle Madhuri
2007-01-01
Full Text Available Mitosis of cells gives rise to tissue integrity. Defects during mitosis bring about abnormalities. Excessive proliferation of cells due to increased mitosis is one such outcome, which is the hallmark in precancer and cancer. The localization of proliferating cells or their precursors may not be obvious and easy. Establishing an easy way to distinguish these mitotic cells will help in grading and understanding their biological potential. Although immunohistochemistry is an advanced method in use, the cost and time factor makes it less feasible for many laboratories. Selective histochemical stains like toluidine blue, giemsa and crystal violet have been used in tissues including the developing brain, neural tissue and skin. Aim of the study: 1To compare the staining of mitotic cells in haematoxylin and eosin with that in crystal violet. 2To compare the number of mitotic figures present in normal oral mucosa, epithelial dysplasia and oral squamous cell carcinoma in crystal violet-stained sections with that in H and E-stained sections. Materials and Methods: Ten tissues of normal oral mucosa and 15 tissues each of oral epithelial dysplasia seen in tobacco-associated leukoplakia and squamous cell carcinoma were studied to evaluate the selectivity of 1% crystal violet for mitotic figures. The staining was compared with standard H and E staining. Statistical analysis was done using Man-Whitney U test. Results: A statistically significant increase in the mean mitotic count was observed in crystal violet-stained sections of epithelial dysplasia as compared to the H and E-stained sections ( p = 0.0327. A similar increase in the mitotic counts was noted in crystal violet-stained sections of oral squamous cell carcinoma as compared to the H and E-stained sections.( p = 0.0443. No significant difference was found in the mitotic counts determined in dysplasia or carcinoma by either the crystal violet ( p = 0.4429 or the H and E-staining techniques ( p = 0
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Directory of Open Access Journals (Sweden)
Safaa Hassan
2017-12-01
Full Text Available Light-trapping enhancement in newly discovered graded photonic super-crystals (GPSCs with dual periodicity and dual basis is herein explored for the first time. Broadband, wide-incident-angle, and polarization-independent light-trapping enhancement was achieved in silicon solar cells patterned with these GPSCs. These super-crystals were designed by multi-beam interference, rendering them flexible and efficient. The optical response of the patterned silicon solar cell retained Bloch-mode resonance; however, light absorption was greatly enhanced in broadband wavelengths due to the graded, complex unit super-cell nanostructures, leading to the overlap of Bloch-mode resonances. The broadband, wide-angle light coupling and trapping enhancement mechanism are understood to be due to the spatial variance of the index of refraction, and this spatial variance is due to the varying filling fraction, the dual basis, and the varying lattice constants in different directions.
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Simple down conversion nano-crystal coatings for enhancing Silicon-solar cells efficiency
Directory of Open Access Journals (Sweden)
Gur Mittelman
2016-09-01
Full Text Available Utilizing self-assembled nano-structured coatings on top of existing solar cells has thepotential to increase the total quantum efficiency of the cell using a simple and cheap process. In ourwork we have exploited the controlled absorption of nano-crystal with different band gaps to realizedown conversion artificial antennas that self-assembled on the device surface. The UV sun light isconverted to the visible light enhancing the solar cell performance in two complementary routes; a.protecting the solar cell and coatings from the UV illumination and therefore reducing the UVradiation damage. b. enhancing the total external quantum efficiency of the cell by one percent. Thisis achieved using a simple cheap process that can be adjusted to many different solar cells.
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Distributed hydrophone array based on liquid crystal cell
Brodzeli, Zourab; Ladouceur, Francois; Silvestri, Leonardo; Michie, Andrew; Chigrinov, Vladimir; Guo, Grace Qi; Pozhidaev, Eugene P.; Kiselev, Alexei D.
2012-02-01
We describe a fibre optic hydrophone array system that could be used for underwater acoustic surveillance applications e.g. military, counter terrorist and customs authorities in protecting ports and harbors, offshore production facilities or coastal approaches as well as various marine applications. In this paper we propose a new approach to underwater sonar systems using voltage-controlled Liquid Crystals (LC) and simple multiplexing method. The proposed method permits measurements of sound under water at multiple points along an optical fibre using low cost components (LC cells), standard single mode fibre, without complex interferometric measurement techniques, electronics or demodulation software.
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Crystallization and crystal manipulation of a steric chaperone in complex with its lipase substrate
International Nuclear Information System (INIS)
Pauwels, Kris; Loris, Remy; Vandenbussche, Guy; Ruysschaert, Jean-Marie; Wyns, Lode; Van Gelder, Patrick
2005-01-01
Crystals of the lipase of B. glumae in complex with its specific foldase were obtained in two forms. Crystallization, crystal manipulation and preliminary X-ray diffraction analysis are described. Bacterial lipases that are secreted via the type II secretion pathway require a lipase-specific foldase in order to obtain their native and biologically active conformation in the periplasmic space. The lipase–foldase complex from Burkholderia glumae (319 and 333 residues, respectively) was crystallized in two crystal forms. One crystal form belongs to space group P3 1 21 (P3 2 21), with unit-cell parameters a = b = 122.3, c = 98.2 Å. A procedure is presented which improved the diffraction of these crystals from ∼5 to 2.95 Å. For the second crystal form, which belonged to space group C2 with unit-cell parameters a = 183.0, b = 75.7, c = 116.6 Å, X-ray data were collected to 1.85 Å
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Energy Technology Data Exchange (ETDEWEB)
Ryningen, Birgit
2008-07-01
Included in this thesis are five publications and one report. The common theme is characterisation of directionally solidified multicrystalline silicon for solar cells. Material characterisation of solar cell silicon is naturally closely linked to both the casting process and to the solar cell processing: Many of the material properties are determined by the casting process, and the solar cell processing will to some extend determine which properties will influence the solar cell performance. Solar grade silicon (SoG-Si) made by metallurgical refining route and supplied by Elkem Solar was directionally solidified and subsequently characterised, and a simple solar cell process was applied. Except from some metallic co-precipitates in the top of the ingot, no abnormalities were found, and it is suggested that within the limits of the tests performed in this thesis, the casting and the solar cell processing, rather than the assumed higher impurity content, was the limiting factor. It is suggested in this thesis that the main quality problem in multicrystalline silicon wafers is the existence of dislocation clusters covering large wafer areas. The clusters will reduce the effect of gettering and even if gettering could be performed successfully, the clusters will still reduce the minority carrier mobility and hence the solar cell performance. It has further been pointed out that ingots solidified under seemingly equal conditions might have a pronounced difference in minority carrier lifetime. Ingots with low minority carrier lifetime have high dislocation densities. The ingots with the substantially higher lifetime seem all to be dominated by twins. It is also found a link between a higher undercooling and the ingots dominated by twins. It is suggested that the two types of ingots are subject to different nucleation and crystal growth mechanisms: For the ingots dominated by dislocations, which are over represented, the crystal growth is randomly nucleated at the
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Large three-dimensional photonic crystals based on monocrystalline liquid crystal blue phases.
Chen, Chun-Wei; Hou, Chien-Tsung; Li, Cheng-Chang; Jau, Hung-Chang; Wang, Chun-Ta; Hong, Ching-Lang; Guo, Duan-Yi; Wang, Cheng-Yu; Chiang, Sheng-Ping; Bunning, Timothy J; Khoo, Iam-Choon; Lin, Tsung-Hsien
2017-09-28
Although there have been intense efforts to fabricate large three-dimensional photonic crystals in order to realize their full potential, the technologies developed so far are still beset with various material processing and cost issues. Conventional top-down fabrications are costly and time-consuming, whereas natural self-assembly and bottom-up fabrications often result in high defect density and limited dimensions. Here we report the fabrication of extraordinarily large monocrystalline photonic crystals by controlling the self-assembly processes which occur in unique phases of liquid crystals that exhibit three-dimensional photonic-crystalline properties called liquid-crystal blue phases. In particular, we have developed a gradient-temperature technique that enables three-dimensional photonic crystals to grow to lateral dimensions of ~1 cm (~30,000 of unit cells) and thickness of ~100 μm (~ 300 unit cells). These giant single crystals exhibit extraordinarily sharp photonic bandgaps with high reflectivity, long-range periodicity in all dimensions and well-defined lattice orientation.Conventional fabrication approaches for large-size three-dimensional photonic crystals are problematic. By properly controlling the self-assembly processes, the authors report the fabrication of monocrystalline blue phase liquid crystals that exhibit three-dimensional photonic-crystalline properties.
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Toward protic ionic liquid and organic ionic plastic crystal electrolytes for fuel cells
International Nuclear Information System (INIS)
Rana, Usman Ali; Forsyth, Maria; MacFarlane, Douglas R.; Pringle, Jennifer M.
2012-01-01
Highlights: ► Polymer electrolyte membrane fuel cells that can operate above 120 °C, without humidification, would be much more commercially viable. ► Protic ionic liquids and organic ionic plastic crystals are showing increasing promise as anhydrous proton conductors in fuel cells. ► Here we review the recent progress in these two areas. - Abstract: There is increasing demand for the development of anhydrous proton conducting electrolytes, most notably to allow the development of fuel cells that can operate at temperatures above 120 °C, without the need for constant and controlled humidification. The emerging field of protic ionic liquids (PILs) represents a promising new direction for this research and the development of these materials has made significant progress in recent years. In a related but as yet little-explored avenue, proton conducting organic ionic plastic crystals offer the potential advantage of providing a solid state matrix for anhydrous proton conductivity. Here we discuss the recent progress in these areas and identify the key challenges for future research.
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Feasibility study on the use of liquid crystal/dye cells for digital signage
Itaya, Shunsuke; Azumi, Nada Dianah B. M.; Ohta, Masamichi; Ozawa, Shintaro; Fujieda, Ichiro
2016-03-01
Elongated dye molecules orient themselves with surrounding liquid crystal molecules. We propose to incorporate such a guest-host cell in a screen of a projection display. This configuration might be applied for digital signage to be installed on building walls. Dual-mode operation is realized by the bias applied to the cell. In display-mode, the dye molecules are oriented in parallel to the substrate of the cell. When excited by ultra-violet light, photoluminescence (PL) is generated. Because it is mostly perpendicular to the long axis of the molecule, it exits the cell efficiently. In powerharvesting mode, they are oriented vertically. The PL generated by ambient light is directed to edge surfaces where solar cells are mounted. In experiment, we fabricated a cell with commonly-available materials (coumarin 6 and a nematic liquid crystal). Anti-parallel alignment condition was adopted. We recorded PL spectra from the cell for the two excitation conditions. First, the center of the cell was irradiated by a 1.69mW blue laser beam. Second, the whole cell was uniformly exposed to the light from a fluorescent lamp at illuminance of 800lx. From the measured spectra for these cases, the contrast of luminance is calculated to be 3.2 ×105 . This factor is improved to 5 7.5×105 by attaching a polarizer sheet on the cell surface. The optical power reaching its edge surfaces is measured and it roughly agrees with the prediction by a simple model neglecting self-absorption. Development of phosphor materials with a large Stokes shift is desired to boost performance of the proposed system.
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Luealamai, Sutha; Panijpan, Bhinyo
2012-01-01
The authors have developed a computer-based learning module on the unit cell of various types of crystal. The module has two components: the virtual unit cell (VUC) part and the subsequent unit cell hunter part. The VUC is a virtual reality simulation for students to actively arrive at the unit cell from exploring, from a broad view, the crystal…
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Banavoth, Murali; Yengel, Emre; Peng, Wei; Chen, Zhijie; Alias, Mohd Sharizal; Alarousu, Erkki; Ooi, Boon S.; Burlakov, Victor; Goriely, Alain; Eddaoudi, Mohamed; Bakr, Osman; Mohammed, Omar F.
2016-01-01
Hybrid organic-inorganic perovskite crystals have recently become one of the most important classes of photoactive materials in the solar cell and optoelectronic communities. Albeit improvements have focused on state-of-the-art technology including
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Energy Technology Data Exchange (ETDEWEB)
Marland, Zara; Beddoe, Travis; Zaker-Tabrizi, Leyla [The Protein Crystallography Unit, Department of Biochemistry and Molecular Biology, School of Biomedical Sciences, Monash University, Clayton, Victoria 3800 (Australia); ARC Centre of Excellence in Structural and Functional Microbial Genomics, Monash University, Clayton, Victoria 3800 (Australia); Coppel, Ross L.; Crellin, Paul K., E-mail: paul.crellin@med.monash.edu.au [ARC Centre of Excellence in Structural and Functional Microbial Genomics, Monash University, Clayton, Victoria 3800 (Australia); Department of Microbiology, School of Biomedical Sciences, Monash University, Clayton, Victoria 3800 (Australia); Rossjohn, Jamie, E-mail: paul.crellin@med.monash.edu.au [The Protein Crystallography Unit, Department of Biochemistry and Molecular Biology, School of Biomedical Sciences, Monash University, Clayton, Victoria 3800 (Australia); ARC Centre of Excellence in Structural and Functional Microbial Genomics, Monash University, Clayton, Victoria 3800 (Australia)
2005-12-01
A lipoprotein implicated in mycobacterial cell-wall biosynthesis, LpqW, was expressed in E. coli. Crystals were obtained that diffracted to 2.4 Å resolution. Mycobacterium tuberculosis is a renewed cause of devastation in the developing world. Critical to the success of this re-emerging pathogen is its unusual waxy cell wall, which is rich in rare components including lipoarabinomannan (LAM) and its precursors, the phosphatidylinositol mannosides (PIMs). Balanced synthesis of these related glycolipids is intrinsic to both cell-wall integrity and virulence in M. tuberculosis and presents a promising, albeit poorly defined, therapeutic target. Here, the expression, purification and crystallization of an essential 600-amino-acid lipoprotein, LpqW, implicated in this process are reported. Crystals of LpqW were grown using 20–24%(w/v) PEG 4000, 8–16%(v/v) 2-propanol, 100 mM sodium citrate pH 5.5 and 10 mM DTT. A complete data set was collected at 2.4 Å using synchrotron radiation on a crystal belonging to space group C222, with unit-cell parameters a = 188.57, b = 312.04, c = 104.15 Å. Structure determination is under way.
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International Nuclear Information System (INIS)
Marland, Zara; Beddoe, Travis; Zaker-Tabrizi, Leyla; Coppel, Ross L.; Crellin, Paul K.; Rossjohn, Jamie
2005-01-01
A lipoprotein implicated in mycobacterial cell-wall biosynthesis, LpqW, was expressed in E. coli. Crystals were obtained that diffracted to 2.4 Å resolution. Mycobacterium tuberculosis is a renewed cause of devastation in the developing world. Critical to the success of this re-emerging pathogen is its unusual waxy cell wall, which is rich in rare components including lipoarabinomannan (LAM) and its precursors, the phosphatidylinositol mannosides (PIMs). Balanced synthesis of these related glycolipids is intrinsic to both cell-wall integrity and virulence in M. tuberculosis and presents a promising, albeit poorly defined, therapeutic target. Here, the expression, purification and crystallization of an essential 600-amino-acid lipoprotein, LpqW, implicated in this process are reported. Crystals of LpqW were grown using 20–24%(w/v) PEG 4000, 8–16%(v/v) 2-propanol, 100 mM sodium citrate pH 5.5 and 10 mM DTT. A complete data set was collected at 2.4 Å using synchrotron radiation on a crystal belonging to space group C222, with unit-cell parameters a = 188.57, b = 312.04, c = 104.15 Å. Structure determination is under way
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Chitosan-Assisted Crystallization and Film Forming of Perovskite Crystals through Biomineralization.
Yang, Yang; Sun, Chen; Yip, Hin-Lap; Sun, Runcang; Wang, Xiaohui
2016-03-18
Biomimetic mineralization is a powerful approach for the synthesis of advanced composite materials with hierarchical organization and controlled structure. Herein, chitosan was introduced into a perovskite precursor solution as a biopolymer additive to control the crystallization and to improve the morphology and film-forming properties of a perovskite film by way of biomineralization. The biopolymer additive was able to control the size and morphology of the perovskite crystals and helped to form smooth films. The mechanism of chitosan-mediated nucleation and growth of the perovskite crystals was explored. As a possible application, the chitosan-perovskite composite film was introduced into a planar heterojunction solar cell and increased power conversion efficiency relative to that observed for the pristine perovskite film was achieved. The biomimetic mineralization method proposed in this study provides an alternative way of preparing perovskite crystals with well-controlled morphology and properties and extends the applications of perovskite crystals in photoelectronic fields, including planar-heterojunction solar cells. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Directory of Open Access Journals (Sweden)
Pablo Docampo
2014-08-01
Full Text Available Perovskite solar cells are emerging as serious candidates for thin film photovoltaics with power conversion efficiencies already exceeding 16%. Devices based on a planar heterojunction architecture, where the MAPbI3 perovskite film is simply sandwiched between two charge selective extraction contacts, can be processed at low temperatures (<150 °C, making them particularly attractive for tandem and flexible applications. However, in this configuration, the perovskite crystals formed are more or less randomly oriented on the surface. Our results show that by increasing the conversion step temperature from room temperature to 60 °C, the perovskite crystal orientation on the substrate can be controlled. We find that films with a preferential orientation of the long axis of the tetragonal unit cell parallel to the substrate achieve the highest short circuit currents and correspondingly the highest photovoltaic performance.
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International Nuclear Information System (INIS)
Kang, Hyen-Wook; Ida, Kazumi; Yamamoto, Yuji; Muramatsu, Hiroshi
2008-01-01
For investigating the effects of chemical stimulation to cultured cells, we have developed a quartz crystal sensor system with a micro charge-coupled device (CCD) camera that enables microphotograph imaging simultaneously with quartz crystal measurement. Human hepatoma cell line (HepG2) cells were cultured on the quartz crystal through a collagen film. The electrode of the quartz crystal was made of indium tin oxide (ITO) transparent electrodes that enable to obtain a transparent mode photograph. Glutaraldehyde and trypsin were injected to the chamber of the cells, respectively. The response of the quartz crystal was monitored and microphotographs were recorded, and the resonance frequency and resonance resistance were analyzed with an F-R diagram that plotted the resonance frequency and resonance resistance. In the case of the glutaraldehyde injection, the cells responded in two steps that included the fast response of the cross-linking reaction and the successive internal change in the cells. In the case of the trypsin injection, the responses included two processes. In the first step, cell adhesion factors were cleaved and the cell structure became round, and in the next step, the cells were deposited on the quartz crystal surface and the surface of the cells was directly in contact with the quartz crystal surface
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Low-frequency spatial wave manipulation via phononic crystals with relaxed cell symmetry
International Nuclear Information System (INIS)
Celli, Paolo; Gonella, Stefano
2014-01-01
Phononic crystals enjoy unique wave manipulation capabilities enabled by their periodic topologies. On one hand, they feature frequency-dependent directivity, which allows directional propagation of selected modes even at low frequencies. However, the stellar nature of the propagation patterns and the inability to induce single-beam focusing represent significant limitations of this functionality. On the other hand, one can realize waveguides by defecting the periodic structure of a crystal operating in bandgap mode along some desired path. Waveguides of this type are only activated in the relatively high and narrow frequency bands corresponding to total bandgaps, which limits their potential technological applications. In this work, we introduce a class of phononic crystals with relaxed cell symmetry and we exploit symmetry relaxation of a population of auxiliary microstructural elements to achieve spatial manipulation of elastic waves at very low frequencies, in the range of existence of the acoustic modes. By this approach, we achieve focusing without modifying the default static properties of the medium and by invoking mechanisms that are well suited to envision adaptive configurations for semi-active wave control
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A review on solar cells from Si-single crystals to porous materials and quantum dots.
Badawy, Waheed A
2015-03-01
Solar energy conversion to electricity through photovoltaics or to useful fuel through photoelectrochemical cells was still a main task for research groups and developments sectors. In this article we are reviewing the development of the different generations of solar cells. The fabrication of solar cells has passed through a large number of improvement steps considering the technological and economic aspects. The first generation solar cells were based on Si wafers, mainly single crystals. Permanent researches on cost reduction and improved solar cell efficiency have led to the marketing of solar modules having 12-16% solar conversion efficiency. Application of polycrystalline Si and other forms of Si have reduced the cost but on the expense of the solar conversion efficiency. The second generation solar cells were based on thin film technology. Thin films of amorphous Si, CIS (copper-indium-selenide) and t-Si were employed. Solar conversion efficiencies of about 12% have been achieved with a remarkable cost reduction. The third generation solar cells are based on nano-crystals and nano-porous materials. An advanced photovoltaic cell, originally developed for satellites with solar conversion efficiency of 37.3%, based on concentration of the solar spectrum up to 400 suns was developed. It is based on extremely thin concentration cells. New sensitizer or semiconductor systems are necessary to broaden the photo-response in solar spectrum. Hybrids of solar and conventional devices may provide an interim benefit in seeking economically valuable devices. New quantum dot solar cells based on CdSe-TiO2 architecture have been developed.
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A review on solar cells from Si-single crystals to porous materials and quantum dots
Directory of Open Access Journals (Sweden)
Waheed A. Badawy
2015-03-01
Full Text Available Solar energy conversion to electricity through photovoltaics or to useful fuel through photoelectrochemical cells was still a main task for research groups and developments sectors. In this article we are reviewing the development of the different generations of solar cells. The fabrication of solar cells has passed through a large number of improvement steps considering the technological and economic aspects. The first generation solar cells were based on Si wafers, mainly single crystals. Permanent researches on cost reduction and improved solar cell efficiency have led to the marketing of solar modules having 12–16% solar conversion efficiency. Application of polycrystalline Si and other forms of Si have reduced the cost but on the expense of the solar conversion efficiency. The second generation solar cells were based on thin film technology. Thin films of amorphous Si, CIS (copper–indium–selenide and t-Si were employed. Solar conversion efficiencies of about 12% have been achieved with a remarkable cost reduction. The third generation solar cells are based on nano-crystals and nano-porous materials. An advanced photovoltaic cell, originally developed for satellites with solar conversion efficiency of 37.3%, based on concentration of the solar spectrum up to 400 suns was developed. It is based on extremely thin concentration cells. New sensitizer or semiconductor systems are necessary to broaden the photo-response in solar spectrum. Hybrids of solar and conventional devices may provide an interim benefit in seeking economically valuable devices. New quantum dot solar cells based on CdSe–TiO2 architecture have been developed.
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Yu, Lei; Gan, Xiuguo; Liu, Xukun; An, Ruihua
2017-11-01
Tight junction plays important roles in regulating paracellular transports and maintaining cell polarity. Calcium oxalate monohydrate (COM) crystals, the major crystalline composition of kidney stones, have been demonstrated to be able to cause tight junction disruption to accelerate renal cell injury. However, the cellular signaling involved in COM crystal-induced tight junction disruption remains largely to be investigated. In the present study, we proved that COM crystals induced tight junction disruption by activating ROS/Akt/p38 MAPK pathway. Treating Madin-Darby canine kidney (MDCK) cells with COM crystals induced a substantial increasing of ROS generation and activation of Akt that triggered subsequential activation of ASK1 and p38 mitogen-activated protein kinase (MAPK). Western blot revealed a significantly decreased expression of ZO-1 and occludin, two important structural proteins of tight junction. Besides, redistribution and dissociation of ZO-1 were observed by COM crystals treatment. Inhibition of ROS by N-acetyl-l-cysteine (NAC) attenuated the activation of Akt, ASK1, p38 MAPK, and down-regulation of ZO-1 and occludin. The redistribution and dissociation of ZO-1 were also alleviated by NAC treatment. These results indicated that ROS were involved in the regulation of tight junction disruption induced by COM crystals. In addition, the down-regulation of ZO-1 and occludin, the phosphorylation of ASK1 and p38 MAPK were also attenuated by MK-2206, an inhibitor of Akt kinase, implying Akt was involved in the disruption of tight junction upstream of p38 MAPK. Thus, these results suggested that ROS-Akt-p38 MAPK signaling pathway was activated in COM crystal-induced disruption of tight junction in MDCK cells.
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On dewetting of thin films due to crystallization (crystallization dewetting).
Habibi, Mehran; Rahimzadeh, Amin; Eslamian, Morteza
2016-03-01
Drying and crystallization of a thin liquid film of an ionic or a similar solution can cause dewetting in the resulting thin solid film. This paper aims at investigating this type of dewetting, herein termed "crystallization dewetting", using PbI2 dissolved in organic solvents as the model solution. PbI2 solid films are usually used in X-ray detection and lead halide perovskite solar cells. In this work, PbI2 films are fabricated using spin coating and the effect of major parameters influencing the crystallization dewetting, including the type of the solvent, solution concentration, drying temperature, spin speed, as well as imposed vibration on the substrate are studied on dewetting, surface profile and coverage, using confocal scanning laser microscopy. Simplified hydrodynamic governing equations of crystallization in thin films are presented and using a mathematical representation of the process, it is phenomenologically demonstrated that crystallization dewetting occurs due to the absorption and consumption of the solution surrounding a growing crystal. Among the results, it is found that a low spin speed (high thickness), a high solution concentration and a low drying temperature promote crystal growth, and therefore crystallization dewetting. It is also shown that imposed vibration on the substrate can affect the crystal size and crystallization dewetting.
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International Nuclear Information System (INIS)
Kulahin, Nikolaj; Kasper, Christina; Kristensen, Ole; Kastrup, Jette Sandholm; Berezin, Vladimir; Bock, Elisabeth; Gajhede, Michael
2005-01-01
Mouse L1 modules Ig I–IV and F3 I–III were crystallized. The crystals diffracted X-rays to 3.5 and 2.8 Å resolution, respectively. Four amino-terminal immunoglobulin (Ig) modules and three fibronectin type III (F3) modules of the mouse neural cell-adhesion molecule L1 have been expressed in Drosophila S2 cells. The Ig modules I–IV of L1 crystallized in a trigonal space group, with unit-cell parameters a = b = 239.6, c = 99.3 Å, and the crystals diffracted X-rays to a resolution of about 3.5 Å. The F3 modules I–III of L1 crystallized in a tetragonal space group, with unit-cell parameters a = b = 80.1, c = 131 Å, and the crystals diffracted X-rays to 2.8 Å resolution. This is a step towards the structure determination of the multimodular constructs of the neural cell-adhesion molecule L1 in order to understand the function of L1 on a structural basis
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Structural transitions in crystals of native aspartate carbamoyltransferase
International Nuclear Information System (INIS)
Gouaux, J.E.; Lipscomb, W.N.
1989-01-01
Screened precession x-ray photographs of crystals of native aspartate carbamoyltransferase ligated with L-aspartate and phosphate reveal the presence of a crystal unit-cell dimension that is intermediate between the T (tense) and R (relaxed) states. Characterizing the intermediate (I) crystal is a c-axis unit-cell dimension of 149 angstrom, halfway between the c-axis length of the T (c = 142 angstrom) and R (c = 156 angstrom) states, in the space group P321. Preservation of the P321 space group indicates that the intermediate crystal form retains a threefold axis of symmetry, and therefore the enzyme has at minimum a threefold axis; however, it is not known whether the molecular twofold axis is conserved. The I crystals are formed by soaking T-state crystals with L-aspartate and phosphate. By raising the concentration of L-aspartate the authors can further transform the I crystals, without fragmentation, to a form that has the same unit-cell dimensions as R-state crystals grown in the presence of N-(phosphonoacetyl)-L-aspartate
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Inulin isoforms differ by repeated additions of one crystal unit cell
Cooper, Peter D.; Barclay, Thomas G.; Ginic-Markovic, Milena; Gerson, Andrea R.; Petrovsky, Nikolai
2014-01-01
Inulin isoforms, especially delta inulin, are important biologically as immune activators and clinically as vaccine adjuvants. In exploring action mechanisms, we previously found regular increments in thermal properties of the seven-member inulin isoform series that suggested regular additions of some energetic structural unit. Because the previous isolates carried additional longer chains that masked defining ranges, these were contrasted with new isoform isolates comprising only inulin chain lengths defining that isoform. The new series began with 19 fructose units per chain (alpha-1 inulin), increasing regularly by 6 fructose units per isoform. Thus the ‘energetic unit’ equates to 6 fructose residues per chain. All isoforms showed indistinguishable X-ray diffraction patterns that were also identical with known inulin crystals. We conclude that an ‘energetic unit’ equates to one helix turn of 6 fructose units per chain as found in one unit cell of the inulin crystal. Each isoform chain comprised progressively more helix turns plus one additional fructose and glucose residues per chain. PMID:24528745
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Production of Monascus pigments as extracellular crystals by cell suspension culture.
Lu, Fengling; Liu, Lujie; Huang, Yaolin; Zhang, Xuehong; Wang, Zhilong
2018-01-01
It is generally accepted that Monascus pigments are predominantly cell-bound, including both intracellular and surface-bound pigments. This long-term misconception was corrected in the present work. Production of extracellular crystal pigments by submerged culture of Monascus sp. was confirmed by microscopic observation and collection of Monascus pigments from extracellular broth by direct membrane filtration. Following up the new fact, the bioactivity of mycelia as whole-cell biocatalyst for biosynthesis and biodegradation of Monascus pigments had been detailedly examined in both an aqueous solution and a nonionic surfactant micelle aqueous solution. Based on those experimental results, cell suspension culture in an aqueous medium was developed as a novel strategy for accumulation of high concentration of Monascus pigments. Thus, glucose feeding during submerged culture in the aqueous medium was carried out successfully and high orange Monascus pigments concentration of near 4 g/L was achieved.
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Photonic crystals for light trapping in solar cells
Energy Technology Data Exchange (ETDEWEB)
Gjessing, Jo
2012-07-25
Solar energy is an abundant and non-polluting source of energy. Nevertheless, the installation of solar cells for energy production is still dependent on subsidies in most parts of the world. One way of reducing the costs of solar cells is to decrease their thickness. This will reduce material consumption and, at the same time, unlock the possibility of using cheaper lower quality solar cell material. However, a thinner solar cell will have a higher optical loss due to insufficient absorption of long wavelength light. Therefore, light-trapping must be improved in order to make thin solar cells economically viable. In this thesis I investigate the potential for light-trapping in thin silicon solar cells by the use of various photonic crystal back-side structures. The first structure I study consists of a periodic array of cylinders in a configuration with a layer of silicon oxide separating the periodic structure from the rear metal reflector. This configuration reduces unwanted parasitic absorption in the reflector and the thickness of the oxide layer provides a new degree of freedom for improving light trapping from the structure. I use a large-period and a small-period approximation to analyze the cylinder structure and to identify criteria that contributes to successful light-trapping. I explore the light-trapping potential of various periodic structures including dimples, inverted pyramids, and cones. The structures are compared in an optical model using a 20 m thick Si slab. I find that the light trapping potential differs between the structures, that the unit cell dimensions for the given structure is more important for light trapping than the type of structure, and that the optimum lattice period does not differ significantly between the different structures. The light-trapping effect of the structures is investigated as a function on incidence angle. The structures provide good light trapping also under angles of incidence up to 60 degrees. The behavior
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Photonic crystals for light trapping in solar cells
International Nuclear Information System (INIS)
Gjessing, Jo
2012-01-01
Solar energy is an abundant and non-polluting source of energy. Nevertheless, the installation of solar cells for energy production is still dependent on subsidies in most parts of the world. One way of reducing the costs of solar cells is to decrease their thickness. This will reduce material consumption and, at the same time, unlock the possibility of using cheaper lower quality solar cell material. However, a thinner solar cell will have a higher optical loss due to insufficient absorption of long wavelength light. Therefore, light-trapping must be improved in order to make thin solar cells economically viable. In this thesis I investigate the potential for light-trapping in thin silicon solar cells by the use of various photonic crystal back-side structures. The first structure I study consists of a periodic array of cylinders in a configuration with a layer of silicon oxide separating the periodic structure from the rear metal reflector. This configuration reduces unwanted parasitic absorption in the reflector and the thickness of the oxide layer provides a new degree of freedom for improving light trapping from the structure. I use a large-period and a small-period approximation to analyze the cylinder structure and to identify criteria that contributes to successful light-trapping. I explore the light-trapping potential of various periodic structures including dimples, inverted pyramids, and cones. The structures are compared in an optical model using a 20 m thick Si slab. I find that the light trapping potential differs between the structures, that the unit cell dimensions for the given structure is more important for light trapping than the type of structure, and that the optimum lattice period does not differ significantly between the different structures. The light-trapping effect of the structures is investigated as a function on incidence angle. The structures provide good light trapping also under angles of incidence up to 60 degrees. The behavior
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Microwave modulation characteristics of twisted liquid crystals with chiral dopant
Directory of Open Access Journals (Sweden)
Rui Yuan
2017-01-01
Full Text Available Adding a chiral dopant in twisted nematic (TN liquid crystal cell can stabilize the orientation of liquid crystal molecules, particularly in high TN (HTN or super TN (STN liquid crystal cells. The difference in pitches in liquid crystal is induced by the chiral dopant, and these different pitches affect the orientation of liquid crystal director under an external applied voltage and influence the characteristics of microwave modulation. To illustrate this point, the microwave phase shift per unit length (MPSL versus voltage is calculated on the basis of the elastic theory of liquid crystal and the finite-difference iterative method. Enhancing the pitch induced by the chiral dopant in liquid crystal increases the MPSLs, but the stability of the twisted structures is decreased. Thus, appropriate pitches of 100d, 4d, and 2d can be applied in TN, HTN, and STN cells with cell gap d to enhance the characteristics of microwave modulation and stabilize the structures in twisted cell. This method can improve the characteristics of liquid crystal microwave modulators such that the operating voltage and the size of such phase shifters can be decreased.
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Babics, Maxime; Liang, Ru-Ze; Wang, Kai; Cruciani, Federico; Kan, Zhipeng; Wohlfahrt, Markus; Tang, Ming-Chun; Laquai, Fré dé ric; Beaujuge, Pierre
2017-01-01
Small-molecule (SM) donors that can be solution-processed with fullerene acceptors (e.g., PC61/71BM), or their “nonfullerene” counterparts, are proving particularly promising for the realization of high-efficiency bulk-heterojunction (BHJ) solar cells. In several recent studies, solvent vapor annealing (SVA) protocols have been found to yield significant BHJ device efficiency improvements via structural changes in the active layer morphologies. However, the mechanisms by which active layer morphologies evolve when subjected to SVA treatments, and the structural factors impacting charge generation, carrier transport, recombination and extraction in BHJ solar cells with SM donors and fullerene acceptors, remain important aspects to be elucidated. In this report, we show that – in BHJ solar cells with SM donors and fullerene acceptors – selective crystallization promoted by SVA mediates the development of optimized morphologies across the active layers, setting domain sizes and boundaries. Examining BHJ solar cells subjected to various SVA exposure times, with BDT[2F]QdC as the SM donor and PC71BM as the acceptor, we connect those morphological changes to specific carrier effects, showing that crystal growth effectively directs charge generation and recombination. We find that the SM donor-pure domains growing at the expense of a mixed donor-acceptor phase play a determining role, establishing optimum networks with 10-20nm-sized domains during the SVA treatment. Longer SVA times result in highly textured active layers with crystalline domains that can exceed the lengthscale of exciton diffusion, while inducing detrimental vertical morphologies and deep carrier traps. Last, we emphasize the field-dependence charge generation occurring upon SVA-mediated crystallization and link this carrier effect to the mixed phase depletion across the BHJ active layer.
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Babics, Maxime
2017-12-19
Small-molecule (SM) donors that can be solution-processed with fullerene acceptors (e.g., PC61/71BM), or their “nonfullerene” counterparts, are proving particularly promising for the realization of high-efficiency bulk-heterojunction (BHJ) solar cells. In several recent studies, solvent vapor annealing (SVA) protocols have been found to yield significant BHJ device efficiency improvements via structural changes in the active layer morphologies. However, the mechanisms by which active layer morphologies evolve when subjected to SVA treatments, and the structural factors impacting charge generation, carrier transport, recombination and extraction in BHJ solar cells with SM donors and fullerene acceptors, remain important aspects to be elucidated. In this report, we show that – in BHJ solar cells with SM donors and fullerene acceptors – selective crystallization promoted by SVA mediates the development of optimized morphologies across the active layers, setting domain sizes and boundaries. Examining BHJ solar cells subjected to various SVA exposure times, with BDT[2F]QdC as the SM donor and PC71BM as the acceptor, we connect those morphological changes to specific carrier effects, showing that crystal growth effectively directs charge generation and recombination. We find that the SM donor-pure domains growing at the expense of a mixed donor-acceptor phase play a determining role, establishing optimum networks with 10-20nm-sized domains during the SVA treatment. Longer SVA times result in highly textured active layers with crystalline domains that can exceed the lengthscale of exciton diffusion, while inducing detrimental vertical morphologies and deep carrier traps. Last, we emphasize the field-dependence charge generation occurring upon SVA-mediated crystallization and link this carrier effect to the mixed phase depletion across the BHJ active layer.
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Surface Restructuring of Hybrid Perovskite Crystals
Banavoth, Murali
2016-11-07
Hybrid perovskite crystals have emerged as an important class of semiconductors because of their remarkable performance in optoelectronics devices. The interface structure and chemistry of these crystals are key determinants of the device\\'s performance. Unfortunately, little is known about the intrinsic properties of the surfaces of perovskite materials because extrinsic effects, such as complex microstructures, processing conditions, and hydration under ambient conditions, are thought to cause resistive losses and high leakage current in solar cells. We reveal the intrinsic structural and optoelectronic properties of both pristinely cleaved and aged surfaces of single crystals. We identify surface restructuring on the aged surfaces (visualized on the atomic-scale by scanning tunneling microscopy) that lead to compositional and optical bandgap changes as well as degradation of carrier dynamics, photocurrent, and solar cell device performance. The insights reported herein clarify the key variables involved in the performance of perovskite-based solar cells and fabrication of high-quality surface single crystals, thus paving the way toward their future exploitation in highly efficient solar cells.
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Querido, William; Campos, Andrea P C; Martins Ferreira, Erlon H; San Gil, Rosane A S; Rossi, Alexandre M; Farina, Marcos
2014-09-01
We evaluate the effects of strontium ranelate on the composition and crystal structure of the biological bone-like apatite produced in osteoblast cell cultures, a system that gave us the advantage of obtaining mineral samples produced exclusively during treatment. Cells were treated with strontium ranelate at concentrations of 0.05 and 0.5 mM Sr(2+). Mineral substances were isolated and analyzed by using a combination of methods: Fourier transform infrared spectroscopy, solid-state (1)H nuclear magnetic resonance, X-ray diffraction, micro-Raman spectroscopy and energy dispersive X-ray spectroscopy. The minerals produced in all cell cultures were typical bone-like apatites. No changes occurred in the local structural order or crystal size of the minerals. However, we noticed several relevant changes in the mineral produced under 0.5 mM Sr(2+): (1) increase in type-B CO3 (2-) substitutions, which often lead to the creation of vacancies in Ca(2+) and OH(-) sites; (2) incorporation of Sr(2+) by substituting slightly less than 10 % of Ca(2+) in the apatite crystal lattice, resulting in an increase in both lattice parameters a and c; (3) change in the PO4 (3-) environments, possibly because of the expansion of the lattice; (4) the Ca/P ratio of this mineral was reduced, but its (Ca+Sr)/P ratio was the same as that of the control, indicating that its overall cation/P ratio was preserved. Thus, strontium ranelate changes the composition and crystal structure of the biological bone-like apatite produced in osteoblast cell cultures.
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Screening and Crystallization Plates for Manual and High-throughput Protein Crystal Growth
Thorne, Robert E. (Inventor); Berejnov, Viatcheslav (Inventor); Kalinin, Yevgeniy (Inventor)
2010-01-01
In one embodiment, a crystallization and screening plate comprises a plurality of cells open at a top and a bottom, a frame that defines the cells in the plate, and at least two films. The first film seals a top of the plate and the second film seals a bottom of the plate. At least one of the films is patterned to strongly pin the contact lines of drops dispensed onto it, fixing their position and shape. The present invention also includes methods and other devices for manual and high-throughput protein crystal growth.
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Crystal growth, spectral and laser properties of Nd:LuAG single crystal
International Nuclear Information System (INIS)
Xu, X D; Meng, J Q; Cheng, Y; Li, D Z; Cheng, S S; Wu, F; Zhao, Z W; Wang, X D; Xu, J
2009-01-01
Nd:LuAG (Nd:Lu 3 Al 5 O 12 ) crystal was grown by the Czochralski method. X-ray powder diffraction experiments show that the Nd:LuAG crystal crystallizes in the cubic with space group Ia3d and has the cell parameter: a = 1.1907 nm, V = 1.6882 nm 3 . The absorption and fluorescence spectra of Nd:LuAG crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LuAG crystal was demonstrated. The maximum output power at 1064 nm was obtained to be 3.8 W under the incident pump power of 17.3 W, with the optical conversion efficiency 22.0% and the slope efficiency 25.7%
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Crystal growth, spectral and laser properties of Nd:LuAG single crystal
Xu, X. D.; Wang, X. D.; Meng, J. Q.; Cheng, Y.; Li, D. Z.; Cheng, S. S.; Wu, F.; Zhao, Z. W.; Xu, J.
2009-09-01
Nd:LuAG (Nd:Lu3Al5O12) crystal was grown by the Czochralski method. X-ray powder diffraction experiments show that the Nd:LuAG crystal crystallizes in the cubic with space group Ia3d and has the cell parameter: a = 1.1907 nm, V = 1.6882 nm3. The absorption and fluorescence spectra of Nd:LuAG crystal at room temperature were investigated. With a fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Nd:LuAG crystal was demonstrated. The maximum output power at 1064 nm was obtained to be 3.8 W under the incident pump power of 17.3 W, with the optical conversion efficiency 22.0% and the slope efficiency 25.7%.
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Enhancement of Solar Cell Efficiency for Space Applications Using Two-Dimensional Photonic Crystals
Directory of Open Access Journals (Sweden)
Postigo P.A.
2017-01-01
Full Text Available The effects of having a nanopatterned photonic crystal (PC structure in the surface of a solar cell can be usefully employed to increase the energy conversion efficiency, which may be critical for space applications. In this work, we have measured the reflectance (R and transmittance (T of thin InP layers (270 nm thick bonded to a glass substrate and nanopatterned with holes down to the glass in a triangular symmetry lattice separated by a lattice parameter a=450nm and maintaining a value of r/a=0.32. The optical spectra were measured with angular resolution in the range from 0.55 to 2.0 eV. There are noticeable changes in the spectra of the PC sample, with minima and maxima of the R and T clearly shifted with respect to the unpatterned sample, and new features that alter significantly the overall lineshape of each spectrum. Those features correspond in a first approximation to the well-known Fano-like resonances of the discrete photonic modes of the PC lattice and they have been used before to determine experimentally the position of the PC bands. The observed features can be translated to the optical absorption (A defined as A=1-R-T provided there are low or negligible scattering effects. The generated absorption spectra show enhancements above and below the electronic band edge of the InP that can be correlated with the photonic band structure. Even using a thicker semiconductor layer, the abovementioned effects can justify to use a photonic crystal front surface with sub-wavelength motifs. In this way, we have fabricated and characterized a complete Ge/InGaP solar cell with a 2D-PC on its front surface. An increase in the photocurrent up to a 8% was achieved on a solar cell with a 40% of its surface covered with a PC pattern. Enhancements of the external quantum efficiency (EQE of 22% for a wide range of wavelengths and up to a 46% for specific wavelengths have been measured, without use of any anti-reflection coating (ARC. A correlation
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Crystallization of carbohydrate oxidase from Microdochium nivale
International Nuclear Information System (INIS)
Dušková, Jarmila; Dohnálek, Jan; Skálová, Tereza; Østergaard, Lars Henrik; Fuglsang, Claus Crone; Kolenko, Petr; Štěpánková, Andrea; Hašek, Jindřich
2009-01-01
Industrially used carbohydrate oxidase was successfully crystallized in several forms, diffraction data suitable for structural analysis were collected. Microdochium nivale carbohydrate oxidase was produced by heterologous recombinant expression in Aspergillus oryzae, purified and crystallized. The enzyme crystallizes with varying crystal morphologies depending on the crystallization conditions. Several different crystal forms were obtained using the hanging-drop vapour-diffusion method, two of which were used for diffraction measurements. Hexagon-shaped crystals (form I) diffracted to 2.66 Å resolution, with unit-cell parameters a = b = 55.7, c = 610.4 Å and apparent space group P6 2 22. Analysis of the data quality showed almost perfect twinning of the crystals. Attempts to solve the structure by molecular replacement did not give satisfactory results. Recently, clusters of rod-shaped crystals (form II) were grown in a solution containing PEG MME 550. These crystals belonged to the monoclinic system C2, with unit-cell parameters a = 132.9, b = 56.6, c = 86.5 Å, β = 95.7°. Data sets were collected to a resolution of 2.4 Å. The structure was solved by the molecular-replacement method. Model refinement is currently in progress
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Crystal growth and properties of novel organic nonlinear optical crystals of 4-Nitrophenol urea
Energy Technology Data Exchange (ETDEWEB)
Mohan, M. Krishna, E-mail: krishnamohan.m@ktr.srmuniv.ac.in; Ponnusamy, S.; Muthamizhchelvan, C.
2017-07-01
Single crystals of 4-Nitrophenol urea have been grown from water using slow evaporation technique at constant temperature, with the vision to improve the properties of the crystals. The unit cell parameters of the grown crystals were determined by single crystal and powder X-Ray diffraction. FTIR studies reveals the presence of different vibrational bands. The Optical studies confirmed that the crystal is transparent up to 360 nm .TGA and DSC studies were carried out to understand the thermal behavior of crystals. The SHG studies show the suitability of the crystals for NLO applications. The etching studies were carried out to study the behavior of the crystals under different conditions.These studies reveal that the crystals of 4-Nitrophenol urea are suitable for device applications. - Highlights: • 4-Nitrophenol urea crystals of dimensions 14 mm × 1 mm were grown. • UV–Visible studies indicate the crystal is transparent in the region of 370–800 nm. • Thermal studies show the crystal starts decomposing at 170 °C. • SHG studies indicate that the crystals have NLO efficiency 3.5 times that of KDP.
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Bera, Ashok
2015-12-03
Here we report that mesoporous ternary oxide Zn2SnO4 can significantly promotes the crystallization of hybrid perovskite layers and serves as an efficient electron transporting material in perovskite solar cells. Such devices exhibit an energy conversion efficiency of 13.34%, which is even higher than that achieved with the commonly used TiO2 in the similar experimental conditions (9.1%). Simple one-step spin coating of CH3NH3PbI3−xClx on Zn2SnO4 is found to lead to rapidly crystalized bilayer perovskite structure without any solvent engineering. Furthermore, ultrafast transient absorption measurement reveals efficient charge transfer at the Zn2SnO4/perovskite interface. Most importantly, solar cells with Zn2SnO4 as the electron-transporting material exhibit negligible electrical hysteresis and exceptionally high stability without encapsulation for over one month. Besides underscoring Zn2SnO4 as a highly promising electron transporting material for perovskite solar cells, our results demonstrate the significant role of interfaces on improving the perovskite crystallization and photovoltaic performance.
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Xia, Zhigang; Wang, Jihao; Hou, Yubin; Lu, Qingyou
2014-09-01
In this paper, we provide and demonstrate a design of a unique cell with Pt single crystal bead electrode for electrochemical scanning tunneling microscope (ECSTM) measurements. The active metal Pt electrode can be protected from air contamination during the preparation process. The transparency of the cell allows the tip and bead to be aligned by direct observation. Based on this, a new and effective alignment method is introduced. The high-quality bead preparations through this new cell have been confirmed by the ECSTM images of Pt (111).
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Crystal growth, spectroscopic and laser properties of Tm:LuAG crystal
Xu, X. D.; Wang, X. D.; Lin, Z. F.; Cheng, Y.; Li, D. Z.; Cheng, S. S.; Wu, F.; Zhao, Z. W.; Gao, C. Q.; Gao, M. W.; Xu, J.
2009-11-01
Tm:Lu3Al5O12 (Tm:LuAG) crystal was grown by the Czochralski method. The segregation coefficient was measured by Inductively Coupled Plasma Atomic Emission Spectrometer. The cell parameters were analyzed with X-ray powder diffraction experiments. The absorption and fluorescence spectra of Tm:LuAG crystal at room temperature were investigated. With a 20 W fiber-coupled diode laser as pump source, the continuous-wave (CW) laser action of Tm:LuAG crystal was demonstrated. The maximum output power at 2020 nm was obtained to be 3.04 W, and the slope efficiency was 25.3%.
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Shear Modulus of Sintered 'House of Cards'-Like Assemblies of Crystals
Schaink, H.M.; Malssen, van K.
2007-01-01
A cell model of a 'house of cards'-like assembly of crystals is used for the study of the evolution of the shear modulus during sintering. The crystals are assumed to have a lozenge shape. The cell model takes different crystal-crystal contacts into account. The force needed to separate two sintered
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Chen, Xu; Xu, Wen; Song, Hongwei; Chen, Cong; Xia, Haiping; Zhu, Yongsheng; Zhou, Donglei; Cui, Shaobo; Dai, Qilin; Zhang, Jiazhong
2016-04-13
Luminescent upconversion is a promising way to harvest near-infrared (NIR) sunlight and transforms it into visible light that can be directly absorbed by active materials of solar cells and improve their power conversion efficiency (PCE). However, it is still a great challenge to effectively improve the PCE of solar cells with the assistance of upconversion. In this work, we demonstrate the application of the transparent LiYF4:Yb(3+), Er(3+) single crystal as an independent luminescent upconverter to improve the PCE of perovskite solar cells. The LiYF4:Yb(3+), Er(3+) single crystal is prepared by an improved Bridgman method, and its internal quantum efficiency approached to 5.72% under 6.2 W cm(-2) 980 nm excitation. The power-dependent upconversion luminescence indicated that under the excitation of simulated sunlight the (4)F(9/2)-(4)I(15/2) red emission originally results from the cooperation of a 1540 nm photon and a 980 nm photon. Furthermore, when the single crystal is placed in front of the perovskite solar cells, the PCE is enhanced by 7.9% under the irradiation of simulated sunlight by 7-8 solar constants. This work implies the upconverter not only can serve as proof of principle for improving PCE of solar cells but also is helpful to practical application.
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DEFF Research Database (Denmark)
Rasmussen, Kim Krighaar; Kulahin, Nikolaj; Kristensen, Ole
2008-01-01
The crystal structure of the first immunoglobulin (Ig1) domain of neural cell adhesion molecule 2 (NCAM2/OCAM/RNCAM) is presented at a resolution of 2.7 A. NCAM2 is a member of the immunoglobulin superfamily of cell adhesion molecules (IgCAMs). In the structure, two Ig domains interact by domain...
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Influence of Surface Geometry of Grating Substrate on Director in Nematic Liquid Crystal Cell
International Nuclear Information System (INIS)
Ye Wenjiang; Xing Hongyu; Yang Guochen; Zhang Zhidong; Sun Yubao; Chen Guoying; Xuan Li
2011-01-01
The director in nematic liquid crystal cell with a weak anchoring grating substrate and a strong anchoring planar substrate is relative to the coordinates x and z. The influence of the surface geometry of the grating substrate in the cell on the director profile is numerically simulated using the two-dimensional finite-difference iterative method under the condition of one elastic constant approximation and zero driven voltage. The deepness of groove and the cell gap affect the distribution of director. For the relatively shallow groove and the relatively thick cell gap, the director is only dependent on the coordinate z. For the relatively deep groove and the relatively thin cell gap, the director must be dependent on the two coordinates x and z because of the increased elastic strain energy induced by the grating surface. (condensed matter: structural, mechanical, and thermal properties)
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International Nuclear Information System (INIS)
Chaouachi, A; M’nif, A; Hamzaoui, A H; Chtourou, R
2015-01-01
The effect of using inverse opal photonic crystals as back reflectors on the power conversion efficiency of c-Si solar cells is investigated. The reflection spectra of inverse opal photonic crystals with different diameters of air spheres are simulated using the finite difference time domain (FDTD) method. The reflection peaks are correlated with photonic band gaps present in the photonic band gap diagram. Significant improvement in the optical absorption of the crystalline silicon layer is recorded when inverse opal photonic crystals are considered. Physical mechanisms which may contribute to the enhancement of the light absorption are underlined. With higher short-circuit current enhancement possible, and with no corresponding degradation in open-circuit voltage V oc or the fill factor, the power conversion efficiency is increased significantly when inverse opal photonic crystals are used as back reflectors with optimized diameter of air spheres. (paper)
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DEFF Research Database (Denmark)
Periotto, Benedetta
-ray instruments. At the same time, the high-pressure experiments have benefited by the strong improvements on the high-pressure devices, in particular the diamond-anvil cell (DAC). The aim of this research project is to assess the quality of the data obtained by means of the single-crystal X-ray diffraction...... technique through the study of different mineral phases. The procedure for setting up an experiment under high-pressure conditions, using a single crystal as sample held within a DAC, are presented here with all the details of the in situ measurements at high-pressure conditions. The research project...... started with a comparison between two different DACs, in order to define the capabilities of one of the most common types of pressure device, the ETH-type DAC. Application examples of data quality analysis have been conducted on pyroxenes (NaInSi2O6, orthoenstatite MgSiO3 and LiCrSi2O6), which...
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Directory of Open Access Journals (Sweden)
Perry Trinity L
2007-11-01
Full Text Available Abstract Background Heparan sulfate proteoglycans modulate signaling by a variety of growth factors. The mammalian proteoglycan Perlecan binds and regulates signaling by Sonic Hedgehog, Fibroblast Growth Factors (FGFs, Vascular Endothelial Growth Factor (VEGF and Platelet Derived Growth Factor (PDGF, among others, in contexts ranging from angiogenesis and cardiovascular development to cancer progression. The Drosophila Perlecan homolog trol has been shown to regulate the activity of Hedgehog and Branchless (an FGF homolog to control the onset of stem cell proliferation in the developing brain during first instar. Here we extend analysis of trol mutant phenotypes to show that trol is required for a variety of developmental events and modulates signaling by multiple growth factors in different situations. Results Different mutations in trol allow developmental progression to varying extents, suggesting that trol is involved in multiple cell-fate and patterning decisions. Analysis of the initiation of neuroblast proliferation at second instar demonstrated that trol regulates this event by modulating signaling by Hedgehog and Branchless, as it does during first instar. Trol protein is distributed over the surface of the larval brain, near the regulated neuroblasts that reside on the cortical surface. Mutations in trol also decrease the number of circulating plasmatocytes. This is likely to be due to decreased expression of pointed, the response gene for VEGF/PDGF signaling that is required for plasmatocyte proliferation. Trol is found on plasmatocytes, where it could regulate VEGF/PDGF signaling. Finally, we show that in second instar brains but not third instar brain lobes and eye discs, mutations in trol affect signaling by Decapentaplegic (a Transforming Growth Factor family member, Wingless (a Wnt growth factor and Hedgehog. Conclusion These studies extend the known functions of the Drosophila Perlecan homolog trol in both developmental and
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Organic semiconductor crystals.
Wang, Chengliang; Dong, Huanli; Jiang, Lang; Hu, Wenping
2018-01-22
Organic semiconductors have attracted a lot of attention since the discovery of highly doped conductive polymers, due to the potential application in field-effect transistors (OFETs), light-emitting diodes (OLEDs) and photovoltaic cells (OPVs). Single crystals of organic semiconductors are particularly intriguing because they are free of grain boundaries and have long-range periodic order as well as minimal traps and defects. Hence, organic semiconductor crystals provide a powerful tool for revealing the intrinsic properties, examining the structure-property relationships, demonstrating the important factors for high performance devices and uncovering fundamental physics in organic semiconductors. This review provides a comprehensive overview of the molecular packing, morphology and charge transport features of organic semiconductor crystals, the control of crystallization for achieving high quality crystals and the device physics in the three main applications. We hope that this comprehensive summary can give a clear picture of the state-of-art status and guide future work in this area.
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International Nuclear Information System (INIS)
Huang, Rui; Cheng, Jun; Qiu, Yi; Li, Tao; Zhou, Junhu; Cen, Kefa
2015-01-01
Highlights: • Ethanol and isopropanol were used for transesterification in wet microalgae cell. • Decreased droplet size and polarity of lipid were observed after transesterification. • Ethanol and isopropanol dosage needed for 95% FAAE yield were 75% of methanol dosage. • Crystallization temperature of crude biodiesel decreased from 2.08 °C to −3.15 °C. - Abstract: Renewable ethanol and isopropanol were employed for lipid transesterification in wet microalgae cells to produce biodiesel with low crystallization temperature and reduce the alcohol volume needed for biodiesel production. Decreased droplet size and lipid polarity were observed after transesterification with alcohol in microalgae cells. Such decrease was beneficial in extracting lipid from microalgae with apolar hexane. The effects of reaction temperature, reaction time, and alcohol volume on microwave-assisted transesterification with ethanol and isopropanol were investigated, and results were compared with those with methanol. Microwave-assisted transesterification with ethanol and isopropanol, which were more miscible with lipid in cells, resulted in higher fatty acid alkyl ester (FAAE) yields than that with methanol when the reaction temperature was lower than 90 °C. The ethanol and isopropanol volumes in the transesterification with 95% FAAE yield were only 75% of the methanol volume. The crystallization temperatures (0.19 °C and −3.15 °C) of biodiesels produced from wet microalgae through lipid transesterification in cells with ethanol and isopropanol were lower than that with methanol (2.08 °C), which was favorable for biodiesel flow in cold districts and winter.
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Investigation of the liquid crystal alignment layer: effect on electrical properties
International Nuclear Information System (INIS)
Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh; Ouada, Hafedh Ben
2008-01-01
We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit
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Investigation of the liquid crystal alignment layer: effect on electrical properties
Energy Technology Data Exchange (ETDEWEB)
Abderrahmen, Asma; Romdhane, Fayda Fekih; Gharbi, Abdelhafidh [Laboratoire de la matiere molle, Faculte des sciences, Tunis (Tunisia); Ouada, Hafedh Ben [Laboratoire de physique et chimie des interfaces, Faculte des sciences, 5000 Monastir (Tunisia)], E-mail: asma_abderrahmen@yahoo.fr
2008-04-01
We investigate the electrical behavior of a symmetric liquid crystal (LC) cell: elecrode-silane-LC-silane-electrode. The silane (chlorodimethyloctadecyl-silane) layer induces a homeotropic orientation of the nematic liquid crystal (NLC) molecules. The wettability technique is used to detect the change of the surface energy of the electrode upon cleaning and silane layer deposition. We report on the dynamic impedance measurements of the nematic liquid crystal cell. It is found that the silane alignment layer has a blocking effect on the liquid crystal (LC) cell. We also study the relaxation behavior of the cell which is later assimilated as an electrical equivalent circuit.
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Dipole plasma in molecular crystals
International Nuclear Information System (INIS)
Kotel'nikov, Yu.E.; Kochelaev, B.I.
1976-01-01
Collective oscillations in a system of electric dipoles of molecular crystals are investigated. It has been proved in the exciton approximation that in an elementary cell of a molecular crystal with one molecule there may exist energy fluctuations of the ''dipole'' plasma, analogous to plasma oscillations in the charged Fermi liquid
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Designing High-Efficiency Thin Silicon Solar Cells Using Parabolic-Pore Photonic Crystals
Bhattacharya, Sayak; John, Sajeev
2018-04-01
We demonstrate the efficacy of wave-interference-based light trapping and carrier transport in parabolic-pore photonic-crystal, thin-crystalline silicon (c -Si) solar cells to achieve above 29% power conversion efficiencies. Using a rigorous solution of Maxwell's equations through a standard finite-difference time domain scheme, we optimize the design of the vertical-parabolic-pore photonic crystal (PhC) on a 10 -μ m -thick c -Si solar cell to obtain a maximum achievable photocurrent density (MAPD) of 40.6 mA /cm2 beyond the ray-optical, Lambertian light-trapping limit. For a slanted-parabolic-pore PhC that breaks x -y symmetry, improved light trapping occurs due to better coupling into parallel-to-interface refraction modes. We achieve the optimum MAPD of 41.6 mA /cm2 for a tilt angle of 10° with respect to the vertical axis of the pores. This MAPD is further improved to 41.72 mA /cm2 by introducing a 75-nm SiO2 antireflective coating on top of the solar cell. We use this MAPD and the associated charge-carrier generation profile as input for a numerical solution of Poisson's equation coupled with semiconductor drift-diffusion equations using a Shockley-Read-Hall and Auger recombination model. Using experimentally achieved surface recombination velocities of 10 cm /s , we identify semiconductor doping profiles that yield power conversion efficiencies over 29%. Practical considerations of additional upper-contact losses suggest efficiencies close to 28%. This improvement beyond the current world record is largely due to an open-circuit voltage approaching 0.8 V enabled by reduced bulk recombination in our thin silicon architecture while maintaining a high short-circuit current through wave-interference-based light trapping.
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Energy Technology Data Exchange (ETDEWEB)
Yip, Cho Tung; Zhou, Limin [Department of Mechanical Engineering, Hong Kong Polytechnic University, Hung Hom, Kowloon (China); Huang, Haitao; Xie, Keyu; Wang, Yu. [Department of Applied Physics and Materials Research Center, Hong Kong Polytechnic University, Hung Hom, Kowloon (China); Feng, Tianhua; Li, Jensen [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon (China); Tam, Wing Yim [Department of Physics, Hong Kong University of Science and Technology, Clear Water Bay, Kowloon (China)
2011-12-15
A TiO{sub 2} nanotube layer with a periodic structure is used as a photonic crystal to greatly enhance light harvesting in TiO{sub 2} nanotube-based dye-sensitized solar cells. Such a tube-on-tube structure fabricated by a single-step approach facilitates good physical contact, easy electrolyte infiltration, and efficient charge transport. An increase of over 50% in power conversion efficiency is obtained in comparison to reference cells without a photonic crystal layer (under similar total thickness and dye loading). (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
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International Nuclear Information System (INIS)
Joseph, Raji E.; Ginder, Nathaniel D.; Hoy, Julie A.; Nix, Jay C.; Honzatko, Richard B.; Andreotti, Amy H.
2011-01-01
Crystallization conditions are described for the cis- and trans-imide bond-containing SH2 domain of IL-2-inducible T-cell kinase. Proline is a unique amino acid owing to the relatively small energy difference between the cis and trans conformations of its peptide bond. The X–Pro imide bond readily undergoes cis–trans isomerization in the context of short peptides as well as some proteins. However, the direct detection of cis–trans proline isomerization in folded proteins is technically challenging. NMR spectroscopy is well suited to the direct detection of proline isomerization in folded proteins. It is less clear how well X-ray crystallography can reveal this conformational exchange event in folded proteins. Conformational heterogeneity owing to cis–trans proline isomerization in the Src homology 2 (SH2) domain of the IL-2-inducible T-cell kinase (ITK) has been extensively characterized by NMR. Using the ITK SH2 domain as a test system, an attempt was made to determine whether proline isomerization could be detected in a crystal structure of the ITK SH2 domain. As a first step towards this goal, the purification, crystallization and preliminary characterization of the ITK SH2 domain are described
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Magneto-optical properties of biogenic photonic crystals in algae
International Nuclear Information System (INIS)
Iwasaka, M.; Mizukawa, Y.
2014-01-01
In the present study, the effects of strong static magnetic fields on the structural colors of the cell covering crystals on a microalgae, coccolithophore, were investigated. The coccolithophore, Emiliania huxleyi, generates a precise assembly of calcite crystals called coccoliths by biomineralization. The coccoliths attached to the cells exhibited structural colors under side light illumination, and the colors underwent dynamic transitions when the magnetic fields were changed between 0 T and 5 T, probably due to diamagnetically induced changes of their inclination under the magnetic fields. The specific light-scattering property of individual coccoliths separated from the cells was also observed. Light scattering from a condensed suspension of coccoliths drastically decreased when magnetic fields of more than 4 T were applied parallel to the direction of observation. The magnetically aligned cell-covering crystals of the coccolithophores exhibited the properties of both a photonic crystal and a minimum micromirror
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Nano crystals for Electronic and Optoelectronic Applications
International Nuclear Information System (INIS)
Zhu, T.; Cloutier, S.G.; Ivanov, I; Knappenberger Jr, K.L.; Robel, I.; Zhang, F
2012-01-01
Electronic and optoelectronic devices, from computers and smart cell phones to solar cells, have become a part of our life. Currently, devices with featured circuits of 45 nm in size can be fabricated for commercial use. However, further development based on traditional semiconductor is hindered by the increasing thermal issues and the manufacturing cost. During the last decade, nano crystals have been widely adopted in various electronic and optoelectronic applications. They provide alternative options in terms of ease of processing, low cost, better flexibility, and superior electronic/optoelectronic properties. By taking advantage of solution-processing, self-assembly, and surface engineering, nano crystals could serve as new building blocks for low-cost manufacturing of flexible and large area devices. Tunable electronic structures combined with small exciton binding energy, high luminescence efficiency, and low thermal conductivity make nano crystals extremely attractive for FET, memory device, solar cell, solid-state lighting/display, photodetector, and lasing applications. Efforts to harness the nano crystal quantum tunability have led to the successful demonstration of many prototype devices, raising the public awareness to the wide range of solutions that nano technology can provide for an efficient energy economy. This special issue aims to provide the readers with the latest achievements of nano crystals in electronic and optoelectronic applications, including the synthesis and engineering of nano crystals towards the applications and the corresponding device fabrication, characterization and computer modeling.
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International Nuclear Information System (INIS)
Reis, Marcelo Augusto dos; Saraiva, Antonio Marcos; Santos, Marcelo Leite dos; Souza, Anete Pereira de; Aparicio, Ricardo
2012-01-01
The crystallization and preliminary analysis of two crystal forms of survival protein E from X. fastidiosa are reported. The bacterium Xylella fastidiosa is a phytopathogenic organism that causes citrus variegated chlorosis, a disease which attacks economically important crops, mainly oranges. In this communication, the crystallization and preliminary X-ray crystallographic analysis of XfSurE, a survival protein E from X. fastidiosa, are reported. Data were collected for two crystal forms, I and II, to 1.93 and 2.9 Å resolution, respectively. Crystal form I belonged to space group C2, with unit-cell parameters a = 172.36, b = 84.18, c = 87.24 Å, α = γ = 90, β = 96.59°, whereas crystal form II belonged to space group C2, with unit-cell parameters a = 88.05, b = 81.26, c = 72.84 Å, α = γ = 90, β = 94.76°
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Control of liquid crystal molecular orientation using ultrasound vibration
Energy Technology Data Exchange (ETDEWEB)
Taniguchi, Satoki [Faculty of Life and Medical Sciences, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Koyama, Daisuke; Matsukawa, Mami [Wave Electronics Research Center, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Shimizu, Yuki; Emoto, Akira [Faculty of Science and Engineering, Doshisha University, 1-3 Tataramiyakodani, Kyotanabe, Kyoto 610-0321 (Japan); Nakamura, Kentaro [Precision and Intelligence Laboratory, Tokyo Institute of Technology, 4259-R2-26, Nagatsuta-cho, Midori-ku, Yokohama 226-8503 (Japan)
2016-03-07
We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5–25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.
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Dumas, K. A. (Editor)
1985-01-01
A Workshop on Crystal Growth for High-Efficiency Silicon Solar Cells was held December 3 and 4, 1984, in San Diego, California. The Workshop offered a day and a half of technical presentations and discussions and an afternoon session that involved a panel discussion and general discussion of areas of research that are necessary to the development of materials for high-efficiency solar cells. Topics included the theoretical and experimental aspects of growing high-quality silicon crystals, the effects of growth-process-related defects on photovoltaic devices, and the suitability of various growth technologies as cost-effective processes. Fifteen invited papers were presented, with a discussion period following each presentation. The meeting was organized by the Flat-Plate Solar Array Project of the Jet Propulsion Laboratory. These Proceedings are a record of the presentations and discussions, edited for clarity and continuity.
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Crystallization of the FaeE chaperone of Escherichia coli F4 fimbriae
International Nuclear Information System (INIS)
Van Molle, Inge; Buts, Lieven; Coppens, Fanny; Qiang, Liu; Wyns, Lode; Loris, Remy; Bouckaert, Julie; De Greve, Henri
2005-01-01
The periplasmic chaperone FaeE of E. coli F4 fimbriae crystallizes in three crystal forms. F4 (formerly K88) fimbriae from enterotoxigenic Escherichia coli are assembled via the FaeE/FaeD chaperone/usher pathway. The chaperone FaeE crystallizes in three crystal forms, all belonging to space group C2. Crystals of form 1 diffract to 2.3 Å and have unit-cell parameters a = 195.7, b = 78.5, c = 184.6 Å, β = 102.2°. X-ray data for crystal form 2 were collected to 2.7 Å using an SeMet variant of FaeE. The crystals have unit-cell parameters a = 136.4, b = 75.7, c = 69.4 Å, β = 92.8°. Crystals of form 3 were formed in a solution containing the FaeE–FaeG complex and diffract to 2.8 Å. Unit-cell parameters are a = 109.7, b = 78.6, c = 87.8 Å, β = 96.4°
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Crystallization of the FaeE chaperone of Escherichia coli F4 fimbriae
Energy Technology Data Exchange (ETDEWEB)
Van Molle, Inge, E-mail: ivmolle@vub.ac.be; Buts, Lieven; Coppens, Fanny; Qiang, Liu; Wyns, Lode; Loris, Remy; Bouckaert, Julie; De Greve, Henri [Laboratorium voor Ultrastructuur, Vlaams Interuniversitair Instituut voor Biotechnologie, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel (Belgium)
2005-04-01
The periplasmic chaperone FaeE of E. coli F4 fimbriae crystallizes in three crystal forms. F4 (formerly K88) fimbriae from enterotoxigenic Escherichia coli are assembled via the FaeE/FaeD chaperone/usher pathway. The chaperone FaeE crystallizes in three crystal forms, all belonging to space group C2. Crystals of form 1 diffract to 2.3 Å and have unit-cell parameters a = 195.7, b = 78.5, c = 184.6 Å, β = 102.2°. X-ray data for crystal form 2 were collected to 2.7 Å using an SeMet variant of FaeE. The crystals have unit-cell parameters a = 136.4, b = 75.7, c = 69.4 Å, β = 92.8°. Crystals of form 3 were formed in a solution containing the FaeE–FaeG complex and diffract to 2.8 Å. Unit-cell parameters are a = 109.7, b = 78.6, c = 87.8 Å, β = 96.4°.
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Aggarwal, A; Tandon, S; Singla, S K; Tandon, C
2010-01-01
Recurrence and persistent side effects of present day treatment for urolithiasis restrict their use, so an alternate solution, using phytotherapy is being sought. The present study attempted to evaluate the antilithiatic properties of Tribulus terrestris commonly called as "gokhru" which is often used in ayurveda to treat various urinary diseases including urolithiasis. The activity of Tribulus terrestris was investigated on nucleation and the growth of the calcium oxalate (CaOx) crystals as well as on oxalate induced cell injury of NRK 52E renal epithelial cells. Tribulus terrestris extract exhibited a concentration dependent inhibition of nucleation and the growth of CaOx crystals. When NRK-52E cells were injured by exposure to oxalate for 72 h, Tribulus terrestris extract prevented the injury in a dose-dependent manner. On treatment with the different concentrations of the plant, the cell viability increased and lactate dehydrogenase release decreased in a concentration dependent manner. The current data suggests that Tribulus terrestris extract not only has a potential to inhibit nucleation and the growth of the CaOx crystals but also has a cytoprotective role. Our results indicate that it could be a potential candidate for phytotherapy against urolithiasis.
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Magalhães, Raquel; Gehrke, Thorsten; Souto-Carneiro, Maria M; Kriegsmann, Jörg; Krenn, Veit
2002-01-01
The presence of immunoglobulin crystal inclusions in plasma cells from plasmacytomas and B-NHLs (linked to overstimulation and overproduction) has been frequently reported. Our case describes a lymphoplasmacellular synovitis in a patient with osteoarthritis (OA) showing an unusually high plasma cell infiltration and for the first time crystals in plasma cells. Using immunohistochemistry. these crystals were identified as being IgG with a balanced lambda/kappa ratio. IgV(H) gene analysis (n = 5 clones) showed that they were somatically mutated (R/S of CDR > 3): in one case, an insertion of 9 nucleotides on the CDR2 region was observed. High R/S values in the CDR indicated antigen selectivity and affinity (4/5). Since no germinal centers could be detected and the analyzed B cells showed antigen selectivity, it may be concluded that already antigenically activated B cells migrated into the synovium and locally differentiated into plasma cells, leading to the extensive infiltration observed. Rheumatoid fibroblasts were shown to support terminal B cell differentiation. Our data suggests that the ability of fibroblasts to activate B cells is not only restricted to RA, but also occurs in OA. The intense plasma cell infiltration contributed to further cartilage damage by altering the microenvironment of the nourishing synovial tissue or by the local production of pathogenic autoantibodies.
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Three-dimensional photonic crystals as intermediate filter for thin-film tandem solar cells
Bielawny, Andreas; Miclea, Paul T.; Wehrspohn, Ralf B.; Lee, Seung-Mo; Knez, Mato; Rockstuhl, Carsten; Lisca, Marian; Lederer, Falk L.; Carius, Reinhard
2008-04-01
The concept of a 3D photonic crystal structure as diffractive and spectrally selective intermediate filter within 'micromorphous' (a-Si/μc-Si) tandem solar cells has been investigated numerically and experimentally. Our device aims for the enhancement of the optical pathway of incident light within the amorphous silicon top cell in its spectral region of low absorption. From our previous simulations, we expect a significant improvement of the tandem cell efficiency of about absolutely 1.3%. This increases the efficiency for a typical a-Si / μc-Si tandem cell from 11.1% to 12.4%, as a result of the optical current-matching of the two junctions. We suggest as wavelength-selective optical element a 3D-structured optical thin-film, prepared by self-organized artificial opal templates and replicated with atomic layer deposition. The resulting samples are highly periodic thin-film inverted opals made of conducting and transparent zinc-oxide. We describe the fabrication processes and compare experimental data on the optical properties in reflection and transmission with our simulations and photonic band structure calculations.
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Moore, David T.
2015-02-18
© 2015 American Chemical Society. Methylammonium lead halide perovskite solar cells continue to excite the research community due to their rapidly increasing performance which, in large part, is due to improvements in film morphology. The next step in this progression is control of the crystal morphology which requires a better fundamental understanding of the crystal growth. In this study we use in situ X-ray scattering data to study isothermal transformations of perovskite films derived from chloride, iodide, nitrate, and acetate lead salts. Using established models we determine the activation energy for crystallization and find that it changes as a function of the lead salt. Further analysis enabled determination of the precursor composition and showed that the primary step in perovskite formation is removal of excess organic salt from the precursor. This understanding suggests that careful choice of the lead salt will aid in controlling crystal growth, leading to superior films and better performing solar cells.
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Guided mode studies of smectic liquid crystals
International Nuclear Information System (INIS)
Hodder, B.
2000-03-01
Recently there has been considerable interest in the use of ferroelectric liquid crystals in low power, fast switching display devices. At present the voltage switching process in surface stabilised ferroelectric liquid crystal (SSFLC) devices is not fully understood and a convenient theory for such cells has yet to be found. It is the primary aim of this work to characterise the optic tensor configuration (director profile) in thin cells (∼ 3.5 μm) containing ferroelectric liquid crystal (FLC) material. These results form a benchmark by which continuum theories may be tested. Polarised microscopy is, perhaps, the most common optical probe of liquid crystal cells. It should be appreciated that this technique is fundamentally limited, as the results are deduced from an integrated optical response of any given cell, and cannot be used to spatially resolve details of the director profile through the cell. The guided mode techniques used in this study are the primary non-integral probe and enable detailed spatial resolution of the director profile within liquid crystal cells. Analysis of guided mode data from cells containing homeotropically aligned FLC reveals the temperature dependence of the optical biaxiality and cone angle for a 40% chiral mixture of the commercially available FLC SCE8*. From these optical biaxiality measurements the temperature dependence of the biaxial order parameter C is determined. Guided mode studies of cells containing homogeneously aligned SCE8* (the conventional alignment for SSFLC devices) reveal the 0V equilibrium director profile from which a cone and chevron model is constructed. Subsequent studies of voltage induced elastic deformations of the director profile are presented and compared with a single elastic constant continuum theory which is shown to be inadequate. Optical guided mode techniques are not directly sensitive to the smectic layer configuration but X-ray scattering is. Here, for the first time, results are presented
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Novel cell parameter determination of a twisted-nematic liquid crystal display
International Nuclear Information System (INIS)
Huang Xia; Jing Hai; Fu Guozhu
2008-01-01
In this paper a novel method is proposed to determine the cell parameters including the twist angle, optic retardation and rubbing direction of twisted-nematic liquid crystal displays (TNLCD) by rotating the TNLCD. It is a single-wavelength method. Because using subtraction equation of transmittance as curve fitting equation, the influence of the light from environment and the absorption by polarizer, the sample of TNLCD and analyser on the transmittance is eliminated. Accurate results can also be obtained in imperfect darkness. By large numbers of experiments, we found that not only the experimental setup is quite simple and can be easily adopted to be carried out, but also the results are accurate
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Crystal growth, spectral properties, and laser demonstration of laser crystal Nd:LYSO
Li, D. Z.; Xu, X. D.; Zhou, D. H.; Zhuang, S. D.; Wang, Z. P.; Xia, C. T.; Wu, F.; Xu, J.
2010-11-01
A Nd:LYSO crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). The Judd-Ofelt intense parameters Ω2,4,6 were obtained to be 2.65, 5.75, and 7.37×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The large absorption cross section (6.14×10-20 cm2) and broad absorption band (5 nm) around 811 nm indicate that this crystal can be pumped efficiently by laser diodes. The broad emission band from the 4F3/2 multiplet shows that the crystal is a promising medium for ultrashort pulse lasers. Pumped by a laser diode, the maximum 814 mW continuous-wave laser output has been obtained with a slope efficiency of 28.9%. All the results show that this crystal is a promising laser material.
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Crystal growth, spectral properties, and laser demonstration of laser crystal Nd:LYSO
International Nuclear Information System (INIS)
Li, D Z; Xu, X D; Zhou, D H; Xia, C T; Wu, F; Zhuang, S D; Wang, Z P; Xu, J
2010-01-01
A Nd:LYSO crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). The Judd-Ofelt intense parameters Ω 2,4,6 were obtained to be 2.65, 5.75, and 7.37×10 -20 cm 2 , respectively. The absorption and emission cross sections and the branching ratios were calculated. The large absorption cross section (6.14×10 -20 cm 2 ) and broad absorption band (5 nm) around 811 nm indicate that this crystal can be pumped efficiently by laser diodes. The broad emission band from the 4 F 3/2 multiplet shows that the crystal is a promising medium for ultrashort pulse lasers. Pumped by a laser diode, the maximum 814 mW continuous-wave laser output has been obtained with a slope efficiency of 28.9%. All the results show that this crystal is a promising laser material
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Nucleation of rotating crystals by Thiovulum majus bacteria
Petroff, A. P.; Libchaber, A.
2018-01-01
Thiovulum majus self-organize on glass surfaces into active two-dimensional crystals of rotating cells. Unlike classical crystals, these bacterial crystallites continuously rotate and reorganize as the power of rotating cells is dissipated by the surrounding flow. In this article, we describe the earliest stage of crystallization, the attraction of two bacteria into a hydrodynamically-bound dimer. This process occurs in three steps. First a free-swimming cell collides with the wall and becomes hydrodynamically bound to the two-dimensional surface. We present a simple model to understand how viscous forces localize cells near the chamber walls. Next, the cell diffuses over the surface for an average of 63+/- 6 s before escaping to the bulk fluid. The diffusion coefficient {D}{{eff}}=7.98 +/- 0.1 μ {{{m}}}2 {{{s}}}-1 of these 8.5 μ {{m}} diameter cells corresponds to a temperature of (4.16+/- 0.05)× {10}4 K, and thus cannot be explained by equilibrium fluctuations. Finally, two cells coalesce into a rotating dimer when the convergent flow created by each cell overwhelms their active Brownian motion. This occurs when cells diffuse to within a distance of 13.3 ± 0.2 μm of each other.
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International Nuclear Information System (INIS)
Hillier, Brian J.; Sundaresan, Vidyasankar; Stout, C. David; Vacquier, Victor D.
2005-01-01
The olfactomedin (OLF) domain from the sea urchin cell-adhesion protein amassin has been crystallized. A native data set extending to 2.7 Å has been collected using an in-house X-ray source. A family of animal proteins is emerging which contain a conserved protein motif known as an olfactomedin (OLF) domain. Novel extracellular protein–protein interactions occur through this domain. The OLF-family member amassin, from the sea urchin Strongylocentrotus purpuratus, has previously been identified to mediate a rapid cell-adhesion event resulting in a large aggregation of coelomocytes, the circulating immune cells. In this work, heterologous expression and purification of the OLF domain from amassin was carried out and initial crystallization trials were performed. A native data set has been collected, extending to 2.7 Å under preliminary cryoconditions, using an in-house generator. This work leads the way to the determination of the first structure of an OLF domain
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Directory of Open Access Journals (Sweden)
A. Aggarwal
2010-08-01
Full Text Available PURPOSE: Recurrence and persistent side effects of present day treatment for urolithiasis restrict their use, so an alternate solution, using phytotherapy is being sought. The present study attempted to evaluate the antilithiatic properties of Tribulus terrestris commonly called as “gokhru” which is often used in ayurveda to treat various urinary diseases including urolithiasis. MATERIALS AND METHODS: The activity of Tribulus terrestris was investigated on nucleation and the growth of the calcium oxalate (CaOx crystals as well as on oxalate induced cell injury of NRK 52E renal epithelial cells. RESULTS: Tribulus terrestris extract exhibited a concentration dependent inhibition of nucleation and the growth of CaOx crystals. When NRK-52E cells were injured by exposure to oxalate for 72 h, Tribulus terrestris extract prevented the injury in a dose-dependent manner. On treatment with the different concentrations of the plant, the cell viability increased and lactate dehydrogenase release decreased in a concentration dependent manner. CONCLUSION: The current data suggests that Tribulus terrestris extract not only has a potential to inhibit nucleation and the growth of the CaOx crystals but also has a cytoprotective role. Our results indicate that it could be a potential candidate for phytotherapy against urolithiasis.
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Roman, Maciej; Marzec, Katarzyna M.; Grzebelus, Ewa; Simon, Philipp W.; Baranska, Malgorzata; Baranski, Rafal
2015-02-01
Three categories of roots differing in both β/α-carotene ratio and in total carotenoid content were selected based on HPLC measurements: high α- and β-carotene (HαHβ), low α- and high β-carotene (LαHβ), and low α- and low β-carotene (LαLβ). Single carotenoid crystals present in the root cells were directly measured using high resolution Raman imaging technique with 532 nm and 488 nm lasers without compound extraction. Crystals of the HαHβ root had complex composition and consisted of β-carotene accompanied by α-carotene. In the LαHβ and LαLβ roots, measurements using 532 nm laser indicated the presence of β-carotene only, but measurements using 488 nm laser confirmed co-occurrence of xanthophylls, presumably lutein. Thus the results show that independently on carotenoid composition in the root, carotenoid crystals are composed of more than one compound. Individual spectra extracted from Raman maps every 0.2-1.0 μm had similar shapes in the 1500-1550 cm-1 region indicating that different carotenoid molecules were homogeneously distributed in the whole crystal volume. Additionally, amorphous carotenoids were identified and determined as composed of β-carotene molecules but they had a shifted the ν1 band probably due to the effect of bonding of other plant constituents like proteins or lipids.
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Directory of Open Access Journals (Sweden)
Margherita Anna Barracco
1987-09-01
Full Text Available Five hemocyte types were identified in the hemolymph of Panstrongylus megistus by phase contrast and common light microscopy using some histochemical methods. These are: Prohemocytes, small cells presenting a great nucleus/cytoplasm ratio; Plasmatocytes, the most numerous hemocytes, are polymorphic cells mainly characterized by a large amount of lysosomes; Granulocytes, hemocytes very similar to plasmatocytes which contain cytoplasmic granules and are especially rich in polysaccharides; Oenocytoids, cells presenting a small nucleus and a thick cytoplasm; they show many small round vacuoles when observed in Giemsa smears and many cytoplasmic granules under phase microscopy; Adipohemocytes, very large hemocytes, presenting many fat droplet inclusions which could correspond to free fat bodies which entered the hemolymph. Only prohemocytes and plasmatocytes can be clearly classified; all the other hemocyte types have a more ambiguous classification.Cinco tipos de hemócitos foram identificados na hemolinfa de Panstrongylus megistus através da microscopia de constraste de fase e de luz, usando alguns testes histoquímicos: Pró-hemócitos-células pequenas que mostram uma grande relação núcleocitoplasmática; Plasmotócitos-células polimporficas, que se caracterizam principalmente pela sua grande abundância em lisossomos - são os hemócitos mais numerosos; Granulócitos-células muito semelhantes aos plasmatócitos que contêm grânulos citoplasmáticos particularmente ricos em polissacarídeos; Enocitóides-hemócitos que apresentam um núcleo pequeno e cujo citoplasma basofílico revela-se muito denso e homogênio - mostram uma série de pequenos vacúolos esféricos quando observados nos esfregaços corados pelo Giemsa, mas a microscopia de fase revela uma grande quantidade de pequenos grânulo ao invés de vacúolos; Adipo-hemócitos-hemócitos muito grandes que contêm uma grande quantidade de inclusões lípicas - poderiam corresponder a
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Expression, purification and crystallization of Streptococcus dysgalactiae-derived mitogen
International Nuclear Information System (INIS)
Papageorgiou, Anastassios C.; Saarinen, Susanna; Ramirez-Bartutis, Rosa; Kato, Hidehito; Uchiyama, Takehiko; Kirikae, Teruo; Miyoshi-Akiyama, Toru
2006-01-01
S. dysgalactiae-derived mitogen, a superantigen, was crystallized. Crystals diffract to 2.4 Å at a synchrotron-radiation source and belong to space group P3/P3 1 /P3 2 , with unit-cell parameters a = b = 52.7, c = 62.4 Å, γ = 120° and one molecule in the crystallographic asymmetric unit. Superantigens are bacterial or viral toxins with potent immunostimulatory properties. Streptococcus dysgalactiae-derived mitogen, a 25 kDa protein, is a recently discovered superantigen isolated from S. dysgalactiae culture supernatant. Sequence considerations suggest that it belongs to a new superantigen family distinct from other superantigens. The protein was expressed in Escherichia coli cells and purified to homogeneity. Crystals were grown at pH 4.2–4.4 in the presence of 18–20%(w/v) PEG 3350 and 0.4 M lithium nitrate. A complete data set to 2.4 Å resolution was collected from a single crystal at liquid-nitrogen temperatures using synchrotron radiation. The crystals belong to space group P3/P3 1 /P3 2 , with unit-cell parameters a = b = 52.7, c = 62.4 Å, γ = 120° and one molecule in the crystallographic asymmetric unit
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International Nuclear Information System (INIS)
Nozaki, Hiroshi; Fukano, Tatsuo; Ohta, Shingo; Seno, Yoshiki; Katagiri, Hironori; Jimbo, Kazuo
2012-01-01
Highlights: ► Cu 2 ZnSnS 4 thin films as a solar cell material were synthesized. ► The wavelength dependences of the diffraction intensity were measured. ► The crystal structures were clearly identified as kesterite structure for all samples. ► Crystal structure analysis revealed that the atomic compositions were Cu/(Zn + Sn) = 0.97 and Zn/Sn = 1.42 for the sample synthesized using stoichiometric amount of starting materials. - Abstract: The crystal structure of Cu 2 ZnSnS 4 (CZTS) thin films fabricated by vapor-phase sulfurization was determined using X-ray anomalous dispersion. High statistic synchrotron radiation X-ray diffraction data were collected from very small amounts of powder. By analyzing the wavelength dependencies of the diffraction peak intensities, the crystal structure was clearly identified as kesterite. Rietveld analysis revealed that the atomic composition deviated from stoichiometric composition, and the compositions were Cu/(Zn + Sn) = 0.97, and Zn/Sn = 1.42.
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International Nuclear Information System (INIS)
Bernardo-García, Noelia; Bartual, Sergio G.; Fulde, Marcus; Bergmann, Simone; Hermoso, Juan A.
2011-01-01
Phosphoglycerate kinase, a two-domain enzyme involved in the glycolytic pathway, has been crystallized. Both the N-terminal domain and a ternary complex of the full-length enzyme with substrates were crystallized by the sitting-drop vapour-diffusion method. Inclusion of the substrates was critical in order to obtain crystals of the full-length protein. Phosphoglycerate kinase (PGK) is a widespread two-domain enzyme that plays a critical role in the glycolytic pathway. Several glycolytic enzymes from streptococci have been identified as surface-exposed proteins that are involved in streptococcal virulence by their ability to bind host proteins. This binding allows pneumococcal cells to disseminate through the epithelial and endothelial layers. Crystallization of PGK from Streptococcus pneumoniae yielded orthorhombic crystals (space group I222, unit-cell parameters a = 62.73, b = 75.38, c = 83.63 Å). However, the unit cell of these crystals was not compatible with the presence of full-length PGK. Various analytical methods showed that only the N-terminal domain of PGK was present in the I222 crystals. The ternary complex of PGK with adenylyl imidodiphosphate (AMP-PNP) and 3-phospho-d-glycerate (3PGA) produced monoclinic crystals (space group P2 1 , unit-cell parameters a = 40.35, b = 78.23, c = 59.03 Å, β = 96.34°). Molecular replacement showed that this new crystal form contained full-length PGK, thereby indicating the relevance of including substrates in order to avoid proteolysis during the crystallization process
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Directory of Open Access Journals (Sweden)
M. Inam
2011-12-01
Full Text Available We report the observation of large changes in the electro-optical properties of nematic liquid crystal (NLC due to inclusion of small concentration of 10 nm diameter gold nanoparticles (GNPs. It is observed that GNPs lower switch-on voltage and also lower the relaxation frequency with applied voltage (AC field to NLC cell. These studies of GNP doped NLC cell have been done using optical interferometry and capacity measurement by impedance analyzer. The change in threshold voltage and relaxation frequency by doping GNPs in NLC is explained theoretically.
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Li, Han; Liang, Chao; Liu, Yingliang; Zhang, Yiqiang; Tong, Jincheng; Zuo, Weiwei; Xu, Shengang; Shao, Guosheng; Cao, Shaokui
2017-02-22
Grain boundaries act as rapid pathways for nonradiative carrier recombination, anion migration, and water corrosion, leading to low efficiency and poor stability of organometal halide perovskite solar cells (PSCs). In this work, the strategy suppressing the crystal grain boundaries is applied to improve the photovoltaic performance, especially moisture-resistant stability, with polyvinylammonium carbochain backbone covalently connecting the perovskite crystal grains. This cationic polyelectrolyte additive serves as nucleation sites and template for crystal growth of MAPbI 3 and afterward the immobilized adjacent crystal grains grow into the continuous compact, pinhole-free perovskite layer. As a result, the unsealed PSC devices, which are fabricated under low-temperature fabrication protocol with a proper content of polymer additive PVAm·HI, currently exhibit the maximum efficiency of 16.3%. Remarkably, these unsealed devices follow an "outside-in" corrosion mechanism and respectively retain 92% and 80% of the initial PCE value after being exposed under ambient environment for 50 days and 100 days, indicating the superiority of carbochain polymer additives in solving the long-term stability problem of PSCs.
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Solid-phase crystallization of amorphous silicon on ZnO:Al for thin-film solar cells
Energy Technology Data Exchange (ETDEWEB)
Becker, C.; Conrad, E.; Dogan, P.; Fenske, F.; Gorka, B.; Haenel, T.; Lee, K.Y.; Rau, B.; Ruske, F.; Weber, T.; Gall, S.; Rech, B. [Helmholtz-Zentrum Berlin fuer Materialien und Energie (formerly Hahn-Meitner-Institut Berlin), Kekulestr. 5, D-12489 Berlin (Germany); Berginski, M.; Huepkes, J. [Institute of Photovoltaics, Forschungszentrum Juelich GmbH, D-52425 Juelich (Germany)
2009-06-15
The suitability of ZnO:Al thin films for polycrystalline silicon (poly-Si) thin-film solar cell fabrication was investigated. The electrical and optical properties of 700 -nm-thick ZnO:Al films on glass were analyzed after typical annealing steps occurring during poly-Si film preparation. If the ZnO:Al layer is covered by a 30 nm thin silicon film, the initial sheet resistance of ZnO:Al drops from 4.2 to 2.2 {omega} after 22 h annealing at 600 C and only slightly increases for a 200 s heat treatment at 900 C. A thin-film solar cell concept consisting of poly-Si films on ZnO:Al coated glass is introduced. First solar cell results will be presented using absorber layers either prepared by solid-phase crystallization (SPC) or by direct deposition at 600 C. (author)
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Protein Crystal Recombinant Human Insulin
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.
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Growth and surface topography of WSe_2 single crystal
International Nuclear Information System (INIS)
Dixit, Vijay; Vyas, Chirag; Pataniya, Pratik; Jani, Mihir; Pathak, Vishal; Patel, Abhishek; Pathak, V. M.; Patel, K. D.; Solanki, G. K.
2016-01-01
Tungsten Di-Selenide belongs to the family of TMDCs showing their potential applications in the fields of Optoelectronics and PEC solar cells. Here in the present investigation single crystals of WSe_2 were grown by Direct Vapour Transport Technique in a dual zone furnace having temperature difference of 50 K between the two zones. These single crystals were characterized by EDAX which confirms the stiochiometry of the grown crystals. Surface topography of the crystal was studied by optical micrograph showing the left handed spirals on the surface of WSe_2 crystals. Single crystalline nature of the crystals was confirmed by SAED.
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Najeeb, Mansoor Ani; Ahmad, Zubair; Shakoor, R. A.; Alashraf, Abdulla; Bhadra, Jolly; Al-Thani, N. J.; Al-Muhtaseb, Shaheen A.; Mohamed, A. M. A.
2017-11-01
In this work, the MAPbBr3 perovskite crystals were grown and the interfacial properties of the poly-crystalline MAPbBr3 with Aluminum (Al) and Silver (Ag) contacts has been investigated. MAPbBr3 crystals are turned into the poly-crystalline pellets (PCP) using compaction technique and the Al/PCP, Al/interface layer/PCP, Ag/PCP, and Ag/interface layer/PCP contacts were investigated. Scanning Electron Microscopic (SEM), Energy-dispersive X-ray spectroscopy (EDX) and current-voltage (I-V) characteristic technique were used to have an insight of the degradation mechanism happening at the Metal/perovskite interface. The Ag/PCP contact appears to be stable, whereas Al is found to be highly reactive with the MAPbBr3 perovskite crystals due to the infiltration setback of Al in to the perovskite crystals. The interface layer showed a slight effect on the penetration of Al in to the perovskite crystals however it does not seem to be an appropriate solution. It is noteworthy that the stability of the underlying metal/perovskite contact is very crucial towards the perovskite solar cells with extended device lifetime.
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International Nuclear Information System (INIS)
Takeda, Kosei; Yoshida, Hiromi; Takada, Goro; Izumori, Ken; Kamitori, Shigehiro
2008-01-01
Recombinant B. pallidusd-arabinose isomerase was crystallized and diffraction data were collected to 2.3 Å resolution. d-Arabinose isomerase catalyzes the isomerization of d-arabinose to d-ribulose. Bacillus pallidusd-arabinose isomerase has broad substrate specificity and can catalyze the isomerization of d-arabinose, l-fucose, l-xylose, l-galactose and d-altrose. Recombinant B. pallidusd-arabinose isomerase was overexpressed, purified and crystallized. A crystal of the enzyme was obtained by the sitting-drop method at room temperature and belonged to the orthorhombic space group P2 1 2 1 2, with unit-cell parameters a = 144.9, b = 127.9, c = 109.5 Å. Diffraction data were collected to 2.3 Å resolution
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Band structures of two dimensional solid/air hierarchical phononic crystals
International Nuclear Information System (INIS)
Xu, Y.L.; Tian, X.G.; Chen, C.Q.
2012-01-01
The hierarchical phononic crystals to be considered show a two-order “hierarchical” feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.
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Band structures of two dimensional solid/air hierarchical phononic crystals
Energy Technology Data Exchange (ETDEWEB)
Xu, Y.L.; Tian, X.G. [State Key Laboratory for Mechanical Structure Strength and Vibration, Xi' an Jiaotong University, Xi' an 710049 (China); Chen, C.Q., E-mail: chencq@tsinghua.edu.cn [Department of Engineering Mechanics, AML and CNMM, Tsinghua University, Beijing 100084 (China)
2012-06-15
The hierarchical phononic crystals to be considered show a two-order 'hierarchical' feature, which consists of square array arranged macroscopic periodic unit cells with each unit cell itself including four sub-units. Propagation of acoustic wave in such two dimensional solid/air phononic crystals is investigated by the finite element method (FEM) with the Bloch theory. Their band structure, wave filtering property, and the physical mechanism responsible for the broadened band gap are explored. The corresponding ordinary phononic crystal without hierarchical feature is used for comparison. Obtained results show that the solid/air hierarchical phononic crystals possess tunable outstanding band gap features, which are favorable for applications such as sound insulation and vibration attenuation.
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Nanoparticles Doped, Photorefractive Liquid Crystals
National Research Council Canada - National Science Library
Kaczmarek, Malgosia
2005-01-01
...: The main objectives of this exploratory, short project will concern the study of the quality of liquid crystal cells with diluted suspensions of ferroelectric nanoparticles and their photorefractive properties...
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Influence of rubbing-alignment on microwave modulation induced by liquid crystal
Directory of Open Access Journals (Sweden)
Wenjiang Ye
2015-06-01
Full Text Available The microwave modulation induced by liquid crystal is decided by the liquid crystal director distribution under an external applied voltage. The rubbing-alignment of substrate has an effect on the liquid crystal director, which must result in the change of microwave phase-shift. To illustrate the influence of rubbing-alignment on the microwave phase-shift, the microwave modulation property of twisted nematic liquid crystal is researched adopting the elastic theory of liquid crystal and the finite-difference iterative method. The variations of microwave phase-shift per unit-length for different pre-tilt and pre-twist angles of liquid crystal on the substrate surface and anchoring energy strengths with the applied voltage are numerically simulated. The result indicates that with the increase of pre-tilt angle and with the decrease of anchoring energy strength the weak anchoring twisted cell with pre-twisted angle 90° relative to the strong anchoring non-twisted cell can increase the microwave phase-shift per unit-length. As a result, for achieving the maximum microwave modulation, the weak anchoring twisted cell with pre-tilt angle 5° and anchoring energy strength 1×10−5J/m2 should be selected, which provides a reliably theoretical foundation for the design of liquid crystal microwave modulator.
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International Nuclear Information System (INIS)
Girolamo, J. de
2007-11-01
This work is devoted to the elaboration of self-assembled hybrid materials based on poly(3- hexyl-thiophene) and CdSe nano-crystals for photovoltaic applications. For that, complementary molecular recognition units were introduced as side chain groups on the polymer and at the nano-crystals' surface. Diamino-pyrimidine groups were introduced by post-functionalization of a precursor copolymer, namely poly(3-hexyl-thiophene-co-3- bromo-hexyl-thiophene) whereas thymine groups were introduced at the nano-crystals' surface by a ligand exchange reaction with 1-(6-mercapto-hexyl)thymine. However, due to their different solubility, the mixing of the two components by solution processes is difficult. A 'one-pot' procedure was developed, but this method led to insoluble aggregates without control of the hybrid composition. To overcome the solubility problem, the layer-by-layer method was used to prepare the films. This method allows a precise control of the deposition process. Experimental parameters were tested in order to evaluate their impact on the resulting film. The films morphology was investigated by microscopy and X-Ray diffraction techniques. These analyses reveal an interpenetrated structure of nano-crystals within the polymer matrix rather than a multilayered structure. Electrochemical and spectro electrochemical studies were performed on the hybrid material deposited by the LBL process. Finally the materials were tested in a solar cell configuration and the I=f(V) curves reveals a clear photovoltaic behaviour. (author)
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Pressure sensor using liquid crystals
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.
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Energy Technology Data Exchange (ETDEWEB)
Levine, Lyle E. [National Institute of Standards and Technology (NIST); Larson, Ben C [ORNL; Yang, Wenge [Carnegie Institution of Washington; Kassner, Michael E. [University of Southern California; Tischler, Jonathan Zachary [ORNL; Delos-Reyes, Michael A. [University of Southern California; Fields, Richard J. [National Institute of Standards and Technology (NIST); Liu, Wenjun [Argonne National Laboratory (ANL)
2006-01-01
The distribution of elastic strains (and thus stresses) at the sub-micrometer length scale within deformed metal single crystals has surprisingly broad implications for our understanding of important physical phenomena. These include the evolution of the complex dislocation structures that govern mechanical behavior within individual grains [1-4], the transport of dislocations through such structures [5-7], changes in mechanical properties that occur during reverse loading [8-10] (e.g. sheet metal forming), and the analyses of diffraction line profiles for microstructural studies of these phenomena [11-17]. We present the first direct, spatially-resolved measurements of the elastic strains within individual dislocation cells in copper single crystals deformed in tension and compression along <100> axes. Broad distributions of elastic strains are found, with profound implications for theories of dislocation structure evolution [4,18], dislocation transport [5-7], and the extraction of dislocation parameters from X-ray line profiles [11-17,19].
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Expression, purification and crystallization of Streptococcus dysgalactiae-derived mitogen
Energy Technology Data Exchange (ETDEWEB)
Papageorgiou, Anastassios C., E-mail: tassos.papageorgiou@btk.fi; Saarinen, Susanna; Ramirez-Bartutis, Rosa [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland); Kato, Hidehito; Uchiyama, Takehiko [Department of Microbiology and Immunology, Tokyo Women’s Medical University, 8-1 Kawada-cho, Shinjuku-ku, Tokyo 162-8666 (Japan); Kirikae, Teruo; Miyoshi-Akiyama, Toru [Department of Infectious Diseases, International Medical Center of Japan, 1-21-1 Toyama, Shinjuku-ku, Tokyo 162-8655 (Japan); Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland)
2006-03-01
S. dysgalactiae-derived mitogen, a superantigen, was crystallized. Crystals diffract to 2.4 Å at a synchrotron-radiation source and belong to space group P3/P3{sub 1}/P3{sub 2}, with unit-cell parameters a = b = 52.7, c = 62.4 Å, γ = 120° and one molecule in the crystallographic asymmetric unit. Superantigens are bacterial or viral toxins with potent immunostimulatory properties. Streptococcus dysgalactiae-derived mitogen, a 25 kDa protein, is a recently discovered superantigen isolated from S. dysgalactiae culture supernatant. Sequence considerations suggest that it belongs to a new superantigen family distinct from other superantigens. The protein was expressed in Escherichia coli cells and purified to homogeneity. Crystals were grown at pH 4.2–4.4 in the presence of 18–20%(w/v) PEG 3350 and 0.4 M lithium nitrate. A complete data set to 2.4 Å resolution was collected from a single crystal at liquid-nitrogen temperatures using synchrotron radiation. The crystals belong to space group P3/P3{sub 1}/P3{sub 2}, with unit-cell parameters a = b = 52.7, c = 62.4 Å, γ = 120° and one molecule in the crystallographic asymmetric unit.
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Nickel-induced crystallization of amorphous silicon
Energy Technology Data Exchange (ETDEWEB)
Schmidt, J A; Arce, R D; Buitrago, R H [INTEC (CONICET-UNL), Gueemes 3450, S3000GLN Santa Fe (Argentina); Budini, N; Rinaldi, P, E-mail: jschmidt@intec.unl.edu.a [FIQ - UNL, Santiago del Estero 2829, S3000AOM Santa Fe (Argentina)
2009-05-01
The nickel-induced crystallization of hydrogenated amorphous silicon (a-Si:H) is used to obtain large grained polycrystalline silicon thin films on glass substrates. a-Si:H is deposited by plasma enhanced chemical vapour deposition at 200 deg. C, preparing intrinsic and slightly p-doped samples. Each sample was divided in several pieces, over which increasing Ni concentrations were sputtered. Two crystallization methods are compared, conventional furnace annealing (CFA) and rapid thermal annealing (RTA). The crystallization was followed by optical microscopy and scanning electron microscopy observations, X-ray diffraction, and reflectance measurements in the UV region. The large grain sizes obtained - larger than 100{mu}m for the samples crystallized by CFA - are very encouraging for the preparation of low-cost thin film polycrystalline silicon solar cells.
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Crystallization and preliminary X-ray diffraction analysis of West Nile virus
International Nuclear Information System (INIS)
Kaufmann, Bärbel; Plevka, Pavel; Kuhn, Richard J.; Rossmann, Michael G.
2010-01-01
Crystals of infectious West Nile virus were obtained and diffracted at best to about 25 Å resolution. Preliminary analysis of the diffraction pattern suggested tight hexagonal packing of the intact virus. West Nile virus, a human pathogen, is closely related to other medically important flaviviruses of global impact such as dengue virus. The infectious virus was purified from cell culture using polyethylene glycol (PEG) precipitation and density-gradient centrifugation. Thin amorphously shaped crystals of the lipid-enveloped virus were grown in quartz capillaries equilibrated by vapor diffusion. Crystal diffraction extended at best to a resolution of about 25 Å using synchrotron radiation. A preliminary analysis of the diffraction images indicated that the crystals had unit-cell parameters a ≃ b ≃ 480 Å, γ = 120°, suggesting a tight hexagonal packing of one virus particle per unit cell
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Transient Plasma Photonic Crystals for High-Power Lasers.
Lehmann, G; Spatschek, K H
2016-06-03
A new type of transient photonic crystals for high-power lasers is presented. The crystal is produced by counterpropagating laser beams in plasma. Trapped electrons and electrically forced ions generate a strong density grating. The lifetime of the transient photonic crystal is determined by the ballistic motion of ions. The robustness of the photonic crystal allows one to manipulate high-intensity laser pulses. The scheme of the crystal is analyzed here by 1D Vlasov simulations. Reflection or transmission of high-power laser pulses are predicted by particle-in-cell simulations. It is shown that a transient plasma photonic crystal may act as a tunable mirror for intense laser pulses. Generalizations to 2D and 3D configurations are possible.
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Taxol crystals can masquerade as stabilized microtubules.
Directory of Open Access Journals (Sweden)
Margit Foss
Full Text Available Taxol is a potent anti-mitotic drug used in chemotherapy, angioplastic stents, and cell biology research. By binding and stabilizing microtubules, Taxol inhibits their dynamics, crucial for cell division, motility, and survival. The drug has also been reported to induce formation of asters and bundles composed of stabilized microtubules. Surprisingly, at commonly used concentrations, Taxol forms crystals that rapidly bind fluorescent tubulin subunits, generating structures with an uncanny resemblance to microtubule asters and bundles. Kinetic and topological considerations suggest that tubulin subunits, rather than microtubules, bind the crystals. This sequestration of tubulin from the subunit pool would be expected to shift the equilibrium of free to polymerized tubulin to disfavor assembly. Our results imply that some previously reported Taxol-induced asters or bundles could include or be composed of tubulin-decorated Taxol crystals. Thus, reevaluation of certain morphological, chemical, and physical properties of Taxol-treated microtubules may be necessary. Moreover, our findings suggest a novel mechanism for chemotherapy-induced cytotoxicity in non-dividing cells, with far-reaching medical implications.
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Mukherjee, Kunal; Hayamizu, Yoshiaki; Kim, Chang Sub; Kolchina, Liudmila M; Mazo, Galina N; Istomin, Sergey Ya; Bishop, Sean R; Tuller, Harry L
2016-12-21
Highly textured thin films of undoped, Ce-doped, and Sr-doped Pr 2 CuO 4 were synthesized on single crystal YSZ substrates using pulsed laser deposition to investigate their area-specific resistance (ASR) as cathodes in solid-oxide fuel cells (SOFCs). The effects of T' and T* crystal structures, donor and acceptor doping, and a-axis and c-axis orientation on ASR were systematically studied using electrochemical impedance spectroscopy on half cells. The addition of both Ce and Sr dopants resulted in improvements in ASR in c-axis oriented films, as did the T* crystal structure with the a-axis orientation. Pr 1.6 Sr 0.4 CuO 4 is identified as a potential cathode material with nearly an order of magnitude faster oxygen reduction reaction kinetics at 600 °C compared to thin films of the commonly studied cathode material La 0.6 Sr 0.4 Co 0.8 Fe 0.2 O 3-δ . Orientation control of the cuprate films on YSZ was achieved using seed layers, and the anisotropy in the ASR was found to be less than an order of magnitude. The rare-earth doped cuprate was found to be a versatile system for study of relationships between bulk properties and the oxygen reduction reaction, critical for improving SOFC performance.
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Ion Density Analysis of Single-Stranded DNA in Liquid Crystal
Iwabata, Kazuki; Seki, Yasutaka; Toizumi, Ryota; Shimada, Yuki; Furue, Hirokazu; Sakaguchi, Kengo
2013-09-01
With the widespread use of liquid crystals (LCs) in liquid crystal displays, we have looked into the application of liquid crystals in biotechnology. The purpose of the study described here is to investigate the physical properties of DNA using LCs. Synthetic oligonucleotide molecules were dispersed in MLC6884, the sample injected into antiparallel cells, and the amount of mobile ions was measured. The LC cell doped with oligonucleotide molecules showed a sequence-dependent, specific correlation between oligonucleotide concentration and the amount of mobile ions in the LC cells. In the framework of the Stokes model and polyacrylamide gel electrophoresis (PAGE) analysis, we speculate that this result arises from the difference in ion mobility, which is caused by the shape of the oligonucleotide molecule in the LC.
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Crystallization of mouse S-adenosyl-l-homocysteine hydrolase
International Nuclear Information System (INIS)
Ishihara, Masaaki; Kusakabe, Yoshio; Ohsumichi, Tsuyoshi; Tanaka, Nobutada; Nakanishi, Masayuki; Kitade, Yukio; Nakamura, Kazuo T.
2010-01-01
Mouse S-adenosyl-l-homocysteine hydrolase has been crystallized in the presence of the reaction product adenosine. Diffraction data to 1.55 Å resolution were collected using synchrotron radiation. S-Adenosyl-l-homocysteine hydrolase (SAHH; EC 3.3.1.1) catalyzes the reversible hydrolysis of S-adenosyl-l-homocysteine to adenosine and l-homocysteine. For crystallographic investigations, mouse SAHH (MmSAHH) was overexpressed in bacterial cells and crystallized using the hanging-drop vapour-diffusion method in the presence of the reaction product adenosine. X-ray diffraction data to 1.55 Å resolution were collected from an orthorhombic crystal form belonging to space group I222 with unit-cell parameters a = 100.64, b = 104.44, c = 177.31 Å. Structural analysis by molecular replacement is in progress
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Maimoni, A.
1988-03-01
The literature on aluminum trihydroxide crystallization is reviewed and the implications of crystallization on the design and performance of the aluminum-air battery are illustrated. Results of research on hydrargillite crystallization under battery operating conditions at Alcoa Laboratories, Alcan Kingston Laboratories, and Lawrence Livermore National Laboratory are summarized and are applied to the design of an electrolyte management system using lamella settlers for clarification of the electrolyte and product separation. The design principles were validated in a series of experiments that, for the first time in the aluminum-air program, demonstrated continuous operation of an integrated system consisting of cells, crystallizer, and a product-removal system.
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Energy Technology Data Exchange (ETDEWEB)
Dudka, A. P., E-mail: dudka@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography, Federal Scientific Research Centre “Crystallography and Photonics” (Russian Federation)
2017-03-15
Accurate X-ray diffraction study of langasite (La{sub 3}Ga{sub 5}SiO{sub 14}) single crystal has been performed using the data obtained on a diffractometer equipped with a CCD area detector at 295 and 90.5 K. Within the known La{sub 3}Ga{sub 5}SiO{sub 14} model, Ga and Si cations jointly occupy the 2d site. A new model of a “multicell” consisting of two different unit cells is proposed. Gallium atoms occupy the 2d site in one of these cells, and silicon atoms occupy this site in the other cell; all other atoms correspondingly coordinate these cations. This structure implements various physical properties exhibited by langasite family crystals. The conclusions are based on processing four data sets obtained with a high resolution (sin θ/λ ≤ 1.35 Å{sup –1}), the results reproduced in repeated experiments, and the high relative precision of the study (sp. gr. P321, Z = 1; at 295 K, a = 8.1652(6) Å, c = 5.0958(5) Å, R/wR = 0.68/0.68%, 3927 independent reflections; at 90.5 K, a = 8.1559(4) Å, c = 5.0913(6) Å, R/wR = 0.92/0.93%, 3928 reflections).
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International Nuclear Information System (INIS)
Beck, Markus; Strand, Michael R.
2003-01-01
The family Polydnaviridae consists of ds-DNA viruses that are symbiotically associated with certain parasitoid wasps. PDVs are transmitted vertically but also are injected by wasps into hosts where they cause several physiological alterations including immunosuppression. The PDV genes responsible for mediating immunosuppression and other host alterations remain poorly characterized in large measure because viral mutants cannot be produced to study gene function. Here we report the use of RNA interference (RNAi) to specifically silence the glc1.8 and egf1.0 genes from Microplitis demolitor bracovirus (MdBV) in High Five cells derived from the lepidopteran Trichoplusia ni. Dose-response studies indicated that MdBV infects High Five cells and blocks the ability of these cells to adhere to culture plates. This response was very similar to what occurs in two classes of hemocytes, granular cells, and plasmatocytes, after infection by MdBV. Screening of monoclonal antibody (mAb) markers that distinguish different classes of lepidopteran hemocytes indicated that High Five cells cross-react with three mAbs that recognize granular cells from T. ni. Double-stranded RNA (dsRNA) complementary to glc1.8 specifically silenced glc1.8 expression and rescued the adhesive phenotype of High Five cells. Reciprocally, dsRNA complementary to egf1.0 silenced egf1.0 expression but had no effect on adhesion. The simplicity and potency of RNAi could be extremely useful for analysis of other PDV genes
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International Nuclear Information System (INIS)
Yu, Chao; Crispin, Max; Sonnen, Andreas F.-P.; Harvey, David J.; Chang, Veronica T.; Evans, Edward J.; Scanlan, Christopher N.; Stuart, David I.; Gilbert, Robert J. C.; Davis, Simon J.
2011-01-01
The α-mannosidase I inhibitor kifunensine inhibited N-glycan processing in long-term cultures of Chinese hamster ovary cells, allowing deglycosylation and crystallization of the homodimeric extracellular region of the inhibitory glycoprotein receptor CTLA-4 (CD152). Glycoproteins present problems for structural analysis since they often have to be glycosylated in order to fold correctly and because their chemical and conformational heterogeneity generally inhibits crystallization. It is shown that the α-mannosidase I inhibitor kifunensine, which has previously been used for the purpose of glycoprotein crystallization in short-term (3–5 d) cultures, is apparently stable enough to be used to produce highly endoglycosidase H-sensitive glycoprotein in long-term (3–4 week) cultures of stably transfected Chinese hamster ovary (CHO) cells. Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry-based analysis of the extracellular region of the cytotoxic T-lymphocyte antigen 4 (CTLA-4; CD152) homodimer expressed in long-term CHO cell cultures in the presence of kifunensine revealed that the inhibitor restricted CTLA-4 glycan processing to Man 9 GlcNAc 2 and Man 5 GlcNAc 2 structures. Complex-type glycans were undetectable, suggesting that the inhibitor was active for the entire duration of the cultures. Endoglycosidase treatment of the homodimer yielded protein that readily formed orthorhombic crystals with unit-cell parameters a = 43.9, b = 51.5, c = 102.9 Å and space group P2 1 2 1 2 1 that diffracted to Bragg spacings of 1.8 Å. The results indicate that kifunensine will be effective in most, if not all, transient and long-term mammalian cell-based expression systems
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Broadband sound blocking in phononic crystals with rotationally symmetric inclusions.
Lee, Joong Seok; Yoo, Sungmin; Ahn, Young Kwan; Kim, Yoon Young
2015-09-01
This paper investigates the feasibility of broadband sound blocking with rotationally symmetric extensible inclusions introduced in phononic crystals. By varying the size of four equally shaped inclusions gradually, the phononic crystal experiences remarkable changes in its band-stop properties, such as shifting/widening of multiple Bragg bandgaps and evolution to resonance gaps. Necessary extensions of the inclusions to block sound effectively can be determined for given incident frequencies by evaluating power transmission characteristics. By arraying finite dissimilar unit cells, the resulting phononic crystal exhibits broadband sound blocking from combinational effects of multiple Bragg scattering and local resonances even with small-numbered cells.
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Characteristics of withstanding radiation damage of InP crystals and devices
International Nuclear Information System (INIS)
Yamaguchi, Masafumi; Ando, Koshi
1988-01-01
Recently, the authors discovered that the characteristics of with standing radiation damage of InP crystals and devices (solar cells) are superior to those of Si and GaAs crystals and devices. Also the restoration phenomena at room temperature of radiation deterioration and the accelerated anneal phenomena by light irradiation and the injection of other minority, carriers in InP system devices were found. Such excellent characteristics suggested that InP devices are promising for the use in space. In this paper, taking an example of solar cells, the radiation resistance characteristics and their mechanism of InP crystals and devices are reported, based on the results of analysis by deep level transient spectroscopy and others. In InP solar cells, the high efficiency of photoelectric conversion was maintained even in the high dose irradiation of 1 MeV electron beam. As the carrier concentration in InP crystals is higher, they are stronger against radiation. With the increase of carrier concentration, the rate of anneal of radiation deterioration at room temperature increased. The accelerated anneal effect by minority carrier injection was remarkable in n + -p junction cells. The excellent characteristics of InP crystals are due to the formation of Frenkel defects of P and their instability. (K.I.)
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Chhana, Ashika; Callon, Karen E; Pool, Bregina; Naot, Dorit; Watson, Maureen; Gamble, Greg D; McQueen, Fiona M; Cornish, Jillian; Dalbeth, Nicola
2011-09-01
Bone erosion is a common manifestation of chronic tophaceous gout. To investigate the effects of monosodium urate monohydrate (MSU) crystals on osteoblast viability and function. The MTT assay and flow cytometry were used to assess osteoblast cell viability in the MC3T3-E1 and ST2 osteoblast-like cell lines, and primary rat and primary human osteoblasts cultured with MSU crystals. Quantitative real-time PCR and von Kossa stained mineralised bone formation assays were used to assess the effects of MSU crystals on osteoblast differentiation using MC3T3-E1 cells. The numbers of osteoblasts and bone lining cells were quantified in bone samples from patients with gout. MSU crystals rapidly reduced viability in all cell types in a dose-dependent manner. The inhibitory effect on cell viability was independent of crystal phagocytosis and was not influenced by differing crystal length or addition of serum. Long-term culture of MC3T3-E1 cells with MSU crystals showed a reduction in mineralisation and decreased mRNA expression of genes related to osteoblast differentiation such as Runx2, Sp7 (osterix), Ibsp (bone sialoprotein), and Bglap (osteocalcin). Fewer osteoblast and lining cells were present on bone directly adjacent to gouty tophus than bone unaffected by tophus in patients with gout. MSU crystals have profound inhibitory effects on osteoblast viability and differentiation. These data suggest that bone erosion in gout occurs at the tophus-bone interface through alteration of physiological bone turnover, with both excessive osteoclast formation, and reduced osteoblast differentiation from mesenchymal stem cells.
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Crystallization of the class IV adenylyl cyclase from Yersinia pestis
International Nuclear Information System (INIS)
Smith, Natasha; Kim, Sook-Kyung; Reddy, Prasad T.; Gallagher, D. Travis
2006-01-01
The class IV adenylyl cyclase from Y. pestis has been crystallized in an orthorhombic form suitable for structure determination. The class IV adenylyl cyclase from Yersinia pestis has been cloned and crystallized in both a triclinic and an orthorhombic form. An amino-terminal His-tagged construct, from which the tag was removed by thrombin, crystallized in a triclinic form diffracting to 1.9 Å, with one dimer per asymmetric unit and unit-cell parameters a = 33.5, b = 35.5, c = 71.8 Å, α = 88.7, β = 82.5, γ = 65.5°. Several mutants of this construct crystallized but diffracted poorly. A non-His-tagged native construct (179 amino acids, MW = 20.5 kDa) was purified by conventional chromatography and crystallized in space group P2 1 2 1 2 1 . These crystals have unit-cell parameters a = 56.8, b = 118.6, c = 144.5 Å, diffract to 3 Å and probably have two dimers per asymmetric unit and V M = 3.0 Å 3 Da −1 . Both crystal forms appear to require pH below 5, complicating attempts to incorporate nucleotide ligands into the structure. The native construct has been produced as a selenomethionine derivative and crystallized for phasing and structure determination
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Zhang, Teng; Zou, Qi; Zeng, Fanrong; Wang, Shaorong; Tang, Dian; Yang, Hiswen
2012-10-01
The chemical compatibility of sealing glass is of great importance for Solid oxide fuel cell (SOFC). In this work, the interfacial reaction between sealing glass and Cr-containing interconnect alloy is characterized by reacting Cr2O3 powders with a representative SrO-containing glass crystallized by different heat-treatment schedules. The crystalline structure and crystalline content of sealing glass are determined by X-ray diffraction. The results show that the fraction of Cr6+ decreases from 39.8 ± 1.9% for quenched glass to 8.2 ± 0.4% for glass crystallized at 900 °C for 2 h. In addition, the interfacial reaction can be further reduced with increasing crystallization temperature and time as well as the addition of nucleation agent (TiO2). The formation of some Sr-containing crystalline phases, Sr2SiO4 and Sr(TiO3), contributes to the improvement of chemical compatibility of sealing glass, in agreement with the results of thermodynamic calculations.
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Isolation, crystallization and crystal structure determination of bovine kidney Na(+),K(+)-ATPase.
Gregersen, Jonas Lindholt; Mattle, Daniel; Fedosova, Natalya U; Nissen, Poul; Reinhard, Linda
2016-04-01
Na(+),K(+)-ATPase is responsible for the transport of Na(+) and K(+) across the plasma membrane in animal cells, thereby sustaining vital electrochemical gradients that energize channels and secondary transporters. The crystal structure of Na(+),K(+)-ATPase has previously been elucidated using the enzyme from native sources such as porcine kidney and shark rectal gland. Here, the isolation, crystallization and first structure determination of bovine kidney Na(+),K(+)-ATPase in a high-affinity E2-BeF3(-)-ouabain complex with bound magnesium are described. Crystals belonging to the orthorhombic space group C2221 with one molecule in the asymmetric unit exhibited anisotropic diffraction to a resolution of 3.7 Å with full completeness to a resolution of 4.2 Å. The structure was determined by molecular replacement, revealing unbiased electron-density features for bound BeF3(-), ouabain and Mg(2+) ions.
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Dimasi, Nazzareno; Moretta, Lorenzo; Biassoni, Roberto; Mariuzza, Roy A
2003-10-01
p75/AIRM1 (Siglec-7) is a sialic acid-binding Ig-like lectin recently identified as an inhibitory receptor on natural killer cells. The expression, in vitro folding, circular-dichroism spectroscopy, crystallization and preliminary X-ray characterization of the Ig-V like domain of p75/AIRM1 are reported. X-ray data were collected from a single crystal at 100 K, with a maximum useful diffraction pattern extending to 1.45 A resolution on a synchrotron source. The crystal belongs to a primitive monoclinic space group, with unit-cell parameters a = 32.65, b = 49.72, c = 39.79 A, alpha = gamma = 90, beta = 113 degrees. The systematic absences indicate that the space group is P2(1). Assuming one molecule per asymmetric unit, V(M) (the Matthews coefficient) was calculated to be 1.879 A(3) Da(-1) and the solvent content was estimated to be 32.01%.
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Crystallization mechanisms of acicular crystals
Puel, François; Verdurand, Elodie; Taulelle, Pascal; Bebon, Christine; Colson, Didier; Klein, Jean-Paul; Veesler, Stéphane
2008-01-01
In this contribution, we present an experimental investigation of the growth of four different organic molecules produced at industrial scale with a view to understand the crystallization mechanism of acicular or needle-like crystals. For all organic crystals studied in this article, layer-by-layer growth of the lateral faces is very slow and clear, as soon as the supersaturation is high enough, there is competition between growth and surface-activated secondary nucleation. This gives rise to pseudo-twinned crystals composed of several needle individuals aligned along a crystallographic axis; this is explained by regular over- and inter-growths as in the case of twinning. And when supersaturation is even higher, nucleation is fast and random. In an industrial continuous crystallization, the rapid growth of needle-like crystals is to be avoided as it leads to fragile crystals or needles, which can be partly broken or totally detached from the parent crystals especially along structural anisotropic axis corresponding to weaker chemical bonds, thus leading to slower growing faces. When an activated mechanism is involved such as a secondary surface nucleation, it is no longer possible to obtain a steady state. Therefore, the crystal number, size and habit vary significantly with time, leading to troubles in the downstream processing operations and to modifications of the final solid-specific properties. These results provide valuable information on the unique crystallization mechanisms of acicular crystals, and show that it is important to know these threshold and critical values when running a crystallizer in order to obtain easy-to-handle crystals.
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Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures
Yannopapas, Vassilios
2015-01-01
We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional ...
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Studying the properties of photonic quasi-crystals by the scaling convergence method
International Nuclear Information System (INIS)
Ho, I-Lin; Ng, Ming-Yaw; Mai, Chien Chin; Ko, Peng Yu; Chang, Yia-Chung
2013-01-01
This work introduces the iterative scaling (or inflation) method to systematically approach and analyse the infinite structure of quasi-crystals. The resulting structures preserve local geometric orderings in order to prevent artificial disclination across the boundaries of super-cells, with realistic quasi-crystals coming out under high iteration (infinite super-cell). The method provides an easy way for decorations of quasi-crystalline lattices, and for compact reliefs with a quasi-periodic arrangement to underlying applications. Numerical examples for in-plane and off-plane properties of square-triangle quasi-crystals show fast convergence during iteratively geometric scaling, revealing characteristics that do not appear on regular crystals. (paper)
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Stretched inverse opal colloid crystal substrates-induced orientation of fibroblast
International Nuclear Information System (INIS)
Wang, Y C; Tang, Z M; Feng, Z Q; Xie, Z Y; Gu, Z Z
2010-01-01
Recently, there has been increasing interest in studying the interaction between mammalian cells and nanometer-sized structures. However, the effect of nanostructures on cell behavior, such as cell morphology and alignment, is still largely unknown. Inverse opal colloid crystal substrates, which can be stretched to produce nano-scale pore structures of different degrees of orientation, serve as a convenient model system to study the effect of nanotopography on cell morphology and cell alignment. In this work, we fabricated inverse opal colloidal crystal films that were either unstretched or stretched to three, four or six times their original length, producing pore structures of increasing degree of orientation. Human dermal fibroblast-fetal (HDF-f) cells were seeded and cultured on these four types of substrates. The results from fluorescence microscopy and scanning electron microscopy indicated that cells showed the highest degree of alignment when cultured on inverse opal colloid crystal films that were stretched the most (six times original length). The results also demonstrated that the orientation of nanostructures could affect both the morphology and growth direction of fibroblasts. The ability to control the direction of cell growth through the engineering of nanostructures could have important applications in tissue engineering, especially for tissues with anisotropic structures, such as cardiac muscle, blood vessel, tendon and ligament.
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Stretched inverse opal colloid crystal substrates-induced orientation of fibroblast
Energy Technology Data Exchange (ETDEWEB)
Wang, Y C; Tang, Z M; Feng, Z Q; Xie, Z Y; Gu, Z Z, E-mail: gu@seu.edu.c [State Key Laboratory of Bioelectronics, Southeast University, Nanjing 210096 (China)
2010-06-01
Recently, there has been increasing interest in studying the interaction between mammalian cells and nanometer-sized structures. However, the effect of nanostructures on cell behavior, such as cell morphology and alignment, is still largely unknown. Inverse opal colloid crystal substrates, which can be stretched to produce nano-scale pore structures of different degrees of orientation, serve as a convenient model system to study the effect of nanotopography on cell morphology and cell alignment. In this work, we fabricated inverse opal colloidal crystal films that were either unstretched or stretched to three, four or six times their original length, producing pore structures of increasing degree of orientation. Human dermal fibroblast-fetal (HDF-f) cells were seeded and cultured on these four types of substrates. The results from fluorescence microscopy and scanning electron microscopy indicated that cells showed the highest degree of alignment when cultured on inverse opal colloid crystal films that were stretched the most (six times original length). The results also demonstrated that the orientation of nanostructures could affect both the morphology and growth direction of fibroblasts. The ability to control the direction of cell growth through the engineering of nanostructures could have important applications in tissue engineering, especially for tissues with anisotropic structures, such as cardiac muscle, blood vessel, tendon and ligament.
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Synthesis and Single Crystal X-Ray Structure Determination of 3,3',5 ...
African Journals Online (AJOL)
Single crystal structure determination at 100 K revealed needle-like crystals in an orthorhombic crystal system. The asymmetric unit of the cell consists of an isolated chloride ion, one half of a tetrahedral [MnCl4]2- anion, a [H2Me4bpz]2+ dication and one half of a molecule of water. Keywords: Crystal Engineering, Hydrogen ...
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Production, purification, crystallization and structure determination of H-1 Parvovirus
International Nuclear Information System (INIS)
Halder, Sujata; Nam, Hyun-Joo; Govindasamy, Lakshmanan; Vogel, Michèle; Dinsart, Christiane; Salomé, Nathalie; McKenna, Robert; Agbandje-McKenna, Mavis
2012-01-01
The production, purification, crystallization and crystallographic analysis of H-1 Parvovirus, a gene-therapy vector, are reported. Crystals of H-1 Parvovirus (H-1PV), an antitumor gene-delivery vector, were obtained for DNA-containing capsids and diffracted X-rays to 2.7 Å resolution using synchrotron radiation. The crystals belonged to the monoclinic space group P2 1 , with unit-cell parameters a = 255.4, b = 350.4, c = 271.6 Å, β = 90.34°. The unit cell contained two capsids, with one capsid per crystallographic asymmetric unit. The H-1PV structure has been determined by molecular replacement and is currently being refined
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2D director calculation for liquid crystal optical phased array
International Nuclear Information System (INIS)
Xu, L; Zhang, J; Wu, L Y
2005-01-01
A practical numerical model for a liquid crystal cell is set up based on the geometrical structure of liquid crystal optical phased arrays. Model parameters include width and space of electrodes, thickness of liquid crystal layer, alignment layers and glass substrates, pre-tilted angles, dielectric constants, elastic constants and so on. According to electrostatic field theory and Frank-Oseen elastic continuum theory, 2D electric potential distribution and 2D director distribution are calculated by means of the finite difference method on non-uniform grids. The influence of cell sizes on director distribution is analyzed. The fringe field effect between electrodes is also discussed
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International Nuclear Information System (INIS)
Grujic, Ognjen; Grigg, Michael E.; Boulanger, Martin J.
2008-01-01
Preliminary X-ray diffraction studies of the bradyzoite-specific surface antigen BSR4 from T. gondii are described. Toxoplasma gondii is an important global pathogen that infects nearly one third of the world’s adult population. A family of developmentally expressed structurally related surface-glycoprotein adhesins (SRSs) mediate attachment to and are utilized for entry into host cells. The latent bradyzoite form of T. gondii persists for the life of the host and expresses a distinct family of SRS proteins, of which the bradyzoite-specific antigen BSR4 is a prototypical member. Structural studies of BSR4 were initiated by first recombinantly expressing BSR4 in insect cells, which was followed by crystallization and preliminary X-ray data collection to 1.95 Å resolution. Data processing showed that BSR4 crystallized with one molecule in the asymmetric unit of the P4 1 2 1 2 or P4 3 2 1 2 space group, with a solvent content of 60% and a corresponding Matthews coefficient of 2.98 Å 3 Da −1
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Crystal growth and mechanical hardness of In{sub 2}Se{sub 2.7}Sb{sub 0.3} single crystal
Energy Technology Data Exchange (ETDEWEB)
Patel, Piyush, E-mail: piyush-patel130@yahoo.com; Vyas, S. M., E-mail: s-m-vyas-gu@hotmail.com; Patel, Vimal; Pavagadhi, Himanshu [Department of Physics, School of Science, Gujarat University, Ahmedabad, Gujarat, India-380009 (India); Solanki, Mitesh [panditdindayal Petroleum University, Gandhinagar. Gujarat (India); Jani, Maunik P. [BITS Edu Campus, Varnama, Vadodara, Gujarat (India)
2015-08-28
The III-VI compound semiconductors is important for the fabrication of ionizing radiation detectors, solid-state electrodes, and photosensitive heterostructures, solar cell and ionic batteries. In this paper, In{sub 2}Se{sub 2.7} Sb{sub 0.3} single crystals were grown by the Bridgman method with temperature gradient of 60 °C/cm and the growth velocity 0.5cm/hr. The as-grown crystals were examined under the optical microscope for surface study, a various growth features observed on top free surface of the single crystal which is predominant of layers growth mechanism. The lattice parameters of as-grown crystal was determined by the XRD analysis. A Vickers’ projection microscope were used for the study of microhardness on the as-cleaved, cold-worked and annealed samples of the crystals, the results were discussed, and reported in detail.
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Kawai, Kotaro; Kuzuwata, Mitsuru; Sasaki, Tomoyuki; Noda, Kohei; Kawatsuki, Nobuhiro; Ono, Hiroshi
2014-12-01
Blazed vector grating liquid crystal (LC) cells, in which the directors of low-molar-mass LCs are antisymmetrically distributed, were fabricated by one-step exposure of an empty glass cell inner-coated with a photocrosslinkable polymer LC (PCLC) to UV light. By adopting a LC cell structure, twisted nematic (TN) and homogeneous (HOMO) alignments were obtained in the blazed vector grating LC cells. Moreover, the diffraction efficiency of the blazed vector grating LC cells was greatly improved by increasing the thickness of the device in comparison with that of a blazed vector grating with a thin film structure obtained in our previous study. In addition, the diffraction efficiency and polarization states of ±1st-order diffracted beams from the resultant blazed vector grating LC cells were controlled by designing a blazed pattern in the alignment films, and these diffraction properties were well explained on the basis of Jones calculus and the elastic continuum theory of nematic LCs.
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Growth of the (001) face of borax crystals
Suharso, Suharso
2010-01-01
he growth rates of borax crystals from aqueous solutions in the (001) direction at various relative supersaturations were measured using in situ cell optical microscopy method. The result shows that the growth mechanism of the (001) face of borax crystal at temperature of 20 °C is spiral growth mechanism. Keywords: Growth mechanism, borax.
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Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering
Shi, Dong
2016-04-15
We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.
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Xu, Hongwei; Dong, Biao; Xiao, Qiaoqin; Sun, Xueke; Zhang, Xinran; Lyu, Jiekai; Yang, Yudan; Xu, Lin; Bai, Xue; Zhang, Shuang; Song, Hongwei
2017-09-13
Artificial fractal structures have attracted considerable scientific interest in circulating tumor cells (CTCs) detection and capture, which plays a pivotal role in the diagnosis and prognosis of cancer. Herein, we designed a bionic TiO 2 inverse opal photonic crystal (IOPC) structure for highly efficient immunocapture of CTCs by combination of a magnetic Fe 3 O 4 @C6@silane nanoparticles with anti-EpCAM (antiepithelial cell adhesion molecule) and microchannel structure. Porous structure and dimension of IOPC TiO 2 can be precisely controlled for mimicking cellular components, and anti-EpCAM antibody was further modified on IOPC interface by conjugating with polydopamine (PDA). The improvement of CTCs capture efficiency reaches a surprising factor of 20 for the IOPC interface compared to that on flat glass, suggesting that the IOPCs are responsible for the dramatic enhancement of the capture efficiency of MCF-7 cells. IOPC substrate with pore size of 415 nm leads to the optimal CTCs capture efficiency of 92% with 1 mL/h. Besides the cell affinity, IOPCs also have the advantage of light scattering property which can enhance the excitation and emission light of fluorescence labels, facilitating the real-time monitoring of CTCs capture. The IOPC-based platform demonstrates excellent performance in CTCs capture, which will take an important step toward specific recognition of disease-related rare cells.
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International Nuclear Information System (INIS)
Azhazha, V.M.; Ladygin, A.N.; Sverdlov, V.Ja.; Zhemanyuk, P.D.; Klochikhin, V.V.
2005-01-01
The structure and microhardness of single crystals of nickel-tungsten alloys containing 25-36 wt % W are investigated. The temperature gradient at the crystallization front and the velocity of the crystallization front are the variable parameters of directional crystallization. It is found that, when the velocity of the crystallization front is 4 mm/min, the morphology of the cellular structure of the single crystals grown from nickel-tungsten alloys changes from square cells to hexagonal cells at a tungsten content of greater than or equal to 31 wt %. As the velocity of the crystallization front increases to 10 mm/min, no morphological transition occurs. It is shown that impurities play an important role in the formation of a cellular structure with cells of different types
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Four crystal forms of a Bence-Jones protein
International Nuclear Information System (INIS)
Makino, Debora L.; Henschen-Edman, Agnes H.; McPherson, Alexander
2004-01-01
Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 y ago. The trigonal crystal form may shed some light on the formation of fibrils common to certain storage diseases. Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 years ago. Closely related tetragonal and orthorhombic forms belonging to space groups P4 3 2 1 2 and P2 1 2 1 2 1 , with unit-cell parameters a = b = 68.7, c = 182.1 and a = 67.7, b = 69.4, c = 87.3 Å, diffract to 1.5 and 1.9 Å, respectively. Two closely related trigonal forms, both belonging to space group P3 1 21 with unit-cell parameters a = b = 154.3 Å but differing by a doubling of the c axis, one 46.9 Å and the other 94.0 Å, diffract to 2.9 and 2.6 Å resolution, respectively. The trigonal crystal of short c-axis length shows a positive indication of twinning. The trigonal crystal of longer c axis, which appeared only after eight months of incubation at room temperature, is likely to be composed of proteolytically degraded molecules and unlike the other crystal forms contains two entire Bence-Jones dimers in the asymmetric unit. This latter crystal form may shed some light on the formation of fibrils common to certain storage diseases
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International Nuclear Information System (INIS)
Nikuradse, A.; Weidner, J.
1974-01-01
Analytic expressions for the intensity distribution of a molecular beam reflected by a solid surface which consists of face centered cubic elementary cells have been studied. One has also tried to study the influence of the spatial distribution of the elementary crystal cells on the intensity of reflection. Some curves which had been evaluated and designed by a computer are now published. The Kratzer potential of interaction has alway been supposed [fr
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DEFF Research Database (Denmark)
Luo, Jiangshui; Jensen, Annemette Hindhede; Brooks, Neil R.
2015-01-01
1,2,4-Triazolium perfluorobutanesulfonate (1), a novel, pure protic organic ionic plastic crystal (POIPC) with a wide plastic crystalline phase, has been explored as a proof-of-principle anhydrous proton conductor for all-solid-state high temperature hydrogen/air fuel cells. Its physicochemical p...
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Study on the light leakage mechanism of a blue phase liquid crystal cell with oblique interfaces
International Nuclear Information System (INIS)
Yoon, Sukin; Jeong, Heon; Lee, Seung Hee; Yang, Gyu Hyung; Nayek, Prasenjit; Hong, Seung Ho; Lee, Hyeok Jin; Shin, Sung-Tae
2012-01-01
The mechanism of light leakage in the dark state of a blue phase liquid crystal display cell which has protruded electrodes was investigated. We have performed a hybrid numerical simulation by combining the geometrical optics with the extended Jones matrix method. The light leakage in the cell was caused by changes in the polarization state which has been explained by the asymmetric amplitude change of transverse electric and transverse magnetic fields at the oblique interface and the change in an effective angle between crossed polarizers by the light path refraction. Based on our analysis, light leakage can be suppressed by the matching of the refractive indices of adjacent materials to the interface of the protruded electrodes whose surfaces are not parallel to the substrate. (paper)
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Fast high-pressure freezing of protein crystals in their mother liquor
International Nuclear Information System (INIS)
Burkhardt, Anja; Warmer, Martin; Panneerselvam, Saravanan; Wagner, Armin; Zouni, Athina; Glöckner, Carina; Reimer, Rudolph; Hohenberg, Heinrich; Meents, Alke
2012-01-01
Protein crystals were vitrified using high-pressure freezing in their mother liquor at 210 MPa and 77 K without cryoprotectants or oil coating. The method was successfully applied to photosystem II, which is representative of a membrane protein with a large unit cell and weak crystal contacts. High-pressure freezing (HPF) is a method which allows sample vitrification without cryoprotectants. In the present work, protein crystals were cooled to cryogenic temperatures at a pressure of 210 MPa. In contrast to other HPF methods published to date in the field of cryocrystallography, this protocol involves rapid sample cooling using a standard HPF device. The fast cooling rates allow HPF of protein crystals directly in their mother liquor without the need for cryoprotectants or external reagents. HPF was first attempted with hen egg-white lysozyme and cubic insulin crystals, yielding good to excellent diffraction quality. Non-cryoprotected crystals of the membrane protein photosystem II have been successfully cryocooled for the first time. This indicates that the presented HPF method is well suited to the vitrification of challenging systems with large unit cells and weak crystal contacts
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Trapping crystal nucleation of cholesterol monohydrate
DEFF Research Database (Denmark)
Solomonov, I.; Weygand, M.J.; Kjær, K.
2005-01-01
Crystalline nucleation of cholesterol at the air-water interface has been studied via grazing incidence x-ray diffraction using synchrotron radiation. The various stages of cholesterol molecular assembly from monolayer to three bilayers incorporating interleaving hydrogen-bonded water layers......, at least initially, an intralayer cholesterol rearrangement in a single-crystal-to-single-crystal transition. The preferred nucleation of the monoclinic phase of cholesterol . H2O followed by transformation to the stable monohydrate phase may be associated with an energetically more stable cholesterol...... bilayer arrangement of the former and a more favorable hydrogen-bonding arrangement of the latter. The relevance of this nucleation process of cholesterol monohydrate to pathological crystallization of cholesterol from cell biomembranes is discussed....
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Crystallization and preliminary X-ray structural studies of a Melan-A pMHC–TCR complex
International Nuclear Information System (INIS)
Yuan, Fang; Georgiou, Theonie; Hillon, Theresa; Gostick, Emma; Price, David A.; Sewell, Andrew K.; Moysey, Ruth; Gavarret, Jessie; Vuidepot, Annelise; Sami, Malkit; Bell, John I.; Gao, George F.; Rizkallah, Pierre J.; Jakobsen, Bent K.
2007-01-01
A preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Melanocytes are specialized pigmented cells that are found in all healthy skin tissue. In certain individuals, diseased melanocytes can form malignant tumours, melanomas, which cause the majority of skin-cancer-related deaths. The melanoma-associated antigenic peptides are presented on cell surfaces via the class I major histocompatibility complex (MHC). Among the melanoma-associated antigens, the melanoma self-antigen A/melanoma antigen recognized by T cells (Melan-A/MART-1) has attracted attention because of its wide expression in primary and metastatic melanomas. Here, a preliminary X-ray crystal structural study of a soluble cognate T-cell receptor (TCR) in complex with a pMHC presenting the Melan-A peptide (ELAGIGILTV) is reported. The TCR and pMHC were refolded, purified and mixed together to form complexes, which were crystallized using the sitting-drop vapour-diffusion method. Single TCR–pMHC complex crystals were cryocooled and used for data collection. Diffraction data showed that these crystals belonged to space group P4 1 /P4 3 , with unit-cell parameters a = b = 120.4, c = 81.6 Å. A complete data set was collected to 3.1 Å and the structure is currently being analysed
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Crystallization of Δ1-tetrahydrocannabinolic acid (THCA) synthase from Cannabis sativa
International Nuclear Information System (INIS)
Shoyama, Yoshinari; Takeuchi, Ayako; Taura, Futoshi; Tamada, Taro; Adachi, Motoyasu; Kuroki, Ryota; Shoyama, Yukihiro; Morimoto, Satoshi
2005-01-01
Δ 1 -Tetrahydrocannabinolic acid (THCA) synthase from C. sativa was crystallized. The crystal diffracted to 2.7 Å resolution with sufficient quality for further structure determination. Δ 1 -Tetrahydrocannabinolic acid (THCA) synthase is a novel oxidoreductase that catalyzes the biosynthesis of the psychoactive compound THCA in Cannabis sativa (Mexican strain). In order to investigate the structure–function relationship of THCA synthase, this enzyme was overproduced in insect cells, purified and finally crystallized in 0.1 M HEPES buffer pH 7.5 containing 1.4 M sodium citrate. A single crystal suitable for X-ray diffraction measurement was obtained in 0.09 M HEPES buffer pH 7.5 containing 1.26 M sodium citrate. The crystal diffracted to 2.7 Å resolution at beamline BL41XU, SPring-8. The crystal belonged to the primitive cubic space group P432, with unit-cell parameters a = b = c = 178.2 Å. The calculated Matthews coefficient was approximately 4.1 or 2.0 Å 3 Da −1 assuming the presence of one or two molecules of THCA synthase in the asymmetric unit, respectively
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Directory of Open Access Journals (Sweden)
Chia-Hua Yu
2017-10-01
Full Text Available This work demonstrates a simple approach for obtaining a well-aligned uniform lying helix (ULH texture and a tri-bistable feature at ambient temperature in a typical 90°-twisted cell filled with a short-pitch cholesteric liquid crystal. This ULH texture is obtained at room temperature from initially field-induced helix-free homeotropic state by gradually decreasing the applied voltage. Depending on the way and rate of reducing the voltage, three stable states (i.e., Grandjean planar, focal conic, and ULH are generated and switching between any two of them is realized. Moreover, the electrical operation of the cell in the ULH state enables the tunability in phase retardation via the deformation of the ULH. The observations made in this work may be useful for applications such as tunable phase modulators and energy-efficient photonic devices.
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Kim, Min Su; Bos, Philip J; Kim, Dong-Woo; Yang, Deng-Ke; Lee, Joong Hee; Lee, Seung Hee
2016-10-12
Technology of displaying static images in portable displays, advertising panels and price tags pursues significant reduction in power consumption and in product cost. Driving at a low-frequency electric field in fringe-field switching (FFS) mode can be one of the efficient ways to save powers of the recent portable devices, but a serious drop of image-quality, so-called image-flickering, has been found in terms of the coupling of elastic deformation to not only quadratic dielectric effect but linear flexoelectric effect. Despite of the urgent requirement of solving the issue, understanding of such a phenomenon is yet vague. Here, we thoroughly analyze and firstly report the flexoelectric effect in in-plane switching (IPS) liquid crystal cell. The effect takes place on the area above electrodes due to splay and bend deformations of nematic liquid crystal along oblique electric fields, so that the obvious spatial shift of the optical transmittance is experimentally observed and is clearly demonstrated based on the relation between direction of flexoelectric polarization and electric field polarity. In addition, we report that the IPS mode has inherent characteristics to solve the image-flickering issue in the low-power consumption display in terms of the physical property of liquid crystal material and the electrode structure.
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The finite-size effect in thin liquid crystal systems
Śliwa, I.
2018-05-01
Effects of surface ordering in liquid crystal systems confined between cell plates are of great theoretical and experimental interest. Liquid crystals introduced in thin cells are known to be strongly stabilized and ordered by cell plates. We introduce a new theoretical method for analyzing the effect of surfaces on local molecular ordering in thin liquid crystal systems with planar geometry of the smectic layers. Our results show that, due to the interplay between pair long-range intermolecular forces and nonlocal, relatively short-range, surface interactions, both orientational and translational orders of liquid crystal molecules across confining cells are very complex. In particular, it is demonstrated that the SmA, nematic, and isotropic phases can coexist. The phase transitions from SmA to nematic, as well as from nematic to isotropic phases, occur not simultaneously in the whole volume of the system but begin to appear locally in some regions of the LC sample. Phase transition temperatures are demonstrated to be strongly affected by the thickness of the LC system. The dependence of the corresponding shifts of phase transition temperatures on the layer number is shown to exhibit a power law character. This new type of scaling behavior is concerned with the coexistence of local phases in finite systems. The influence of a specific character of interactions of molecules with surfaces and other molecules on values of the resulting critical exponents is also analyzed.
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Crystallization of Doc and the Phd–Doc toxin–antitoxin complex
International Nuclear Information System (INIS)
Garcia-Pino, Abel; Dao-Thi, Minh-Hoa; Gazit, Ehud; Magnuson, Roy David; Wyns, Lode; Loris, Remy
2008-01-01
Crystals of bacteriophage P1 Doc were grown in the free state, in complex with a 22-amino-acid C-terminal peptide of Phd and in complex with full-length Phd. The phd/doc addiction system is responsible for the stable inheritance of lysogenic bacteriophage P1 in its plasmidic form in Escherichia coli and is the archetype of a family of bacterial toxin–antitoxin modules. The His66Tyr mutant of Doc (Doc H66Y ) was crystallized in space group P2 1 , with unit-cell parameters a = 53.1, b = 198.0, c = 54.1 Å, β = 93.0°. These crystals diffracted to 2.5 Å resolution and probably contained four dimers of Doc in the asymmetric unit. Doc H66Y in complex with a 22-amino-acid C-terminal peptide of Phd (Phd 52-73Se ) was crystallized in space group C2, with unit-cell parameters a = 111.1, b = 38.6, c = 63.3 Å, β = 99.3°, and diffracted to 1.9 Å resolution. Crystals of the complete wild-type Phd–Doc complex belonged to space group P3 1 21 or P3 2 21, had an elongated unit cell with dimensions a = b = 48.9, c = 354.9 Å and diffracted to 2.4 Å resolution using synchrotron radiation
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International Nuclear Information System (INIS)
Ferguson, I.F.; Rogerson, A.H.
1984-01-01
The program, FIRESTAR, determines the dimensions of a crystallographic unit cell from a set of X-ray powder diffraction measurements corresponding to a set of Bragg reflections, provided that the crystal system applicable is known and the Bragg reflections have been indexed. The program includes a range of possible extrapolation functions, and the data may be weighted. Provision is made for detecting and rejecting a single 'bad' measurement, and then rejecting measurements which lie outside an error limit set in the input data. (orig.)
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Crystallization of Doc and the Phd-Doc toxin-antitoxin complex.
Garcia-Pino, Abel; Dao-Thi, Minh-Hoa; Gazit, Ehud; Magnuson, Roy David; Wyns, Lode; Loris, Remy
2008-11-01
The phd/doc addiction system is responsible for the stable inheritance of lysogenic bacteriophage P1 in its plasmidic form in Escherichia coli and is the archetype of a family of bacterial toxin-antitoxin modules. The His66Tyr mutant of Doc (Doc(H66Y)) was crystallized in space group P2(1), with unit-cell parameters a = 53.1, b = 198.0, c = 54.1 A, beta = 93.0 degrees . These crystals diffracted to 2.5 A resolution and probably contained four dimers of Doc in the asymmetric unit. Doc(H66Y) in complex with a 22-amino-acid C-terminal peptide of Phd (Phd(52-73Se)) was crystallized in space group C2, with unit-cell parameters a = 111.1, b = 38.6, c = 63.3 A, beta = 99.3 degrees , and diffracted to 1.9 A resolution. Crystals of the complete wild-type Phd-Doc complex belonged to space group P3(1)21 or P3(2)21, had an elongated unit cell with dimensions a = b = 48.9, c = 354.9 A and diffracted to 2.4 A resolution using synchrotron radiation.
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Ando, Yuji; Ohishi, Yuya; Suzuki, Kohei; Suzuki, Atsushi; Oku, Takeo
2018-01-01
The crystal structures of perovskite thin films including CH3NH3PbI3, CH3NH3Pb1-xSbxI3, and CH3NH3PbI3-yCly in the solar cell configuration were studied by using Rietveld refinement. For the CH3NH3PbI3 and CH3NH3Pb1-xSbxI3 samples, satisfactory agreement with the measured profiles was obtained with a weighted profile R-factor (Rwp) of as low as 3%. It was shown that the site occupancy of methylammonium (MA) was decreased in the antimonized cell due to the compensation effect of an increased positive charge brought about by replacing Pb2+ with Sb3+. Photovoltaic measurements showed that the power conversion efficiency was enhanced by adding a small amount of Sb to the CH3NH3PbI3 cell, but it was monotonically decreased as the mole fraction of Sb exceeded 0.03. This variation of the conversion efficiency was considered as a result of suppressed crystallization of PbI2 and carrier recombination via MA vacancies in the antimonized cells. In the case of CH3NH3PbI2.88Cl0.12 sample, the agreement with the measured profile with an Rwp of as high as 7% suggested the co-existence of cubic and tetragonal phases in the chlorinated cell.
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DEFF Research Database (Denmark)
Jensen, Mikkel Hartmann; Hecksher, Tina; Niss, Kristine
2015-01-01
Isothermal crystallization of the mono-hydroxyl alcohol n-butanol was studied with dielectric spectroscopy in real time. The crystallization was carried out using two different sample cells at 15 temperatures between 120 K and 134 K. Crystallization is characterized by a decrease of the dielectric...... intensity. In addition, a shift in relaxation times to shorter times was observed during the crystallization process for all studied temperatures. The two different sample environments induced quite different crystallization behaviors, consistent and reproducible over all studied temperatures...... that a microscopic interpretation of crystallization measurements requires multiple probes, sample cells, and protocols....
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Four crystal forms of a Bence-Jones protein
Energy Technology Data Exchange (ETDEWEB)
Makino, Debora L.; Henschen-Edman, Agnes H.; McPherson, Alexander, E-mail: amcphers@uci.edu [Molecular Biology and Biochemistry, University of California, Irvine, 560 Steinhaus Hall, Irvine, CA 92697-3900 (United States)
2005-01-01
Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 y ago. The trigonal crystal form may shed some light on the formation of fibrils common to certain storage diseases. Four crystal forms have been grown and characterized by X-ray diffraction of a Bence-Jones protein collected from the urine of a multiple myeloma patient more than 40 years ago. Closely related tetragonal and orthorhombic forms belonging to space groups P4{sub 3}2{sub 1}2 and P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = b = 68.7, c = 182.1 and a = 67.7, b = 69.4, c = 87.3 Å, diffract to 1.5 and 1.9 Å, respectively. Two closely related trigonal forms, both belonging to space group P3{sub 1}21 with unit-cell parameters a = b = 154.3 Å but differing by a doubling of the c axis, one 46.9 Å and the other 94.0 Å, diffract to 2.9 and 2.6 Å resolution, respectively. The trigonal crystal of short c-axis length shows a positive indication of twinning. The trigonal crystal of longer c axis, which appeared only after eight months of incubation at room temperature, is likely to be composed of proteolytically degraded molecules and unlike the other crystal forms contains two entire Bence-Jones dimers in the asymmetric unit. This latter crystal form may shed some light on the formation of fibrils common to certain storage diseases.
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Crystal growth, characterization and theoretical studies of 4-aminopyridinium picrate
Aditya Prasad, A.; Muthu, K.; Rajasekar, M.; Meenatchi, V.; Meenakshisundaram, S. P.
2015-01-01
Single crystals of 4-aminopyridinium picrate (APP) were grown by slow evaporation of a mixed solvent system methanol-acetone (1:1, v/v) containing equimolar quantities of 4-aminopyridine and picric acid. Structure is elucidated by single crystal XRD analysis and the crystal belongs to monoclinic system with four molecules in the unit cell (space group P21/c) and the cell parameter values are, a = 8.513 Å (±0.015), b = 11.33 Å (±0.02), c = 14.33 Å (±0.03) and β = 104.15° (±0.019), V = 1340 A3 (±6) with refined R factors R1 = 0.0053 and wR2 = 0.0126. The electron density mapping is interpreted to find coordinates for each atom in the crystallized molecules. The various functional groups present in the molecule are confirmed by FT-IR analysis. UV-visible spectral analysis was used to determine the band gap energy of 4-aminopyridinium picrate. Powder X-ray diffraction pattern reveals the crystallinity of the as-grown crystal and it closely resembles the simulated XRD from the single crystal XRD analysis. Scanning electron microscopy reveals the surface morphology of the grown crystal. Optimized geometry is derived by Hartree-Fock theory calculations and the first-order molecular hyperpolarizability (β), theoretically calculated bond length, bond angles and excited state energy from theoretical UV-vis spectrum were estimated.
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CCDC 1416891: Experimental Crystal Structure Determination : Methyl-triphenyl-germanium
Bernatowicz, Piotr
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1408042: Experimental Crystal Structure Determination : 6,13-dimesitylpentacene
Shi, Xueliang
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Energy Technology Data Exchange (ETDEWEB)
Guo, Yi; Li, Zhong; Van Vranken, Sandra J. [Wadsworth Center, New York State Department of Health, Empire State Plaza, PO Box 509, Albany, New York 12201-0509 (United States); Li, Hongmin, E-mail: lih@wadsworth.org [Wadsworth Center, New York State Department of Health, Empire State Plaza, PO Box 509, Albany, New York 12201-0509 (United States); Department of Biomedical Sciences, School of Public Health, University at Albany, State University of New York, Empire State Plaza, PO Box 509, Albany, New York 12201-0509 (United States)
2006-03-01
The mutagenesis, crystallization and preliminary crystallographic analysis of M. arthritidis-derived mitogen is described. Mycoplasma arthritidis-derived mitogen (MAM) functions as a conventional superantigen (SAg). Although recombinant MAM has been crystallized by the hanging-drop vapour-diffusion method, the crystals diffracted poorly to only 5.0 Å resolution, with large unit-cell parameters a = 163.8, b = 93.0, c = 210.9 Å, β = 93.7° in the monoclinic space group P2{sub 1}. Unit-cell content analysis revealed that as many as 24 molecules could be present in the asymmetric unit. Systematic alanine mutagenesis was applied in order to search for mutants that give crystals of better quality. Two mutants, L50A and K201A, were crystallized under the same conditions as wild-type MAM (MAM{sub wt}). Crystals of the L50A mutant are isomorphous with those of MAM{sub wt}, while a new crystal form was obtained for the K201 mutant, belonging to the cubic space group P4{sub 1}32 with unit-cell parameters a = b = c = 181.9 Å. Diffraction data were collected to 3.6 and 2.8 Å resolution from crystals of the MAM L50A and K201A mutants, respectively. Molecular-replacement calculations suggest the presence of two molecules in the asymmetric unit for the MAM K201A mutant crystal, resulting in a V{sub M} of 5.0 Å Da{sup −1} and a solvent content of 75%. An interpretable electron-density map for the MAM K201A mutant crystal was produced using the molecular-replacement method.
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International Nuclear Information System (INIS)
Petrescu, Emil; Bena, Eleonora-Rodica
2008-01-01
We study the influence of the magnetic and laser fields on the director structures of a ferrocholesteric liquid crystal in homeotropic cells. Using the analytical method based on the Euler-Lagrange equations, we find a correlation between the fields intensities and the confinement ratio r=d/p, (d is the cell thickness and p is the cholesteric pitch) at the limit of the transition from the homeotropic alignment to the translationally invariant configuration (TIC) with uniform in plane twist. We discuss this correlation as a function of the sign of the magnetic and dielectric anisotropies. If both anisotropies are positive and the magnetic field and the laser beam are perpendicular to the cell walls, the magnetic field preserves the homeotropic alignment while the laser beam pushes the system towards the TIC. The control parameters of the transition are the laser beam intensity and the confinement ratio. If the magnetic anisotropy is negative and the dielectric one is positive both fields concur in driving the system towards the TIC. The spinodal surface separating the metastable homeotropic configuration from the instable TIC is an ellipsoid whose halfaxes are smaller that in the case of a pure liquid crystal by a factor depending on the material constants and the cell thickness. We find also the total twist angle across the sample witch can be varied between a lower and an upper limit by changing the light intensity or the magnetic field strength. Our results can be useful in designing magneto-optical devices
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International Nuclear Information System (INIS)
Sato, Mamoru; Yamamoto, Masaki; Imada, Katsumi; Katsube, Yukiteru; Tanaka, Nobuo; Higashi, Tsuneyuki
1992-01-01
A high-speed data-collection system for large-unit-cell crystals is presented, using the Fuji Imaging Plate as an X-ray detector and a rotating-anode generator as the X-ray source. It is an automatic data-acquisition system that requires almost no manual intervention. The quality of data collected on the system is discussed. Merging R values ranged from 0.04 to 0.05. Compared with a four-circle diffractometer, data reproducibility was better, isomorphous/anomalous Patterson maps were almost identical in quality and data from a small-molecule crystal, cytidine, were of almost the same quality. Protein structures were refinable using the data measured on the system, the final crystallographic R value of the 2.2 A 3-isopropylmalate dehydrogenase structure being 0.185 and that of the 1.88 A Flammulina veltipes agglutinin structure being 0.199. (orig.)
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Crystal structure of a Gammadelta T-cell Receptor Specific for the Human MHC class I Homolog MICA
Energy Technology Data Exchange (ETDEWEB)
B Xu; J Pizarro; M Holmes; C McBeth; V Groh; T Spies; R Strong
2011-12-31
{gamma}{delta} T cells play important roles in bridging innate and adaptive immunity, but their recognition mechanisms remain poorly understood. Human {gamma}{delta} T cells of the V{sub {delta}}1 subset predominate in intestinal epithelia and respond to MICA and MICB (MHC class I chain-related, A and B; MIC) self-antigens, mediating responses to tumorigenesis or viral infection. The crystal structure of an MIC-reactive V{sub {delta}}1 {gamma}{delta} T-cell receptor (TCR) showed expected overall structural homology to antibodies, {alpha}{beta}, and other {gamma}{delta} TCRs, but complementary determining region conformations and conservation of V{sub {delta}}1 use revealed an uncharacteristically flat potential binding surface. MIC, likewise, serves as a ligand for the activating immunoreceptor natural killer group 2, D (NKG2D), also expressed on {gamma}{delta} T cells. Although MIC recognition drives both the TCR-dependent stimulatory and NKG2D-dependent costimulatory signals necessary for activation, interaction analyses showed that MIC binding by the two receptors was mutually exclusive. Analysis of relative binding kinetics suggested sequential recognition, defining constraints for the temporal organization of {gamma}{delta} T-cell/target cell interfaces.
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Crystal structure of a gammadelta T-cell receptor specific for the human MHC class I homolog MICA.
Xu, Bin; Pizarro, Juan C; Holmes, Margaret A; McBeth, Christine; Groh, Veronika; Spies, Thomas; Strong, Roland K
2011-02-08
γδ T cells play important roles in bridging innate and adaptive immunity, but their recognition mechanisms remain poorly understood. Human γδ T cells of the V(δ)1 subset predominate in intestinal epithelia and respond to MICA and MICB (MHC class I chain-related, A and B; MIC) self-antigens, mediating responses to tumorigenesis or viral infection. The crystal structure of an MIC-reactive V(δ)1 γδ T-cell receptor (TCR) showed expected overall structural homology to antibodies, αβ, and other γδ TCRs, but complementary determining region conformations and conservation of V(δ)1 use revealed an uncharacteristically flat potential binding surface. MIC, likewise, serves as a ligand for the activating immunoreceptor natural killer group 2, D (NKG2D), also expressed on γδ T cells. Although MIC recognition drives both the TCR-dependent stimulatory and NKG2D-dependent costimulatory signals necessary for activation, interaction analyses showed that MIC binding by the two receptors was mutually exclusive. Analysis of relative binding kinetics suggested sequential recognition, defining constraints for the temporal organization of γδ T-cell/target cell interfaces.
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Cyclic saturation dislocation structures of multiple-slip-oriented copper single crystals
International Nuclear Information System (INIS)
Li, X.W.; Chinese Academy of Sciences, Shenyang; Umakoshi, Y.; Li, S.X.; Wang, Z.G.
2001-01-01
The dislocation structures of [011] and [ anti 111] multiple-slip-oriented Cu single crystals cyclically saturated at constant plastic strain amplitudes were investigated through transmission electron microscopy. The results obtained on [001] multiple-slip-oriented Cu single crystals were also included for summarization. Unlike the case for single-slip-oriented Cu single crystals, the crystallographic orientation has a strong effect on the saturation dislocation structure in these three multiple-slip-oriented crystals. For the [011] crystal, different dislocation patterns such as veins, PSB walls, labyrinths and PSB ladders were observed. The formation of PSB ladders is believed to be a major reason for the existence of a plateau region in the cyclic stress-strain (CSS) curve for the [011] crystal. The cyclic saturation dislocation structure of a [ anti 111] crystal cycled at a low applied strain amplitude γ pl of 2.0 x 10 -4 was found to consist of irregular cells, which would develop into a more regular arrangement (e. g. PSB ladder-like) and the scale of which tends to decrease with increasing γ pl . Finally, three kinds of representative micro-deformation mode were summarized and termed as labyrinth-mode (or [001]-mode), cell-mode (or [ anti 111]-mode) and PSB ladder-mode (or [011]-mode). (orig.)
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Longitudinal and transverse pyroelectric effects in a chiral ferroelectric liquid crystal
Energy Technology Data Exchange (ETDEWEB)
Yablonskii, S. V., E-mail: yablonskii2005@yandex.ru; Bondarchuk, V. V. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Soto-Bustamante, E. A.; Romero-Hasler, P. N. [Universidad de Chile (Chile); Ozaki, M. [Osaka University, Department of Electronic Engineering, Faculty of Engineering (Japan); Yoshino, K. [Shimane Institute for Industrial Technology (Japan)
2015-04-15
In this study, we compare the results of experimental investigations of longitudinal and transverse pyroelectric effects in a chiral ferroelectric crystal. In a transverse geometry, we studied freely suspended liquid-crystal films. In both geometries, samples exhibited bistability, demonstrating stable pyroelectric signals of different polarities at zero voltage. It is shown that a bistable cell based on a freely suspended film requires 40 times less energy expenditures as compared to the conventional sandwich-type cell.
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Expression, purification and crystallization of Helicobacter pyloril-asparaginase
Energy Technology Data Exchange (ETDEWEB)
Dhavala, Prathusha [Turku Centre for Biotechnology, University of Turku and Åbo Akademi, Turku 20521 (Finland); Krasotkina, Julya [Institute for Biomedical Sciences, Russian Academy of Medical Sciences, Moscow (Russian Federation); Dubreuil, Christine; Papageorgiou, Anastassios C., E-mail: tassos.papageorgiou@btk.fi [Turku Centre for Biotechnology, University of Turku and Åbo Akademi, Turku 20521 (Finland)
2008-08-01
l-Asparaginase from H. pylori was overexpressed in E. coli, purified and crystallized. The crystals belonged to space group I222, with unit-cell parameters a = 63.6, b = 94.9, c = 100.2 Å and one molecule in the asymmetric unit. A complete data set to 1.6 Å resolution was collected using synchrotron radiation. The l-asparaginases from Escherichia coli and Erwinia chrysanthemi are effective drugs that have been used in the treatment of acute childhood lymphoblastic leukaemia for over 30 years. However, despite their therapeutic potential, they can cause serious side effects as a consequence of their intrinsic glutaminase activity, which leads to l-glutamine depletion in the blood. Consequently, new asparaginases with low glutaminase activity, fewer side effects and high activity towards l-asparagine are highly desirable as better alternatives in cancer therapy. l-Asparaginase from Helicobacter pylori was overexpressed in E. coli and purified for structural studies. The enzyme was crystallized at pH 7.0 in the presence of 16–19%(w/v) PEG 4000 and 0.1 M magnesium formate. Data were collected to 1.6 Å resolution at 100 K from a single crystal at a synchrotron-radiation source. The crystals belong to space group I222, with unit-cell parameters a = 63.6, b = 94.9, c = 100.2 Å and one molecule of l-asparaginase in the asymmetric unit. Elucidation of the crystal structure will provide insight into the active site of the enzyme and a better understanding of the structure–activity relationship in l-asparaginases.
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Zhang, Jincan; Lin, Li; Sun, Luzhao; Huang, Yucheng; Koh, Ai Leen; Dang, Wenhui; Yin, Jianbo; Wang, Mingzhan; Tan, Congwei; Li, Tianran; Tan, Zhenjun; Liu, Zhongfan; Peng, Hailin
2017-07-01
The atomically thin 2D nature of suspended graphene membranes holds promising in numerous technological applications. In particular, the outstanding transparency to electron beam endows graphene membranes great potential as a candidate for specimen support of transmission electron microscopy (TEM). However, major hurdles remain to be addressed to acquire an ultraclean, high-intactness, and defect-free suspended graphene membrane. Here, a polymer-free clean transfer of sub-centimeter-sized graphene single crystals onto TEM grids to fabricate large-area and high-quality suspended graphene membranes has been achieved. Through the control of interfacial force during the transfer, the intactness of large-area graphene membranes can be as high as 95%, prominently larger than reported values in previous works. Graphene liquid cells are readily prepared by π-π stacking two clean single-crystal graphene TEM grids, in which atomic-scale resolution imaging and temporal evolution of colloid Au nanoparticles are recorded. This facile and scalable production of clean and high-quality suspended graphene membrane is promising toward their wide applications for electron and optical microscopy. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Hydrothermally grown zeolite crystals
International Nuclear Information System (INIS)
Durrani, S.K.; Qureshi, A.H.; Hussain, M.A.; Qazi, N.K.
2009-01-01
The aluminium-deficient and ferrosilicate zeolite-type materials were synthesized by hydrothermal process at 150-170 degree C for various periods of time from the mixtures containing colloidal reactive silica, sodium aluminate, sodium hydroxide, iron nitrate and organic templates. Organic polycation templates were used as zeolite crystal shape modifiers to enhance relative growth rates. The template was almost completely removed from the zeolite specimens by calcination at 550 degree C for 8h in air. Simultaneous thermogravimetric (TG) and differential thermal analysis (DTA) was performed to study the removal of water molecules and the amount of organic template cations occluded inside the crystal pore of zeolite framework. The 12-13% weight loss in the range of (140-560 degree C) was associated with removal of the (C/sub 3/H/sub 7/)/sub 4/ N+ cation and water molecules. X-ray diffraction (XRD) analysis and scanning electron microscope (SEM) techniques were employed to study the structure, morphology and surface features of hydrothermally grown aluminium-deficient and ferrosilicate zeolite-type crystals. In order to elucidate the mode of zeolite crystallization the crystallinity and unit cell parameters of the materials were determined by XRD, which are the function of Al and Fe contents of zeolites. (author)
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Band Gap Optimization Design of Photonic Crystals Material
Yu, Y.; Yu, B.; Gao, X.
2017-12-01
The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.
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Crystallization and preliminary X-ray analysis of vicenisaminyltransferase VinC
International Nuclear Information System (INIS)
Nango, Eriko; Minami, Atsushi; Kumasaka, Takashi; Eguchi, Tadashi
2008-01-01
The crystallization of VinC, a glycosyltransferase involved in the biosynthesis of the antitumour antibiotic vicenistatin, is reported. A recombinant glycosyltransferase, VinC, from Streptomyces halstedii HC34 has been crystallized at 293 K using PEG 3350 as precipitant. The diffraction pattern of the crystal extends to 2.0 Å resolution at 100 K using synchrotron radiation at SPring-8. The crystals are orthorhombic and belong to space group I222, with unit-cell parameters a = 98.21, b = 130.39, c = 140.11 Å. The presence of two molecules per asymmetric unit gives a crystal volume per protein weight (V M ) of 2.43 Å 3 Da −1 and a solvent content of 49.5% by volume
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International Nuclear Information System (INIS)
Iino, Daisuke; Takakura, Yasuaki; Kuroiwa, Mika; Kawakami, Ryouta; Sasaki, Yasuyuki; Hoshino, Takayuki; Ohsawa, Kanju; Nakamura, Akira; Yajima, Shunsuke
2007-01-01
The crystallization and preliminary X-ray studies of the aminoglycoside antibiotic-modifying enzyme hygromycin B phosphotransferase from E. coli are reported. Aminoglycoside antibiotics, such as hygromycin, kanamycin, neomycin, spectinomycin and streptomycin, inhibit protein synthesis by acting on bacterial and eukaryotic ribosomes. Hygromycin B phosphotransferase (Hph; EC 2.7.1.119) converts hygromycin B to 7′′-O-phosphohygromycin using a phosphate moiety from ATP, resulting in the loss of its cell-killing activity. The Hph protein has been crystallized for the first time using a thermostable mutant and the hanging-drop vapour-diffusion method. The crystal provided diffraction data to a resolution of 2.1 Å and belongs to space group P3 2 21, with unit-cell parameters a = b = 71.0, c = 125.0 Å. Crystals of complexes of Hph with hygromycin B and AMP-PNP or ADP have also been obtained in the same crystal form as that of the apoprotein
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International Nuclear Information System (INIS)
Yu, Wenjing; Sun, Weiwei; Liu, Yumin; Mehnane, Hadja Fatima; Liu, Haimin; Zhang, Kun; Cai, Bo; Liu, Wei; Guo, Shishang; Zhao, Xing-Zhong
2015-01-01
We demonstrate a method for incorporating plasmon metallic nanoparticles in hierarchical rutile TiO_2 clusters (RTC) assembled from single-crystal nanospindles. The RTC could efficiently improve the diffusion of the photoelectrons, which can be ascribed to the improvement of the connectivity by bridging the neighbouring microflowers through the single-crystal nanospindles. But not all the nanospindles are tightly interconnected, hence organic colloid has been prepared for post-treatment of the device based on RTC by the generation of TiO_2 nanoparticles. When added into Au nanoparticles, localized electric fields can be produced, because Au can excite dye molecules more intensively than incident far-field light. The surface plasmon synergistic effect had been investigated by Uv-vis absorption spectrum of Au@ organic colloid and the relative change of the IPCE. As a result, the cell based on RTC exhibits an overall conversion efficiency of 7.68%, indicating a 17% promotion compared with that derived from commercial P25 (6.58%) which could be ascribed to faster electron transfer of single-crystal nanospindles. With the Au nanoparticles incorporation in RTC, the device achieves a conversion efficiency of 9.15%, resulting in a 11% increase compared to the RTC device post-treated by organic colloid without Au nanoparticles (8.24%), which is attributed to the surface plasmon synergistic of Au nanoparticles.
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Oxide nano crystals for in vivo imaging
International Nuclear Information System (INIS)
Heinrich, E.
2005-01-01
For small animal, fluorescence imaging is complementary with other techniques such as nuclear imaging (PET, SPECT). In vivo imaging studies imply the development of new luminescent probes, with a better sensitivity and a better biological targeting. These markers must filled biological and optical conditions. Our goal is to study new doped lanthanides oxide nano-crystals, their properties, their functionalization and their ability to target biological molecules. Characterizations of Y 2 O 3 :Eu and Y 2 SiO 5 :Eu nano-crystals (light diffusion, spectrometry, microscopy) allowed the determination of their size, their fluorescence properties but also their photo-bleaching. Means of stabilization of the nanoparticles were also studied in order to decrease their aggregation. Gd 2 O 3 :Eu nano-crystals were as well excited by X rays. Nano-crystals of Y 2 SiO 5 :Eu were functionalized, and organic ligands grafting evidenced by fluorescence and NMR. The functionalized nano-crystals could then recognized biological targets (streptavidin-biotin) and be incubated in the presence of HeLa cells. This report deals with the properties of these nano-crystals and their ability to meet the optical and biological conditions required for the application of in vivo imaging. (author)
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Shear induced structures in crystallizing cocoa butter
Mazzanti, Gianfranco; Guthrie, Sarah E.; Sirota, Eric B.; Marangoni, Alejandro G.; Idziak, Stefan H. J.
2004-03-01
Cocoa butter is the main structural component of chocolate and many cosmetics. It crystallizes in several polymorphs, called phases I to VI. We used Synchrotron X-ray diffraction to study the effect of shear on its crystallization. A previously unreported phase (phase X) was found and a crystallization path through phase IV under shear was observed. Samples were crystallized under shear from the melt in temperature controlled Couette cells, at final crystallization temperatures of 17.5^oC, 20^oC and 22.5^oC in Beamline X10A of NSLS. The formation of phase X was observed at low shear rates (90 s-1) and low crystallization temperature (17.5^oC), but was absent at high shear (720 s-1) and high temperature (20^oC). The d-spacing and melting point suggest that this new phase is a mixture rich on two of the three major components of cocoa butter. We also found that, contrary to previous reports, the transition from phase II to phase V can happen through the intermediate phase IV, at high shear rates and temperature.
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Growth and microtopographic study of CuInSe{sub 2} single crystals
Energy Technology Data Exchange (ETDEWEB)
Chauhan, Sanjaysinh M.; Chaki, Sunil, E-mail: sunilchaki@yahoo.co.in; Deshpande, M. P. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar, Gujarat - 388120 (India); Tailor, J. P. [Applied Physics Department, S.V.N.I.T., Surat, Gujarat - 395007 (India)
2016-05-23
The CuInSe{sub 2} single crystals were grown by chemical vapour transport (CVT) technique using iodine as transporting agent. The elemental composition of the as-grown CuInSe{sub 2} single crystals was determined by energy dispersive analysis of X-ray (EDAX). The unit cell crystal structure and lattice parameters were determined by X-ray diffraction (XRD) technique. The surface microtopographic study of the as-grown CuInSe{sub 2} single crystals surfaces were done to study the defects, growth mechanism, etc. of the CVT grown crystals.
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Crystallization and preliminary X-ray analysis of Aspergillus oryzae catechol oxidase
International Nuclear Information System (INIS)
Kaljunen, Heidi; Gasparetti, Chiara; Kruus, Kristiina; Rouvinen, Juha; Hakulinen, Nina
2011-01-01
Catechol oxidase from A. oryzae was crystallized by the hanging-drop vapour-diffusion method. Catechol oxidase is an enzyme that catalyzes the oxidation of o-diphenols to the corresponding o-quinones. It is a copper-containing enzyme with a binuclear copper active site. Here, the crystallization and multiple-wavelength anomalous dispersion data collection of catechol oxidase from the mould fungus Aspergillus oryzae are described. During the purification, three forms of the enzyme (39.3, 40.5 and 44.3 kDa) were obtained. A mixture of these three forms was initially crystallized and gave crystals that diffracted to 2.5 Å resolution and belonged to space group P3 2 21, with unit-cell parameters a = b = 118.9, c = 84.5 Å, α = β = 90, γ = 120°. A preparation containing only the shorter form (39.3 kDa) produced crystals that diffracted to 2.9 Å resolution and belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 51.8, b = 95.3, c = 139.5 Å, α = β = γ = 90°
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Zak phase induced multiband waveguide by two-dimensional photonic crystals.
Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong
2017-08-15
Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.
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Energy Technology Data Exchange (ETDEWEB)
Cho, Woosum [Department of Chemistry Education, and Department of Frontier Materials Chemistry, and Institute for Plastic Information and Energy Materials, Pusan National University, Busan 609-735 (Korea, Republic of); Lee, Jae Wook, E-mail: jlee@donga.ac.kr [Department of Chemistry, Dong-A University, Busan 604-714 (Korea, Republic of); Gal, Yeong-Soon [Polymer Chemistry Lab, College of General Education, Kyungil University, Hayang 712-701 (Korea, Republic of); Kim, Mi-Ra, E-mail: mrkim2@pusan.ac.kr [Department of Polymer Science and Engineering, Pusan National University, Busan 609-735 (Korea, Republic of); Jin, Sung Ho, E-mail: shjin@pusan.ac.kr [Department of Chemistry Education, and Department of Frontier Materials Chemistry, and Institute for Plastic Information and Energy Materials, Pusan National University, Busan 609-735 (Korea, Republic of)
2014-02-14
Side chain liquid crystal polymer (SCLCP) embedded in poly(vinylidenefluoride-co-hexafluoropropylene) (PVdF-co-HFP)-based polymer electrolytes (PVdF-co-HFP:side chain liquid crystal polymer (SCLCP)) was prepared for dye-sensitized solar cell (DSSC) application. The polymer electrolytes contained tetrabutylammonium iodide (TBAI), iodine (I{sub 2}), and 8 wt% PVdF-co-HFP in acetonitrile. DSSCs comprised of PVdF-co-HFP:SCLCP-based polymer electrolytes displayed enhanced redox couple reduction and reduced charge recombination in comparison to those of the conventional PVdF-co-HFP-based polymer electrolyte. The significantly increased short-circuit current density (J{sub sc}, 10.75 mA cm{sup −2}) of the DSSCs with PVdF-co-HFP:SCLCP-based polymer electrolytes afforded a high power conversion efficiency (PCE) of 5.32% and a fill factor (FF) of 0.64 under standard light intensity of 100 mW cm{sup −2} irradiation of AM 1.5 sunlight. - Highlights: • We developed the liquid crystal polymer embedded on polymer electrolyte for DSSCs. • We fabricated the highly efficient DSSCs using polymer electrolyte. • The best PCE achieved for P1 is 5.32% using polymer electrolyte.
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International Nuclear Information System (INIS)
Cho, Woosum; Lee, Jae Wook; Gal, Yeong-Soon; Kim, Mi-Ra; Jin, Sung Ho
2014-01-01
Side chain liquid crystal polymer (SCLCP) embedded in poly(vinylidenefluoride-co-hexafluoropropylene) (PVdF-co-HFP)-based polymer electrolytes (PVdF-co-HFP:side chain liquid crystal polymer (SCLCP)) was prepared for dye-sensitized solar cell (DSSC) application. The polymer electrolytes contained tetrabutylammonium iodide (TBAI), iodine (I 2 ), and 8 wt% PVdF-co-HFP in acetonitrile. DSSCs comprised of PVdF-co-HFP:SCLCP-based polymer electrolytes displayed enhanced redox couple reduction and reduced charge recombination in comparison to those of the conventional PVdF-co-HFP-based polymer electrolyte. The significantly increased short-circuit current density (J sc , 10.75 mA cm −2 ) of the DSSCs with PVdF-co-HFP:SCLCP-based polymer electrolytes afforded a high power conversion efficiency (PCE) of 5.32% and a fill factor (FF) of 0.64 under standard light intensity of 100 mW cm −2 irradiation of AM 1.5 sunlight. - Highlights: • We developed the liquid crystal polymer embedded on polymer electrolyte for DSSCs. • We fabricated the highly efficient DSSCs using polymer electrolyte. • The best PCE achieved for P1 is 5.32% using polymer electrolyte
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Energy Technology Data Exchange (ETDEWEB)
Soliman, Ahmed S. M.; Warkentin, Matthew [Cornell University, Ithaca, New York (United States); Apker, Benjamin [MiTeGen LLC, Ithaca, New York (United States); Thorne, Robert E., E-mail: ret6@cornell.edu [Cornell University, Ithaca, New York (United States); MiTeGen LLC, Ithaca, New York (United States)
2011-07-01
An optically, UV and X-ray transparent crystallization plate suitable for in situ analysis has been developed. The plate uses contact line pinning rather than wells to confine the liquids. X-ray transparent crystallization plates based upon a novel drop-pinning technology provide a flexible, simple and inexpensive approach to protein crystallization and screening. The plates consist of open cells sealed top and bottom by thin optically, UV and X-ray transparent films. The plates do not need wells or depressions to contain liquids. Instead, protein drops and reservoir solution are held in place by rings with micrometre dimensions that are patterned onto the bottom film. These rings strongly pin the liquid contact lines, thereby improving drop shape and position uniformity, and thus crystallization reproducibility, and simplifying automated image analysis of drop contents. The same rings effectively pin solutions containing salts, proteins, cryoprotectants, oils, alcohols and detergents. Strong pinning by rings allows the plates to be rotated without liquid mixing to 90° for X-ray data collection or to be inverted for hanging-drop crystallization. The plates have the standard SBS format and are compatible with standard liquid-handling robots.
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International Nuclear Information System (INIS)
Kralina, A.A.; Vorontsov, V.B.
1977-01-01
Cellular and dendritic structure of Fe-Ni single crystals (31 and 45 wt%Ni) grown according to Bridgeman have been studied by metallography. Growth rates at which the crystallization frontier becomes unstable and splits into cells have been determined for three temperature gradients. The transition from cells to dendrites occurs gradually through the changes in the cells regular structure and formation of secondary and tertiary branches. The dependence of cell diameter and distance between dendrites on crystallization rate and temperature gradient are discussed in terms of the admixture substructures development according to the schedule: cells - cellular dendrites - dendrites
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Improving the diffraction of apoA-IV crystals through extreme dehydration
International Nuclear Information System (INIS)
Deng, Xiaodi; Davidson, W. Sean; Thompson, Thomas B.
2011-01-01
Apolipoprotein A-IV crystals consisted of a long unit-cell edge (540 Å) with a high mosaic spread, making them intractable for X-ray diffraction analysis. Extreme dehydration in 60% PEG 3350 was utilized as a post-crystallization treatment as well a screening method to significantly sharpen the mosaic spread and increase the overall resolution of diffraction. Apolipoproteins are the protein component of high-density lipoproteins (HDL), which are necessary for mobilizing lipid-like molecules throughout the body. Apolipoproteins undergo self-association, especially at higher concentrations, making them difficult to crystallize. Here, the crystallization and diffraction of the core fragment of apolipoprotein A-IV (apoA-IV), consisting of residues 64–335, is presented. ApoA-IV 64–335 crystallized readily in a variety of hexagonal (P6) morphologies with similar unit-cell parameters, all containing a long axis of nearly 550 Å in length. Preliminary diffraction experiments with the different crystal morphologies all resulted in limited streaky diffraction to 3.5 Å resolution. Crystal dehydration was applied to the different morphologies with variable success and was also used as a quality indicator of crystal-growth conditions. The results show that the morphologies that withstood the most extreme dehydration conditions showed the greatest improvement in diffraction. One morphology in particular was able to withstand dehydration in 60% PEG 3350 for over 12 h, which resulted in well defined intensities to 2.7 Å resolution. These results suggest that the approach of integrating dehydration with variation in crystal-growth conditions might be a general technique to optimize diffraction
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Cholesterol crystallization within hepatocyte lipid droplets and its role in murine NASH.
Ioannou, George N; Subramanian, Savitha; Chait, Alan; Haigh, W Geoffrey; Yeh, Matthew M; Farrell, Geoffrey C; Lee, Sum P; Savard, Christopher
2017-06-01
We recently reported that cholesterol crystals form in hepatocyte lipid droplets (LDs) in human and experimental nonalcoholic steatohepatitis. Herein, we assigned WT C57BL/6J mice to a high-fat (15%) diet for 6 months, supplemented with 0%, 0.25%, 0.5%, 0.75%, or 1% dietary cholesterol. Increasing dietary cholesterol led to cholesterol loading of the liver, but not of adipose tissue, resulting in fibrosing steatohepatitis at a dietary cholesterol concentration of ≥0.5%, whereas mice on lower-cholesterol diets developed only simple steatosis. Hepatic cholesterol crystals and crown-like structures also developed at a dietary cholesterol concentration ≥0.5%. Crown-like structures consisted of activated Kupffer cells (KCs) staining positive for NLRP3 and activated caspase 1, which surrounded and processed cholesterol crystal-containing remnant LDs of dead hepatocytes. The KCs processed LDs at the center of crown-like structures in the extracellular space by lysosomal enzymes, ultimately transforming into lipid-laden foam cells. When HepG2 cells were exposed to LDL cholesterol, they developed cholesterol crystals in LD membranes, which caused activation of THP1 cells (macrophages) grown in coculture; upregulation of TNF-alpha , NLRP3, and interleukin 1beta ( IL1β ) mRNA; and secretion of IL-1beta. In conclusion, cholesterol crystals form on the LD membrane of hepatocytes and cause activation and cholesterol loading of KCs that surround and process these LDs by lysosomal enzymes.
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Crystallization of the hydantoin transporter Mhp1 from Microbacterium liquefaciens
International Nuclear Information System (INIS)
Shimamura, Tatsuro; Yajima, Shunsuke; Suzuki, Shun’ichi; Rutherford, Nicholas G.; O’Reilly, John; Henderson, Peter J. F.; Iwata, So
2008-01-01
Mhp1, a hydantoin transporter from M. liquefaciens, was purified and crystallized. Diffraction data were collected to 2.85 Å resolution; the crystal belonged to the orthorhombic space group P2 1 2 1 2 1 . The integral membrane protein Mhp1 from Microbacterium liquefaciens transports hydantoins and belongs to the nucleobase:cation symporter 1 family. Mhp1 was successfully purified and crystallized. Initial crystals were obtained using the hanging-drop vapour-diffusion method but diffracted poorly. Optimization of the crystallization conditions resulted in the generation of orthorhombic crystals (space group P2 1 2 1 2 1 , unit-cell parameters a = 79.7, b = 101.1, c = 113.8 Å). A complete data set has been collected from a single crystal to a resolution of 2.85 Å with 64 741 independent observations (94% complete) and an R merge of 0.12. Further experimental phasing methods are under way
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Jeong, Namjo; Cha, Misun; Park, Yun Chang; Lee, Kyung Mee; Lee, Jae Hyup; Park, Byong Chon; Lee, Junghoon
2013-07-23
Vertically aligned one-dimensional hybrid structures, which are composed of apatite and graphitic structures, can be beneficial for orthopedic applications. However, they are difficult to generate using the current method. Here, we report the first synthesis of a single-crystal apatite nanowire encapsulated in graphitic shells by a one-step chemical vapor deposition. Incipient nucleation of apatite and its subsequent transformation to an oriented crystal are directed by derived gaseous phosphorine. Longitudinal growth of the oriented apatite crystal is achieved by a vapor-solid growth mechanism, whereas lateral growth is suppressed by the graphitic layers formed through arrangement of the derived aromatic hydrocarbon molecules. We show that this unusual combination of the apatite crystal and the graphitic shells can lead to an excellent osteogenic differentiation and bony fusion through a programmed smart behavior. For instance, the graphitic shells are degraded after the initial cell growth promoted by the graphitic nanostructures, and the cells continue proliferation on the bare apatite nanowires. Furthermore, a bending experiment indicates that such core-shell nanowires exhibited a superior bending stiffness compared to single-crystal apatite nanowires without graphitic shells. The results suggest a new strategy and direction for bone grafting materials with a highly controllable morphology and material conditions that can best stimulate bone cell differentiation and growth.
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Basic calcium phosphate crystal-induced Egr-1 expression stimulates mitogenesis in human fibroblasts
International Nuclear Information System (INIS)
Zeng, Xiao R.; Sun Yubo; Wenger, Leonor; Cheung, Herman S.
2005-01-01
Previously, we have reported that basic calcium phosphate (BCP) crystals stimulate mitogenesis and synthesis of matrix metalloproteinases in cultured human foreskin and synovial fibroblasts. However, the detailed mechanisms involved are still unclear. In the present study, using RT-PCR and Egr-1 promoter analysis we showed that BCP crystals could stimulate early growth response gene Egr-1 transcription through a PKCα-dependent p44/p42 MAPK pathway. Using a retrovirus gene expression system (Clontech) to overexpress Egr-1 in human fibroblast BJ-1 cells resulted in promotion of mitogenesis measured either by MTT cell proliferation analysis or by direct cell counting. The results demonstrate that Egr-1 may play a key role in mediating BCP crystal-induced synovial fibroblast mitogenesis
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Structures of the OmpF porin crystallized in the presence of foscholine-12.
Kefala, Georgia; Ahn, Chihoon; Krupa, Martin; Esquivies, Luis; Maslennikov, Innokentiy; Kwiatkowski, Witek; Choe, Senyon
2010-05-01
The endogenous Escherichia coli porin OmpF was crystallized as an accidental by-product of our efforts to express, purify, and crystallize the E. coli integral membrane protein KdpD in the presence of foscholine-12 (FC12). FC12 is widely used in membrane protein studies, but no crystal structure of a protein that was both purified and crystallized with this detergent has been reported in the Protein Data Bank. Crystallization screening for KdpD yielded two different crystals of contaminating protein OmpF. Here, we report two OmpF structures, the first membrane protein crystal structures for which extraction, purification, and crystallization were done exclusively with FC12. The first structure was refined in space group P21 with cell parameters a = 136.7 A, b = 210.5 A, c = 137 A, and beta = 100.5 degrees , and the resolution of 3.8 A. The second structure was solved at the resolution of 4.4 A and was refined in the P321 space group, with unit cell parameters a = 215.5 A, b = 215.5 A, c = 137.5 A, and gamma = 120 degrees . Both crystal forms show novel crystal packing, in which the building block is a tetrahedral arrangement of four trimers. Additionally, we discuss the use of FC12 for membrane protein crystallization and structure determination, as well as the problem of the OmpF contamination for membrane proteins overexpressed in E. coli.
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Electron color centers in SrF2-Na crystals
International Nuclear Information System (INIS)
Kachan, S.I.; Chornij, Z.P.
2006-01-01
A radiation-induced memory effect in SrF 2 -Na crystals is studied. It was shown that optical bleaching of M + A color centers at 80 K in SrF 2 -Na crystals causes the core of an M + A -center to transform into the V + a Me + V + a configuration, in which all three point defects are arranged diagonally in the cube cell. Reirradiation of an optically bleached crystal by X-rays generates F D centers in it. The F D →M + A transformation in SrF 2 -Na crystals occurs at T = 135 K, in contrast to the F A →M + A transformations, which take place at T > 200 K [ru
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Biodegradation of Crystal Violet by Agrobacterium radiobacter
DEFF Research Database (Denmark)
Parshetti, G.K.; Parshetti, S.G.; Telke, A.A.
2011-01-01
Violet (100 mg/L) was studied, maximum decolorization was observed with 15% inoculum concentration. A significant increase in the activities of laccase (184%) and aminopyrine Af-demethylase (300%) in cells obtained after decolorization indicated the involvement of these enzymes in decolorization process...... and phenol. We proposed the hypothetical metabolic pathway of Crystal Violet biodegradation by A. radiobacter. Phytotoxicity and microbial toxicity study showed that Crystal Violet biodegradation metabolites were less toxic to bacteria (A. radiobacter, P. aurugenosa and A. vinelandii) contributing to soil...
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Liquid crystals for organic transistors (Conference Presentation)
Hanna, Jun-ichi; Iino, Hiroaki
2016-09-01
Liquid crystals are a new type of organic semiconductors exhibiting molecular orientation in self-organizing manner, and have high potential for device applications. In fact, various device applications have been proposed so far, including photosensors, solar cells, light emitting diodes, field effect transistors, and so on.. However, device performance in those fabricated with liquid crystals is less than those of devices fabricated with conventional materials in spite of unique features of liquid crystals. Here we discuss how we can utilize the liquid crystallinity in organic transistors and how we can overcome conventional non-liquid crystalline organic transistor materials. Then, we demonstrate high performance organic transistors fabricated with a smectic E liquid crystal of Ph-BTBT-10, which show high mobility of over 10cm2/Vs and high thermal durability of over 200oC in OFETs fabricated with its spin-coated polycrystalline thin films.
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Shieh, Huey-Sheng; Ghisla, Sandro; Hanson, Louise Karle; Ludwig, Martha L.; Nordman, Christer E.
1981-01-01
The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N402●C7H7N02●H2O)crystallizes from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 Å, c = 7.045 Å, α = 95.44°, β = 95.86°, and γ = 105.66°. The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating l...
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Metallic dielectric photonic crystals and methods of fabrication
Energy Technology Data Exchange (ETDEWEB)
Chou, Jeffrey Brian; Kim, Sang-Gook
2016-12-20
A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.
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Metallic dielectric photonic crystals and methods of fabrication
Energy Technology Data Exchange (ETDEWEB)
Chou, Jeffrey Brian; Kim, Sang-Gook
2017-12-05
A metallic-dielectric photonic crystal is formed with a periodic structure defining a plurality of resonant cavities to selectively absorb incident radiation. A metal layer is deposited on the inner surfaces of the resonant cavities and a dielectric material fills inside the resonant cavities. This photonic crystal can be used to selectively absorb broadband solar radiation and then reemit absorbed radiation in a wavelength band that matches the absorption band of a photovoltaic cell. The photonic crystal can be fabricated by patterning a sacrificial layer with a plurality of holes, into which is deposited a supporting material. Removing the rest of the sacrificial layer creates a supporting structure, on which a layer of metal is deposited to define resonant cavities. A dielectric material then fills the cavities to form the photonic crystal.
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CCDC 870534: Experimental Crystal Structure Determination : Dichloro-trimethyl-tantalum(v)
Chen, Yin; Callens, E.; Abou-Hamad, E.; Merle, N.; White, A.J.P.; Taoufik, M.; Coperet, C.; Le Roux, E.; Basset, J.-M.
2013-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1475931: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)
Dang, Yangyang
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1475929: Experimental Crystal Structure Determination : trimethylammonium tribromo-tin(iv)
Dang, Yangyang
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1482638: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)
Dang, Yangyang
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1475930: Experimental Crystal Structure Determination : trimethylammonium trichloro-tin(iv)
Dang, Yangyang
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Flow induced/ refined solution crystallization of a semiconducting polymer
Nguyen, Ngoc A.
Organic photovoltaics, a new generation of solar cells, has gained scientific and economic interests due to the ability of solution-processing and potentially low-cost power production. Though, the low power conversion efficiency of organic/ plastic solar cells is one of the most pertinent challenges that has appealed to research communities from many different fields including materials science and engineering, electrical engineering, chemical engineering, physics and chemistry. This thesis focuses on investigating and controlling the morphology of a semi-conducting, semi-crystalline polymer formed under shear-flow. Molecular structures and processing techniques are critical factors that significantly affect the morphology formation in the plastic solar cells, thus influencing device performance. In this study, flow-induced solution crystallization of poly (3-hexylthiophene) (P3HT) in a poor solvent, 2-ethylnapthalene (2-EN) was utilized to make a paint-like, structural liquid. The polymer crystals observed in this structured paint are micrometers long, nanometers in cross section and have a structure similar to that formed under quiescent conditions. There is pi-pi stacking order along the fibril axis, while polymer chain folding occurs along the fibril width and the order of the side-chain stacking is along fibril height. It was revealed that shear-flow not only induces P3HT crystallization from solution, but also refines and perfects the P3HT crystals. Thus, a general strategy to refine the semiconducting polymer crystals from solution under shear-flow has been developed and employed by simply tuning the processing (shearing) conditions with respect to the dissolution temperature of P3HT in 2-EN. The experimental results demonstrated that shear removes defects and allows more perfect crystals to be formed. There is no glass transition temperature observed in the crystals formed using the flow-induced crystallization indicating a significantly different
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International Nuclear Information System (INIS)
Vilhelmsson, Monica; Hallberg, B. Martin; Rasool, Omid; Zargari, Arezou; Scheynius, Annika; Achour, Adnane
2006-01-01
Crystals of the M. sympodialis allergen Mala s 1 have been obtained using the hanging-drop vapour-diffusion method. A diffraction data set has been collected from native crystals to 1.35 Å resolution. The opportunistic yeast Malassezia sympodialis can act as an allergen and elicit specific IgE- and T-cell reactivity in patients with atopic eczema. The first identified major allergen from M. sympodialis, Mala s 1, is present on the cell surface of the yeast. Recombinant Mala s 1 was expressed in Escherichia coli, purified and refolded in a soluble form. Crystals of Mala s 1 were obtained in 25% PEG 8K, 0.2 M (NH 4 ) 2 SO 4 . Crystals belong to space group P2 1 2 1 2, with unit-cell parameters a = 44.4, b = 163.7, c = 50.6 Å, and diffract to 1.35 Å resolution
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Energy Technology Data Exchange (ETDEWEB)
Vilhelmsson, Monica, E-mail: monica.vilhelmsson@medks.ki.se [Department of Medicine, Clinical Allergy Research Unit, Karolinska Institutet and Karolinska University Hospital, Stockholm (Sweden); Center for Infectious Medicine, Department of Medicine, Karolinska University Hospital, Huddinge, Stockholm (Sweden); Hallberg, B. Martin [Department of Biochemistry and Biophysics, Stockholm University, Stockholm (Sweden); Rasool, Omid; Zargari, Arezou; Scheynius, Annika [Department of Medicine, Clinical Allergy Research Unit, Karolinska Institutet and Karolinska University Hospital, Stockholm (Sweden); Achour, Adnane [Center for Infectious Medicine, Department of Medicine, Karolinska University Hospital, Huddinge, Stockholm (Sweden); Department of Medicine, Clinical Allergy Research Unit, Karolinska Institutet and Karolinska University Hospital, Stockholm (Sweden)
2006-02-01
Crystals of the M. sympodialis allergen Mala s 1 have been obtained using the hanging-drop vapour-diffusion method. A diffraction data set has been collected from native crystals to 1.35 Å resolution. The opportunistic yeast Malassezia sympodialis can act as an allergen and elicit specific IgE- and T-cell reactivity in patients with atopic eczema. The first identified major allergen from M. sympodialis, Mala s 1, is present on the cell surface of the yeast. Recombinant Mala s 1 was expressed in Escherichia coli, purified and refolded in a soluble form. Crystals of Mala s 1 were obtained in 25% PEG 8K, 0.2 M (NH{sub 4}){sub 2}SO{sub 4}. Crystals belong to space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 44.4, b = 163.7, c = 50.6 Å, and diffract to 1.35 Å resolution.
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International Nuclear Information System (INIS)
Cedervall, Peder E.; Hooper, Alan B.; Wilmot, Carrie M.
2009-01-01
A new crystal form of N. europaea hydroxylamine oxidoreductase (space group P2 1 2 1 2) diffracted to 2.25 Å resolution at a third-generation synchrotron X-ray source. Hydroxylamine oxidoreductase (HAO) from Nitrosomonas europaea is a homotrimeric protein that catalyzes the oxidation of hydroxylamine to nitrite. Each monomer, with a molecular weight of 67.1 kDa, contains seven c-type hemes and one heme P460, the porphyrin ring of which is covalently linked to a tyrosine residue from an adjacent subunit. HAO was first crystallized and structurally characterized at a resolution of 2.8 Å in 1997. The structure was solved in space group P6 3 and suffered from merohedral twinning. Here, a crystallization procedure is presented that yielded untwinned crystals belonging to space group P2 1 2 1 2, which diffracted to 2.25 Å resolution and contained one trimer in the asymmetric unit. The unit-cell parameters were a = 140.7, b = 142.6, c = 107.4 Å
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Directory of Open Access Journals (Sweden)
Elena Simone
2018-01-01
Full Text Available In this work, a novel membrane crystallization system was used to crystallize micro-sized seeds of piroxicam monohydrate by reverse antisolvent addition. Membrane crystallization seeds were compared with seeds produced by conventional antisolvent addition and polymorphic transformation of a fine powdered sample of piroxicam form I in water. The membrane crystallization process allowed for a consistent production of pure monohydrate crystals with narrow size distribution and without significant agglomeration. The seeds were grown in 350 g of 20:80 w/w acetone-water mixture. Different seeding loads were tested and temperature cycling was applied in order to avoid agglomeration of the growing crystals during the process. Focused beam reflectance measurement (FBRM; and particle vision and measurement (PVM were used to monitor crystal growth; nucleation and agglomeration during the seeded experiments. Furthermore; Raman spectroscopy was used to monitor solute concentration and estimate the overall yield of the process. Membrane crystallization was proved to be the most convenient and consistent method to produce seeds of highly agglomerating compounds; which can be grown via cooling crystallization and temperature cycling.
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Standard test method for determining the orientation of a metal crystal
American Society for Testing and Materials. Philadelphia
2009-01-01
1.1 This test method covers the back-reflection Laue procedure for determining the orientation of a metal crystal. The back-reflection Laue method for determining crystal orientation (1, 2) may be applied to macrograins (3) (0.5-mm diameter or larger) within polycrystalline aggregates, as well as to single crystals of any size. The method is described with reference to cubic crystals; it can be applied equally well to hexagonal, tetragonal, or orthorhombic crystals. 1.2 Most natural crystals have well developed external faces, and the orientation of such crystals can usually be determined from inspection. The orientation of a crystal having poorly developed faces, or no faces at all (for example, a metal crystal prepared in the laboratory) must be determined by more elaborate methods. The most convenient and accurate of these involves the use of X-ray diffraction. The “orientation of a metal crystal” is known when the positions in space of the crystallographic axes of the unit cell have been located with...
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Crystallization of a 79 kDa fragment of the hook protein FlgE from Campylobacter jejuni
International Nuclear Information System (INIS)
Kido, Yasuji; Yoon, Young-Ho; Samatey, Fadel A.
2011-01-01
A 79 kDa fragment of FlgE from C. jejuni has been crystallized. A 79 kDa fragment of the bacterial flagellar hook protein FlgE from Campylobacter jejuni was cloned, overexpressed, purified and crystallized. Two different crystal forms were obtained. Synchrotron X-ray diffraction data showed that the first crystal form, which diffracted to 4.9 Å resolution, belonged to the tetragonal crystal system, with space group I4 1 22 and unit-cell parameters a = b = 186.2, c = 386.6 Å, α = β = γ = 90°. The second crystal form diffracted to 2.5 Å resolution and belonged to the monoclinic crystal system, with space group P2 1 and unit-cell parameters a = 75.7, b = 173.8, c = 150.8 Å, α = γ = 90, β = 106.5°. SeMet protein was also overexpressed, purified and crystallized, and a 2.6 Å resolution MAD data set was collected
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Liquid crystals: high technology materials for potential applications
International Nuclear Information System (INIS)
Saeed, M.A.; Badaruddin; Rizvi, T.Z.
1993-01-01
Liquid crystals have very rapidly emerged as a basis of many high technology fields within the last few decades. These materials because of their intriguing physical properties are regarded as the fourth state of matter. At present the applications of liquid crystals are established in digital display devices, electro-optical switches, optical computing, acousto-optics, thermo-indicators, laser thermo-recording, photo-chemical image recording and optical communication networks. More recently due to the concept of molecularly based electronics (MBE): the logical extreme for miniaturization of electronic device, liquid crystals are foreseen to play a vital role in the future optics based technologies. This paper gives a brief introduction to liquid crystals, the types of meso phases found in these materials together with their applications in research and industry. Some technical details of the construction liquid crystal cells for some typical applications in digital displays and other electro optical devices have also been discussed with special emphasis on relevant physical processes occurring at molecular level. (author)
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Dumas, K. A. (Editor)
1984-01-01
Theoretical and experimental phenomena, applications, and characterization including stress/strain and other problem areas that limit the rate of growth of crystals suitable for processing into efficient, cost-effective solar cells are discussed. Melt spinning, ribbon growth, rapid solidification, laser recrystallization, and ignot growth of silicon and metals are also discussed.
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Two types of amorphous protein particles facilitate crystal nucleation.
Yamazaki, Tomoya; Kimura, Yuki; Vekilov, Peter G; Furukawa, Erika; Shirai, Manabu; Matsumoto, Hiroaki; Van Driessche, Alexander E S; Tsukamoto, Katsuo
2017-02-28
Nucleation, the primary step in crystallization, dictates the number of crystals, the distribution of their sizes, the polymorph selection, and other crucial properties of the crystal population. We used time-resolved liquid-cell transmission electron microscopy (TEM) to perform an in situ examination of the nucleation of lysozyme crystals. Our TEM images revealed that mesoscopic clusters, which are similar to those previously assumed to consist of a dense liquid and serve as nucleation precursors, are actually amorphous solid particles (ASPs) and act only as heterogeneous nucleation sites. Crystalline phases never form inside them. We demonstrate that a crystal appears within a noncrystalline particle assembling lysozyme on an ASP or a container wall, highlighting the role of heterogeneous nucleation. These findings represent a significant departure from the existing formulation of the two-step nucleation mechanism while reaffirming the role of noncrystalline particles. The insights gained may have significant implications in areas that rely on the production of protein crystals, such as structural biology, pharmacy, and biophysics, and for the fundamental understanding of crystallization mechanisms.
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van de Streek, Jacco; Neumann, Marcus A
2010-10-01
This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 A either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect.
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International Nuclear Information System (INIS)
Demo, Gabriel; Fliedrová, Barbora; Weignerová, Lenka; Wimmerová, Michaela
2013-01-01
β-Mannosidase from Aspergillus niger was crystallized in the presence of d-mannose and the crystal diffracted to 2.41 Å resolution. The crystal belonged to the space group P1 with unit-cell parameters a= 62.37, b = 69.73, c = 69.90 Å, α = 108.20, β = 101.51, γ = 103.20°. β-Mannosidase (EC 3.2.1.25) is an important exoglycosidase specific for the hydrolysis of terminal β-linked mannoside in various oligomeric saccharide structures. β-Mannosidase from Aspergillus niger was expressed in Pichia pastoris and purified to clear homogeneity. β-Mannosidase was crystallized in the presence of d-mannose and the crystal diffracted to 2.41 Å resolution. The crystal belonged to space group P1, with unit-cell parameters a = 62.37, b = 69.73, c = 69.90 Å, α = 108.20, β = 101.51, γ = 103.20°. The parameters derived from the data collection indicate the presence of one molecule in the asymmetric unit
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Mishra, Sapna; Kumar, Peeyush; Malik, Anushree
2015-10-01
Entomopathogenic fungi that manifest infections by overcoming insect's immune response could be a successful control agent for the house fly, Musca domestica L. which is a major domestic, medical, and veterinary pest. In this study, the immune response of house fly to Beauveria bassiana infection was investigated to reveal fundamental aspects of house fly hemocyte biology, such as hemocyte numbers and size, which is poorly understood. The total hemocyte counts (THCs) in B. bassiana-infected house fly showed an initial increase (from 6 to 9 h), followed by subsequent decrease (9 to 12 h) with increase in time of infection. The THCs was slightly greater in infected flies than the non-infected ones. Insight into relative hemocyte counts depicted a significant increase in prohemocyte (PR) and decrease in granulocyte (GR) in infected house flies compared to non-infected ones. The relative cell area of hemocyte cells showed a noticeable increase in PR and intermediate cells (ICs), while a considerable reduction was observed for plasmatocyte (PL) and GR. The considerable variation in relative cell number and cell area in the B. bassiana-infected house flies indicated stress development during infection. The present study highlights changes occurring during B. bassiana invasion to house fly leading to establishment of infection along with facilitation in understanding of basic hemocyte biology. The results of the study is expected to help in better understanding of house fly immune response during fungal infection, so as to assist production of more efficient mycoinsecticides for house fly control using B. bassiana.
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Crystallization of Δ{sup 1}-tetrahydrocannabinolic acid (THCA) synthase from Cannabis sativa
Energy Technology Data Exchange (ETDEWEB)
Shoyama, Yoshinari; Takeuchi, Ayako; Taura, Futoshi [Faculty of Pharmaceutical Sciences, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan); Tamada, Taro; Adachi, Motoyasu; Kuroki, Ryota [Neutron Science Research Center, Japan Atomic Energy Research Institute, 2-4 Shirakata-Shirane, Tokai, Ibaraki 319-1195 (Japan); Shoyama, Yukihiro; Morimoto, Satoshi [Faculty of Pharmaceutical Sciences, Kyushu University, 3-1-1 Maidashi, Higashi-ku, Fukuoka 812-8582 (Japan)
2005-08-01
Δ{sup 1}-Tetrahydrocannabinolic acid (THCA) synthase from C. sativa was crystallized. The crystal diffracted to 2.7 Å resolution with sufficient quality for further structure determination. Δ{sup 1}-Tetrahydrocannabinolic acid (THCA) synthase is a novel oxidoreductase that catalyzes the biosynthesis of the psychoactive compound THCA in Cannabis sativa (Mexican strain). In order to investigate the structure–function relationship of THCA synthase, this enzyme was overproduced in insect cells, purified and finally crystallized in 0.1 M HEPES buffer pH 7.5 containing 1.4 M sodium citrate. A single crystal suitable for X-ray diffraction measurement was obtained in 0.09 M HEPES buffer pH 7.5 containing 1.26 M sodium citrate. The crystal diffracted to 2.7 Å resolution at beamline BL41XU, SPring-8. The crystal belonged to the primitive cubic space group P432, with unit-cell parameters a = b = c = 178.2 Å. The calculated Matthews coefficient was approximately 4.1 or 2.0 Å{sup 3} Da{sup −1} assuming the presence of one or two molecules of THCA synthase in the asymmetric unit, respectively.
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Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering
Shi, Dong; Qin, X.; Li, Yuan; He, Yao; Zhong, Cheng; Pan, Jun; Dong, H.; Xu, Wei; Li, T.; Hu, W.; Bredas, Jean-Luc; Bakr, Osman
2016-01-01
bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure
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The Rho-family GTPase Rac1 regulates integrin localization in Drosophila immunosurveillance cells.
Directory of Open Access Journals (Sweden)
Miguel J Xavier
Full Text Available BACKGROUND: When the parasitoid wasp Leptopilina boulardi lays an egg in a Drosophila larva, phagocytic cells called plasmatocytes and specialized cells known as lamellocytes encapsulate the egg. The Drosophila β-integrin Myospheroid (Mys is necessary for lamellocytes to adhere to the cellular capsule surrounding L. boulardi eggs. Integrins are heterodimeric adhesion receptors consisting of α and β subunits, and similar to other plasma membrane receptors undergo ligand-dependent endocytosis. In mammalian cells it is known that integrin binding to the extracellular matrix induces the activation of Rac GTPases, and we have previously shown that Rac1 and Rac2 are necessary for a proper encapsulation response in Drosophila larvae. We wanted to test the possibility that Myospheroid and Rac GTPases interact during the Drosophila anti-parasitoid immune response. RESULTS: In the current study we demonstrate that Rac1 is required for the proper localization of Myospheroid to the cell periphery of haemocytes after parasitization. Interestingly, the mislocalization of Myospheroid in Rac1 mutants is rescued by hyperthermia, involving the heat shock protein Hsp83. From these results we conclude that Rac1 and Hsp83 are required for the proper localization of Mys after parasitization. SIGNIFICANCE: We show for the first time that the small GTPase Rac1 is required for Mysopheroid localization. Interestingly, the necessity of Rac1 in Mys localization was negated by hyperthermia. This presents a problem, in Drosophila we quite often raise larvae at 29°C when using the GAL4/UAS misexpression system. If hyperthermia rescues receptor endosomal recycling defects, raising larvae in hyperthermic conditions may mask potentially interesting phenotypes.
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Phormidium phycoerythrin forms hexamers in crystals: a crystallographic study
Sonani, Ravi Raghav; Sharma, Mahima; Gupta, Gagan Deep; Kumar, Vinay; Madamwar, Datta
2015-01-01
The crystallographic analysis of a marine cyanobacterium (Phormidium sp. A09DM) phycoerythrin (PE) that shows distinct sequence features compared with known PE structures from cyanobacteria and red algae is reported. Phormidium PE was crystallized using the sitting-drop vapour-diffusion method with ammonium sulfate as a precipitant. Diffraction data were collected on the protein crystallography beamline at the Indus-2 synchrotron. The crystals diffracted to about 2.1 Å resolution at 100 K. The crystals, with an apparent hexagonal morphology, belonged to space group P1, with unit-cell parameters a = 108.3, b = 108.4 Å, c = 116.6 Å, α = 78.94, β = 82.50, γ = 60.34°. The molecular-replacement solution confirmed the presence of 12 αβ monomers in the P1 cell. The Phormidium PE elutes as an (αβ)3 trimer of αβ monomers from a molecular-sieve column and exists as [(αβ)3]2 hexamers in the crystal lattice. Unlike red algal PE proteins, the hexamers of Phormidium PE do not form higher-order structures in the crystals. The existence of only one characteristic visual absorption band at 564 nm suggests the presence of phycoerythrobilin chromophores, and the absence of any other types of bilins, in the Phormidium PE assembly. PMID:26249689
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Thermoelectricity in liquid crystals
Mohd Said, Suhana; Nordin, Abdul Rahman; Abdullah, Norbani; Balamurugan, S.
2015-09-01
The thermoelectric effect, also known as the Seebeck effect, describes the conversion of a temperature gradient into electricity. A Figure of Merit (ZT) is used to describe the thermoelectric ability of a material. It is directly dependent on its Seebeck coefficient and electrical conductivity, and inversely dependent on its thermal conductivity. There is usually a compromise between these parameters, which limit the performance of thermoelectric materials. The current achievement for ZT~2.2 falls short of the expected threshold of ZT=3 to allow its viability in commercial applications. In recent times, advances in organic thermoelectrics been significant, improving by over 3 orders of magnitude over a period of about 10 years. Liquid crystals are newly investigated as candidate thermoelectric materials, given their low thermal conductivity, inherent ordering, and in some cases, reasonable electrical conductivity. In this work the thermoelectric behaviour of a discotic liquid crystal, is discussed. The DLC was filled into cells coated with a charge injector, and an alignment of the columnar axis perpendicular to the substrate was allowed to form. This thermoelectric behavior can be correlated to the order-disorder transition. A reasonable thermoelectric power in the liquid crystal temperature regime was noted. In summary, thermoelectric liquid crystals may have the potential to be utilised in flexible devices, as a standalone power source.
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Crystallization and preliminary X-ray crystallographic studies of human FAIM protein
International Nuclear Information System (INIS)
Li, Guoming; Qu, Linglong; Meng, Geng; Bai, Xiaoyun; Dai, Kesheng; Zheng, Xiaofeng
2010-01-01
Full-length human Fas apoptosis inhibitory molecule (FAIM) and two truncation constructs have successfully been cloned, expressed and purified in Escherichia coli. FAIM (1–90) was crystallized and diffracted to a resolution of 2.5 Å. Fas apoptosis inhibitory molecule (FAIM), an antagonist of Fas-induced cell death, is highly conserved and is broadly expressed in many tissues. It has been found that FAIM can stimulate neurite outgrowth in PC12 cells and primary neurons. However, the molecular mechanisms of action of FAIM are not understood in detail. Here, full-length human FAIM and two truncation constructs have successfully been cloned, expressed and purified in Escherichia coli. FAIM (1–90) was crystallized and diffracted to a resolution of 2.5 Å; the crystal belonged to space group P3 1 , with unit-cell parameters a = b = 58.02, c = 71.11 Å, α = β = 90, γ = 120°. There were two molecules in the asymmetric unit
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Monomial Crystals and Partition Crystals
Tingley, Peter
2010-04-01
Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.
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Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures
Directory of Open Access Journals (Sweden)
Vassilios Yannopapas
2015-03-01
Full Text Available We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.
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Unidirectional Wave Propagation in Low-Symmetric Colloidal Photonic-Crystal Heterostructures.
Yannopapas, Vassilios
2015-03-19
We show theoretically that photonic crystals consisting of colloidal spheres exhibit unidirectional wave propagation and one-way frequency band gaps without breaking time-reversal symmetry via, e.g., the application of an external magnetic field or the use of nonlinear materials. Namely, photonic crystals with low symmetry such as the monoclinic crystal type considered here as well as with unit cells formed by the heterostructure of different photonic crystals show significant unidirectional electromagnetic response. In particular, we show that the use of scatterers with low refractive-index contrast favors the formation of unidirectional frequency gaps which is the optimal route for achieving unidirectional wave propagation.
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The polymorphic weddellite crystals in three species of Cephalocereus (Cactaceae).
Bárcenas-Argüello, María-Luisa; Gutiérrez-Castorena, Ma C-del-Carmen; Terrazas, Teresa
2015-10-01
Mineral inclusions in plant cells are genetically regulated, have an ecological function and are used as taxonomic characters. In Cactaceae, crystals in epidermal and cortical tissues have been reported; however, few studies have conducted chemical and morphological analyses on these crystals, and even fewer have reported non-mineral calcium to determine its systematic value. Cephalocereus apicicephalium, C. totolapensis and C. nizandensis are Cactaceae species endemic to the Isthmus of Tehuantepec, Mexico with abundant epidermal prismatic crystals. In the present study, we characterize the mineral cell inclusions, including their chemical composition and their morphology, for three species of Cephalocereus. Crystals of healthy branches of the three species were isolated and studied. The crystals were identified by X-ray diffraction (XRD), their morphology was described using a petrographic and scanning electron microscope (SEM), and their elemental composition was measured with Energy Dispersive X-ray (EDXAR). The three species synthesized weddellite with different degrees of hydration depending on the species. The optical properties of calcium oxalate crystals were different from the core, which was calcium carbonate. We observed a large diversity of predominantly spherical forms with SEM. EDXAR analysis detected different concentrations of Ca and significant amounts of elements, such as Si, Mg, Na, K, Cl, and Fe, which may be related to the edaphic environment of these cacti. The occurrence of weddellite is novel for the genus according to previous reports. The morphological diversity of the crystals may be related to their elemental composition and may be a source of phylogenetic characters. Copyright © 2015 Elsevier Ltd. All rights reserved.
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Crystallization and preliminary X-ray diffraction analysis of red clover necrotic mosaic virus
International Nuclear Information System (INIS)
Martin, Stanton L.; Guenther, Richard H.; Sit, Tim L.; Swartz, Paul D.; Meilleur, Flora; Lommel, Steven A.; Rose, Robert B.
2010-01-01
Virions of red clover necrotic mosaic virus have been purified and crystallized. The space group was determined to be I23, with unit-cell parameter a = 377.8 Å. The crystals diffracted to 4 Å resolution. Red clover necrotic mosaic virus (RCNMV) is a species that belongs to the Tombusviridae family of plant viruses with a T = 3 icosahedral capsid. RCNMV virions were purified and were crystallized for X-ray analysis using the hanging-drop vapor-diffusion method. Self-rotation functions and systematic absences identified the space group as I23, with two virions in the unit cell. The crystals diffracted to better than 4 Å resolution but were very radiation-sensitive, causing rapid decay of the high-resolution reflections. The data were processed to 6 Å in the analysis presented here
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Purification, crystallization and preliminary X-ray diffraction analysis of human Gadd45γ
International Nuclear Information System (INIS)
Zhang, Wenzheng; Zhao, Mingzhuo; Li, Jianhui; Li, Xuemei; Zeng, ZongHao; Rao, Zihe
2008-01-01
The human Gadd45γ protein has been crystallized as a prelude towards determination of its three-dimensional structure by X-ray crystallography. Gadd45, MyD118 and CR6 (also termed Gadd45α, Gadd45β and Gadd45γ, respectively) comprise a family of proteins that play important roles in negative growth control, maintenance of genomic stability, DNA repair, cell-cycle control and apoptosis. Recombinant human Gadd45γ and its selenomethionine derivative were expressed in an Escherichia coli expression system and purified; they were then crystallized using the hanging-drop vapour-diffusion method. Diffraction-quality crystals were grown at 291 K using PEG 3350 as precipitant. Using synchrotron radiation, the best diffraction data were collected to 2.3 Å resolution for native crystals at 100 K; selenomethionyl derivative data were collected to 3.3 Å resolution. All the crystals belonged to space group I2 1 3, with approximate unit-cell parameters a = b = c = 126 Å
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International Nuclear Information System (INIS)
Yang Tao; Chen Zheng; Zhang Jing; Wang Yongxin; Lu Yanli
2016-01-01
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. (paper)
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Crystallization of SHARPIN using an automated two-dimensional grid screen for optimization
International Nuclear Information System (INIS)
Stieglitz, Benjamin; Rittinger, Katrin; Haire, Lesley F.
2012-01-01
The expression, purification and crystallization of an N-terminal fragment of SHARPIN are reported. Diffraction-quality crystals were obtained using a two-dimensional grid-screen seeding technique. An N-terminal fragment of human SHARPIN was recombinantly expressed in Escherichia coli, purified and crystallized. Crystals suitable for X-ray diffraction were obtained by a one-step optimization of seed dilution and protein concentration using a two-dimensional grid screen. The crystals belonged to the primitive tetragonal space group P4 3 2 1 2, with unit-cell parameters a = b = 61.55, c = 222.81 Å. Complete data sets were collected from native and selenomethionine-substituted protein crystals at 100 K to 2.6 and 2.0 Å resolution, respectively
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Crystallization and preliminary X-ray analysis of the V domain of human nectin-2
International Nuclear Information System (INIS)
Qian, Xiaomin; Qi, Jianxun; Chu, Fuliang; Liu, Jun; Li, Qing; Yan, Jinghua
2009-01-01
Crystals of the V domain of human nectin-2 diffracted to 1.85 Å resolution and were monoclinic, belonging to space group P2 1 , with unit-cell parameters a = 52.3, b = 43.9, c = 56.1 Å, β = 118.2°. Nectin-2 belongs to a family of immunoglobulin-like cell adhesion molecules that are characterized by the presence of three immunoglobulin-like domains (V, C2 and C2) in the extracellular region. The V domain plays important roles in cell adhesion, NK cell activation and the entry of some herpesvirus. In this study, the V domain of human nectin-2 was expressed in Escherichia coli in the form of inclusion bodies, which were subsequently denatured and refolded. The soluble protein was crystallized using the hanging-drop vapour-diffusion method. The crystals diffracted to 1.85 Å resolution and belonged to space group P2 1 , with unit-cell parameters a = 52.3, b = 43.9, c = 56.1 Å, β = 118.2°
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International Nuclear Information System (INIS)
Rathika, A.; Prasad, L. Guru; Raman, R. Ganapathi
2016-01-01
Single crystals of Dimethylammonium p-nitrophenolate–p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.
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Energy Technology Data Exchange (ETDEWEB)
Rathika, A. [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India); Prasad, L. Guru [Departemnt of Science & Humanities, M. Kumarasamy College of Engineering, Karur (India); Raman, R. Ganapathi, E-mail: ganapathiraman83@gmail.com [Department of Physics, Noorul Islam Centre for Higher Education, Noorul Islam University, Kumaracoil 629 180 (India)
2016-03-15
Single crystals of Dimethylammonium p-nitrophenolate–p-nitrophenol have been grown from aqueous solution by slow evaporation solution growth technique. Unit cell parameters of the grown crystal were confirmed by single crystal X-ray diffraction analysis and the synthesized compound is crystallized in monoclinic system. Various functional groups and their vibrational frequencies were recognized from the FT-IR and FT-Raman spectrum. Thermal stability of the crystal was examined by recording the TGA/DTA curve. The grown crystal has wider transparency nature in the visible region and the lower cut-off wavelength is found at 465 nm. Mechanical property of the crystal was studied by analyzing the Vicker's microhardness measurements. The fluorescence emission from the crystal is observed at 350 nm which arise due to the presence of aromatic ring. Relative SHG conversion efficiency of the grown crystal is about 0.59 times that of KDP.
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Static and dynamic properties of three-dimensional dot-type magnonic crystals
International Nuclear Information System (INIS)
Maksymov, Artur; Spinu, Leonard
2016-01-01
The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.
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Static and dynamic properties of three-dimensional dot-type magnonic crystals
Energy Technology Data Exchange (ETDEWEB)
Maksymov, Artur, E-mail: maxyartur@gmail.com [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of General Physics, Chernivtsi National University, Chernivtsi 58012 (Ukraine); Spinu, Leonard [Advanced Materials Research Institute, University of New Orleans, LA 70148 (United States); Department of Physics, University of New Orleans, New Orleans, LA 70148 (United States)
2016-04-01
The static and dynamic magnetization of three-dimensional magnonic metamaterials has been investigated. By numerical means it was analyzed the impact of space dimensionality on the properties of magnonic crystal with unit cell consisting of four dots. It is find out the possibility of multi-vortex core formation which is related to the increasing of the crystal height by three-dimensional periodicity of single crystal layer. Additionally is provided the analysis of ferromagnetic resonance phenomenon for two-dimensional and three-dimensional structures. For the unsaturated magnetization of three-dimensional crystal the several pronounced resonance frequencies were detected.
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Geometrical optics approach in liquid crystal films with three-dimensional director variations.
Panasyuk, G; Kelly, J; Gartland, E C; Allender, D W
2003-04-01
A formal geometrical optics approach (GOA) to the optics of nematic liquid crystals whose optic axis (director) varies in more than one dimension is described. The GOA is applied to the propagation of light through liquid crystal films whose director varies in three spatial dimensions. As an example, the GOA is applied to the calculation of light transmittance for the case of a liquid crystal cell which exhibits the homeotropic to multidomainlike transition (HMD cell). Properties of the GOA solution are explored, and comparison with the Jones calculus solution is also made. For variations on a smaller scale, where the Jones calculus breaks down, the GOA provides a fast, accurate method for calculating light transmittance. The results of light transmittance calculations for the HMD cell based on the director patterns provided by two methods, direct computer calculation and a previously developed simplified model, are in good agreement.
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Lesiak, Piotr; Budaszewski, Daniel; Bednarska, Karolina; Wójcik, Michał; Sobotka, Piotr; Chychłowski, Miłosz; Woliński, Tomasz R.
2017-05-01
In this work we studied a newly reported class of nonlinear effects observed in 5CB liquid crystals doped with gold nanoparticles (GNPs). The size of the GNP was determined by direct TEM imaging and by X-ray scattering of the diluted NP solution. GNPs was coated by thiols with the ratio of mesogenic to n-alkyl thiols varying from 1:2 to 1:1. The research involved comparing properties of both undoped and doped 5CB (nematic LC) by infiltrating LC cell and microholes of the photonic crystal fiber (PCF) separately. In our experiment the PCF fiber type LMA-10 made by NKT Photonics as host material has been used.
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International Nuclear Information System (INIS)
Santiago, César; Gutiérrez-Rodríguez, Angel; Tucker, Paul A.; Stehle, Thilo; Casasnovas, José M.
2009-01-01
A complex of the measles virus hemagglutinin and the CD46 receptor representing the initial step of the cell infection has been crystallized. The measles virus (MV) hemagglutinin (MV-H) mediates the attachment of MV particles to cell-surface receptors for entry into host cells. MV uses two receptors for attachment to host cells: the complement-control protein CD46 and the signalling lymphocyte activation molecule (SLAM). The MV-H glycoprotein from an Edmonston MV variant and the MV-binding fragment of the CD46 receptor were overproduced in mammalian cells and used to crystallize an MV-H–CD46 complex. Well diffracting crystals containing two complexes in the asymmetric unit were obtained and the structure of the complex was solved by the molecular-replacement method
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Energy Technology Data Exchange (ETDEWEB)
Roshchupkin, Dmitry; Emelin, Evgenii [Russian Academy of Sciences, Institute of Microelectronics Technology and High-Purity Materials, Chernogolovka, Moscow District (Russian Federation); National University of Science and Technology MISiS, Moscow (Russian Federation); Ortega, Luc [Univ. Paris-Sud, CNRS, UMR 8502, Laboratoire de Physique des Solides, Orsay Cedex (France); Plotitcyna, Olga; Irzhak, Dmitry [Russian Academy of Sciences, Institute of Microelectronics Technology and High-Purity Materials, Chernogolovka, Moscow District (Russian Federation); Erko, Alexei; Zizak, Ivo; Vadilonga, Simone [Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Institute for Nanometre Optics and Technology, Berlin (Germany); Buzanov, Oleg [FOMOS Materials Co., Moscow (Russian Federation); Leitenberger, Wolfram [Universitaet Potsdam Institut fuer Physik, Potsdam (Germany)
2016-08-15
Ca{sub 3}NbGa{sub 3}Si{sub 2}O{sub 14} (CNGS), a five-component crystal of lanthanum-gallium silicate group, was grown by the Czochralski method. The parameters of the elementary unit cell of the crystal were measured by powder diffraction. The independent piezoelectric strain coefficients d{sub 11} and d{sub 14} were determined by the triple-axis X-ray diffraction in the Bragg and Laue geometries. Excitation and propagation of surface acoustic waves (SAW) were studied by high-resolution X-ray diffraction at BESSY II synchrotron radiation source. The velocity of SAW propagation and power flow angles in the Y-, X- and yxl/+36 {sup circle} -cuts of the CNGS crystal were determined from the analysis of the diffraction spectra. The CNGS crystal was found practically isotropic by its acoustic properties. (orig.)
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Electrically Anisotropic Layered Perovskite Single Crystal
Li, Ting-You
2016-04-01
Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.
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The crystal structure of tris(thenoyltrifluoroacetonato)bis(triphenylphosphine oxide)neodymium(III)
International Nuclear Information System (INIS)
Leipoldt, J.G.; Bok, L.D.C.; Laubscher, A.E.; Basson, S.S.
1975-01-01
The crystal structure of tris(thenoyltrifluoroacetonato)bis= x (triphenylphosphine oxide)neodymium(III), (Nd(TTa) 3 .2TPPO), has been determined by single crystal X-ray diffraction. A total number of 5505 independent reflections was used for the structure determination. The complex crystallized in the triclinic space group P 1 - with two molecules in the unit cell. The cell dimensions are a = 23.64 A, b Z= 12.15 A, C 11.19 A, α = 109.4 0 , β = 104.2 0 , γ = 90.8 0 . The final calculated R vale is 8.4%. The molecule is monomeric and the neodymium atom is coordinated to eight oxygen atoms (six from the three thenoyltrifluoroacetone groups and two from the two triphenylphosphine groups) which form a dodecahedron. The average neodymium-oxygen bond length is 2.44 A. (author)
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Band structures in fractal grading porous phononic crystals
Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin
2018-05-01
In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.
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International Nuclear Information System (INIS)
Streek, Jacco van de; Neumann, Marcus A.
2010-01-01
The accuracy of a dispersion-corrected density functional theory method is validated against 241 experimental organic crystal structures from Acta Cryst. Section E. This paper describes the validation of a dispersion-corrected density functional theory (d-DFT) method for the purpose of assessing the correctness of experimental organic crystal structures and enhancing the information content of purely experimental data. 241 experimental organic crystal structures from the August 2008 issue of Acta Cryst. Section E were energy-minimized in full, including unit-cell parameters. The differences between the experimental and the minimized crystal structures were subjected to statistical analysis. The r.m.s. Cartesian displacement excluding H atoms upon energy minimization with flexible unit-cell parameters is selected as a pertinent indicator of the correctness of a crystal structure. All 241 experimental crystal structures are reproduced very well: the average r.m.s. Cartesian displacement for the 241 crystal structures, including 16 disordered structures, is only 0.095 Å (0.084 Å for the 225 ordered structures). R.m.s. Cartesian displacements above 0.25 Å either indicate incorrect experimental crystal structures or reveal interesting structural features such as exceptionally large temperature effects, incorrectly modelled disorder or symmetry breaking H atoms. After validation, the method is applied to nine examples that are known to be ambiguous or subtly incorrect
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Crystallization and preliminary X-ray crystallographic analysis of dioscorin from Dioscorea japonica
International Nuclear Information System (INIS)
Xue, You-Lin; Miyakawa, Takuya; Sawano, Yoriko; Tanokura, Masaru
2012-01-01
Dioscorin from D. japonica was expressed, purified and crystallized using the sitting-drop vapour-diffusion method. The dioscorin crystal diffracted X-rays to 2.11 Å resolution. Dioscorin, the major tuber storage protein in yam, has been reported to possess carbonic anhydrase, trypsin inhibitor, angiotensin-converting enzyme (ACE) inhibitor, free-radical scavenger, dehydroascorbate reductase and monodehydroascorbate reductase activities. Recent research has also found that dioscorin can enhance immune modulation via the toll-like receptor 4 (TLR-4) signal transduction pathway in RAW 264.7 cells, murine bone-marrow cells and human monocytes ex vivo. Resolving the structure of dioscorin would help in better understanding its activities and would provide clues to understanding the mechanism of its multiple functions. The full-length protein (residues 1–246) with an additional His 6 tag at the N-terminus was expressed in Escherichia coli Rosetta (DE3) cells. After His-tag cleavage and purification, the protein was crystallized by the sitting-drop vapour-diffusion method at 278 K. An X-ray diffraction data set was collected to a resolution of 2.11 Å using a synchrotron X-ray source. The crystal belonged to space group C222 1 , with unit-cell parameters a = 83.5, b = 156.8, c = 83.6 Å, and was estimated to contain two protein molecules per asymmetric unit
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International Nuclear Information System (INIS)
Couñago, Rafael Miguez; Fleming, Stephen B.; Mercer, Andrew A.; Krause, Kurt L.
2010-01-01
The chemokine-binding protein from orf virus was purified and crystallized. The morphology and diffraction behaviour of these crystals was significantly improved through the use of additives known as Silver Bullets. The parapoxvirus orf virus (ORFV) encodes a chemokine-binding protein (CBP) that functions to downregulate the host’s immune response at the site of infection by blocking the chemokine-induced recruitment of immune cells. In order to shed light on the structural determinants of CBP–chemokine binding, ORFV CBP was crystallized as part of an ongoing structure–function study on this protein. ORFV CBP crystals were obtained by the sitting-drop vapour-diffusion technique using ammonium citrate as a precipitant. The crystal quality was greatly improved through the addition of small-molecule additives to the crystallization mother liquor. ORFV CBP crystals diffracted X-rays to 2.50 Å resolution and belonged to the hexagonal space group P6 1 22 or its enantiomorph P6 5 22, with unit-cell parameters a = b = 75.62, c = 282.49 Å, α = 90, β = 90, γ = 120°
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Directory of Open Access Journals (Sweden)
Luminiţa Măruţescu
2017-07-01
Full Text Available Three complexes, namely [Co(dmtp2(OH24][CoCl4] (1, [Co(dmtp2Cl2] (2 and [Co(dmtp2(OH24]Cl2∙2H2O (3 (dmtp: 5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidine, were synthesized and characterized by spectral (IR, UV-Vis-NIR, and magnetic measurements at room temperature, as well as single crystal X-ray diffraction. Complex (1 crystallizes in monoclinic system (space group C2/c, complex (2 adopts an orthorhombic system (space group Pbca, and complex (3 crystallizes in triclinic system (space group P1. Various types of extended hydrogen bonds and π–π interactions provide a supramolecular architecture for all complexes. All species were evaluated for antimicrobial activity towards planktonic and biofilm-embedded microbial cells and influence on HEp-2 cell viability, cellular cycle and gene expression.
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Crystallization and diffraction analysis of thioredoxin reductase from Streptomyces coelicolor
International Nuclear Information System (INIS)
Koháryová, Michaela; Brynda, Jiří; Řezáčová, Pavlína; Kollárová, Marta
2011-01-01
Thioredoxin reductase from S. coelicolor was crystallized and diffraction data were collected to 2.4 Å resolution. Thioredoxin reductases are homodimeric flavoenzymes that catalyze the transfer of electrons from NADPH to oxidized thioredoxin substrate. Bacterial thioredoxin reductases represent a promising target for the development of new antibiotics. Recombinant thioredoxin reductase TrxB from Streptomyces coelicolor was crystallized using the hanging-drop vapour-diffusion method. X-ray diffraction data were collected from cryocooled crystals to 2.4 Å resolution using a synchrotron-radiation source. The crystals belonged to the primitive monoclinic space group P2 1 , with unit-cell parameters a = 82.9, b = 60.6, c = 135.4 Å, α = γ = 90.0, β = 96.5°
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International Nuclear Information System (INIS)
Kanaujia, Shankar Prasad; Ranjani, Chellamuthu Vasuki; Jeyakanthan, Jeyaraman; Baba, Seiki; Chen, Lirong; Liu, Zhi-Jie; Wang, Bi-Cheng; Nishida, Masami; Ebihara, Akio; Shinkai, Akeo; Kuramitsu, Seiki; Shiro, Yoshitsugu; Sekar, Kanagaraj; Yokoyama, Shigeyuki
2006-01-01
The molybdenum-cofactor biosynthesis protein C from T. thermophilus has been crystallized in two different space groups, P2 1 and R32; the crystals diffracted to 1.9 and 1.75 Å resolution, respectively. The Gram-negative aerobic eubacterium Thermus thermophilus is an extremely important thermophilic microorganism that was originally isolated from a thermal vent environment in Japan. The molybdenum cofactor in this organism is considered to be an essential component required by enzymes that catalyze diverse key reactions in the global metabolism of carbon, nitrogen and sulfur. The molybdenum-cofactor biosynthesis protein C derived from T. thermophilus was crystallized in two different space groups. Crystals obtained using the first crystallization condition belong to the monoclinic space group P2 1 , with unit-cell parameters a = 64.81, b = 109.84, c = 115.19 Å, β = 104.9°; the crystal diffracted to a resolution of 1.9 Å. The other crystal form belonged to space group R32, with unit-cell parameters a = b = 106.57, c = 59.25 Å, and diffracted to 1.75 Å resolution. Preliminary calculations reveal that the asymmetric unit contains 12 monomers and one monomer for the crystals belonging to space group P2 1 and R32, respectively
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CCDC 1024814: Experimental Crystal Structure Determination : 1,3-Dimesitylimidazolidine-2-selenone
Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gó mez-Suá rez, Adriá n; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Chen, Jiawei
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Chen, Jiawei
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Performance of an electromagnetic calorimeter with lead-tungstate crystals
International Nuclear Information System (INIS)
Kohara, R.; Sugitate, T.; Sugita, N.; Tsuchimoto, Y.; Toyoda, D.; Homma, K.; Yamazaki, H.
2003-01-01
The performance of an electromagnetic calorimeter with lead-tungstate (PWO) crystals was tested by using 1 GeV photons. The calorimeter consisted of nine crystals of 20 x 20 x 200 mm in size arranged in a 3 x 3 array. The energy resolution was obtained to be σ E /E = (2.50 ± 0.75%) / √E + (1.25 ± 0.34%) with a photomultiplier tube (PMT) reading all signals. Another setup, reading the central cell with an avalanche photo diode (APD) and the surrounding 8 cells with the PMT, was also studied, however, its energy resolution was not scaled with the stochastic function and we found the resolution of about 10% around 1 GeV. (author)
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Expression, purification and crystallization of the Cmi immunity protein from Escherichia coli
International Nuclear Information System (INIS)
Römer, Christin; Patzer, Silke I.; Albrecht, Reinhard; Zeth, Kornelius; Braun, Volkmar
2011-01-01
The colicin M immunity protein Cmi protects E. coli cells against killing by colicin M. The Cmi protein was produced for structure determination and crystals were obtained which diffracted to high resolution. Many bacteria kill related bacteria by secretion of bacteriocins. In Escherichia coli, the colicin M protein kills E. coli after uptake into the periplasm. Self-protection from destruction is provided by the co-expressed immunity protein. The colicin M immunity protein (Cmi) was cloned, overexpressed and purified to homogeneity. The correct fold of purified Cmi was analyzed by activity tests and circular-dichroism spectroscopy. Crystallization trials yielded crystals, one of which diffracted to a resolution of 1.9 Å in the orthorhombic space group C222 1 . The crystal packing, with unit-cell parameters a = 66.02, b = 83.47, c = 38.30 Å, indicated the presence of one monomer in the asymmetric unit with a solvent content of 53%
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Local structural ordering in surface-confined liquid crystals
Śliwa, I.; Jeżewski, W.; Zakharov, A. V.
2017-06-01
The effect of the interplay between attractive nonlocal surface interactions and attractive pair long-range intermolecular couplings on molecular structures of liquid crystals confined in thin cells with flat solid surfaces has been studied. Extending the McMillan mean field theory to include finite systems, it has been shown that confining surfaces can induce complex orientational and translational ordering of molecules. Typically, local smectic A, nematic, and isotropic phases have been shown to coexist in certain temperature ranges, provided that confining cells are sufficiently thick, albeit finite. Due to the nonlocality of surface interactions, the spatial arrangement of these local phases can display, in general, an unexpected complexity along the surface normal direction. In particular, molecules located in the vicinity of surfaces can still be organized in smectic layers, even though nematic and/or isotropic order can simultaneously appear in the interior of cells. The resulting surface freezing of smectic layers has been confirmed to occur even for rather weak surface interactions. The surface interactions cannot, however, prevent smectic layers from melting relatively close to system boundaries, even when molecules are still arranged in layers within the central region of the system. The internal interfaces, separating individual liquid-crystal phases, are demonstrated here to form fronts of local finite-size transitions that move across cells under temperature changes. Although the complex molecular ordering in surface confined liquid-crystal systems can essentially be controlled by temperature variations, specific thermal properties of these systems, especially the nature of the local transitions, are argued to be strongly conditioned to the degree of molecular packing.
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Energy Technology Data Exchange (ETDEWEB)
Ding, Shoujun; Lu, Wancheng; Xu, Jinrui [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui Province (China); University of Science and Technology of China, Hefei (China); Zhang, Qingli; Luo, Jianqiao; Liu, Wenpeng; Sun, Guihua; Sun, Dunlu [Anhui Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Hefei, Anhui Province (China)
2017-10-15
A novel mixed laser crystal of Nd:GdLaNbO{sub 4} (Nd:GLNO) was grown successfully by conventional Czochralski method. The unit cell parameters were obtained by Rietveld refinement method. The density of the as-grown crystal was measured by Archimedean buoyancy method and calculated in theory. Absorption spectrum of Nd:GLNO crystal was recorded at room temperature, and 11 absorption peaks were assigned. The defects of Nd:GLNO crystal were revealed by using chemical etching method with phosphoric acid as etchant. The mechanical properties (including hardness, yield strength, elastic stiffness constant, fracture toughness and brittleness index) were systemically estimated based on Vickers hardness test. All these obtained results play a quite important role in further investigation of Nd:GLNO crystal. (orig.)
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Crystallization and preliminary crystallographic analysis of human glycosylated haemoglobin
International Nuclear Information System (INIS)
Syakhovich, Vitaly E.; Saraswathi, N. T.; Ruff, Marc; Bokut, Sergey B.; Moras, Dino
2006-01-01
Non enzymatic modification of haemoglobin by glucose plays an important role in diabetes pathogenesis. Here the purification, characterization and crystallization of human glycosylated haemoglobin are reported. Human glycosylated haemoglobin A 1C is a stable minor variant formed in vivo by post-translational modification of the main form of haemoglobin by glucose. Crystals of oxyHbA 1C were obtained using the hanging-drop vapour-diffusion method and PEG as precipitant. The diffraction pattern of the crystal extends to a resolution of 2.3 Å at 120 K. The crystals belong to space group C2, with unit-cell parameters a = 237.98, b = 59.27, c = 137.02 Å, α = 90.00, β = 125.40, γ = 90.00°. The presence of two and a half molecules per asymmetric unit gives a crystal volume per protein weight (V M ) of 9.70 Å 3 Da −1 and a solvent content of 49%
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Crystallization and preliminary crystallographic analysis of human glycosylated haemoglobin
Energy Technology Data Exchange (ETDEWEB)
Syakhovich, Vitaly E. [Department of Biochemistry and Biophysics, International Sakharov Environmental University, Dolgobrodskaya St 23, 220009 Minsk (Belarus); Saraswathi, N. T.; Ruff, Marc, E-mail: ruff@igbmc.u-strasbg.fr [Département de Biologie et Génomique Structurales, Institut de Génétique et de Biologie Moléculaire et Cellulaire, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Bokut, Sergey B. [Department of Biochemistry and Biophysics, International Sakharov Environmental University, Dolgobrodskaya St 23, 220009 Minsk (Belarus); Moras, Dino [Département de Biologie et Génomique Structurales, Institut de Génétique et de Biologie Moléculaire et Cellulaire, 1 Rue Laurent Fries, BP 10142, 67404 Illkirch (France); Department of Biochemistry and Biophysics, International Sakharov Environmental University, Dolgobrodskaya St 23, 220009 Minsk (Belarus)
2006-02-01
Non enzymatic modification of haemoglobin by glucose plays an important role in diabetes pathogenesis. Here the purification, characterization and crystallization of human glycosylated haemoglobin are reported. Human glycosylated haemoglobin A{sub 1C} is a stable minor variant formed in vivo by post-translational modification of the main form of haemoglobin by glucose. Crystals of oxyHbA{sub 1C} were obtained using the hanging-drop vapour-diffusion method and PEG as precipitant. The diffraction pattern of the crystal extends to a resolution of 2.3 Å at 120 K. The crystals belong to space group C2, with unit-cell parameters a = 237.98, b = 59.27, c = 137.02 Å, α = 90.00, β = 125.40, γ = 90.00°. The presence of two and a half molecules per asymmetric unit gives a crystal volume per protein weight (V{sub M}) of 9.70 Å{sup 3} Da{sup −1} and a solvent content of 49%.
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Crystallization of a flavodoxin involved in nitrogen fixation in Rhodobacter capsulatus
Energy Technology Data Exchange (ETDEWEB)
Pérez-Dorado, Inmaculada [Grupo de Cristalografía Macromolecular y Biología Estructural, Instituto de Química-Física Rocasolano, CSIC, Serrano 119, 28006 Madrid (Spain); Bortolotti, Ana; Cortez, Néstor [Instituto de Biología Molecular y Celular de Rosario (Universidad Nacional de Rosario y CONICET), Suipacha 531, S2002LRK Rosario (Argentina); Hermoso, Juan A., E-mail: xjuan@iqfr.csic.es [Grupo de Cristalografía Macromolecular y Biología Estructural, Instituto de Química-Física Rocasolano, CSIC, Serrano 119, 28006 Madrid (Spain)
2008-05-01
The flavodoxin NifF from R. capsulatus, a candidate for nitrogenase reduction during nitrogen fixation, has been crystallized using the hanging-drop vapour-diffusion method. Preliminary X-ray data processing at 2.17 Å resolution allowed determination of the crystal system and unit-cell parameters. Flavodoxins are small electron-transfer proteins that contain one molecule of noncovalently bound flavin mononucleotide (FMN). The flavodoxin NifF from the photosynthetic bacterium Rhodobacter capsulatus is reduced by one electron from ferredoxin/flavodoxin:NADP(H) reductase and was postulated to be an electron donor to nitrogenase in vivo. NifF was cloned and overexpressed in Escherichia coli, purified and concentrated for crystallization using the hanging-drop vapour-diffusion method at 291 K. Crystals grew from a mixture of PEG 3350 and PEG 400 at pH 5.5 and belong to the tetragonal space group P4{sub 1}2{sub 1}2, with unit-cell parameters a = b = 66.49, c = 121.32 Å. X-ray data sets have been collected to 2.17 Å resolution.
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Crystallization of a flavodoxin involved in nitrogen fixation in Rhodobacter capsulatus
International Nuclear Information System (INIS)
Pérez-Dorado, Inmaculada; Bortolotti, Ana; Cortez, Néstor; Hermoso, Juan A.
2008-01-01
The flavodoxin NifF from R. capsulatus, a candidate for nitrogenase reduction during nitrogen fixation, has been crystallized using the hanging-drop vapour-diffusion method. Preliminary X-ray data processing at 2.17 Å resolution allowed determination of the crystal system and unit-cell parameters. Flavodoxins are small electron-transfer proteins that contain one molecule of noncovalently bound flavin mononucleotide (FMN). The flavodoxin NifF from the photosynthetic bacterium Rhodobacter capsulatus is reduced by one electron from ferredoxin/flavodoxin:NADP(H) reductase and was postulated to be an electron donor to nitrogenase in vivo. NifF was cloned and overexpressed in Escherichia coli, purified and concentrated for crystallization using the hanging-drop vapour-diffusion method at 291 K. Crystals grew from a mixture of PEG 3350 and PEG 400 at pH 5.5 and belong to the tetragonal space group P4 1 2 1 2, with unit-cell parameters a = b = 66.49, c = 121.32 Å. X-ray data sets have been collected to 2.17 Å resolution
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Crystal structure representations for machine learning models of formation energies
Energy Technology Data Exchange (ETDEWEB)
Faber, Felix [Department of Chemistry, Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, University of Basel Switzerland; Lindmaa, Alexander [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping Sweden; von Lilienfeld, O. Anatole [Department of Chemistry, Institute of Physical Chemistry and National Center for Computational Design and Discovery of Novel Materials, University of Basel Switzerland; Argonne Leadership Computing Facility, Argonne National Laboratory, 9700 S. Cass Avenue Lemont Illinois 60439; Armiento, Rickard [Department of Physics, Chemistry and Biology, Linköping University, SE-581 83 Linköping Sweden
2015-04-20
We introduce and evaluate a set of feature vector representations of crystal structures for machine learning (ML) models of formation energies of solids. ML models of atomization energies of organic molecules have been successful using a Coulomb matrix representation of the molecule. We consider three ways to generalize such representations to periodic systems: (i) a matrix where each element is related to the Ewald sum of the electrostatic interaction between two different atoms in the unit cell repeated over the lattice; (ii) an extended Coulomb-like matrix that takes into account a number of neighboring unit cells; and (iii) an ansatz that mimics the periodicity and the basic features of the elements in the Ewald sum matrix using a sine function of the crystal coordinates of the atoms. The representations are compared for a Laplacian kernel with Manhattan norm, trained to reproduce formation energies using a dataset of 3938 crystal structures obtained from the Materials Project. For training sets consisting of 3000 crystals, the generalization error in predicting formation energies of new structures corresponds to (i) 0.49, (ii) 0.64, and (iii) 0.37eV/atom for the respective representations.
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International Nuclear Information System (INIS)
Linke, Christian; Young, Paul G.; Kang, Hae Joo; Proft, Thomas; Baker, Edward N.
2010-01-01
The minor pilin FctB from S. pyogenes strain 90/306S was expressed in E. coli, purified and crystallized. The hexagonal FctB crystals diffracted to 2.9 Å resolution. The minor pilin FctB is an integral part of the pilus assembly expressed by Streptococcus pyogenes. Since it is located at the cell wall, it can be hypothesized that it functions as a cell-wall anchor for the streptococcal pilus. In order to elucidate its structure, the genes for FctB from the S. pyogenes strains 90/306S and SF370 were cloned for overexpression in Escherichia coli. FctB from strain 90/306S was crystallized by the sitting-drop vapour-diffusion method using sodium citrate as a precipitant. The hexagonal FctB crystals belonged to space group P6 1 or P6 5 , with unit-cell parameters a = b = 95.15, c = 100.25 Å, and diffracted to 2.9 Å resolution
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International Nuclear Information System (INIS)
Radzimanowski, Jens; Ravaud, Stephanie; Schott, Andrea; Strahl, Sabine; Sinning, Irmgard
2009-01-01
Overexpression, purification, crystallization and preliminary X-ray diffraction of the stromal-cell-derived factor 2-like protein of Arabidopsis thaliana are reported. The crystals belonged to the space group P6 1 and diffracted to 1.95 Å resolution. The stromal-cell-derived factor 2-like protein of Arabidopsis thaliana (AtSDL) has been shown to be highly up-regulated in response to unfolded protein response (UPR) inducing reagents, suggesting that it plays a crucial role in the plant UPR pathway. AtSDL has been cloned, overexpressed, purified and crystallized using the vapour-diffusion method. Two crystal forms have been obtained under very similar conditions. The needle-shaped crystals did not diffract X-rays, while the other form diffracted to 1.95 Å resolution using a synchrotron-radiation source and belonged to the hexagonal space group P6 1 , with unit-cell parameters a = b = 96.1, c = 69.3 Å
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Crystallization of calcium oxalate in minimally diluted urine
Bretherton, T.; Rodgers, A.
1998-09-01
Crystallization of calcium oxalate was studied in minimally diluted (92%) urine using a mixed suspension mixed product crystallizer in series with a Malvern particle sizer. The crystallization was initiated by constant flow of aqueous sodium oxalate and urine into the reaction vessel via two independent feed lines. Because the Malvern cell was in series with the reaction vessel, noninvasive measurement of particle sizes could be effected. In addition, aliquots of the mixed suspension were withdrawn and transferred to a Coulter counter for crystal counting and sizing. Steady-state particle size distributions were used to determine nucleation and growth kinetics while scanning electron microscopy was used to examine deposited crystals. Two sets of experiments were performed. In the first, the effect of the concentration of the exogenous sodium oxalate was investigated while in the second, the effect of temperature was studied. Calcium oxalate nucleation and growth rates were found to be dependent on supersaturation levels inside the crystallizer. However, while growth rate increased with increasing temperature, nucleation rates decreased. The favored phases were the trihydrate at 18°C, the dihydrate at 38° and the monohydrate at 58°C. The results of both experiments are in agreement with those obtained in other studies that have been conducted in synthetic and in maximally diluted urine and which have employed invasive crystal counting and sizing techniques. As such, the present study lends confidence to the models of urinary calcium oxalate crystallization processes which currently prevail in the literature.
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Dermal quercetin smartCrystals®: Formulation development, antioxidant activity and cellular safety.
Hatahet, T; Morille, M; Hommoss, A; Dorandeu, C; Müller, R H; Bégu, S
2016-05-01
Flavonoids are natural plant pigments, which possess high antioxidative and antiradical activities. However, their poor water solubility led to a limited bioavailability. To overcome this major hurdle, quercetin nanocrystals were produced implementing smartCrystals® technology. This process combines bead milling and subsequent high-pressure homogenization at relatively low pressure (300bar). To test the possibility to develop a dermal formulation from quercetin smartCrystals®, quercetin nanosuspensions were admixed to Lutrol® F127 and hydroxythylcellulose nonionic gels. The physicochemical properties (morphology, size and charge), saturation solubility, dissolution velocity and the antioxidant properties (DPPH assay) as well as the cellular interaction of the produced quercetin smartCrystals® were studied and compared to crude quercetin powder. Quercetin smartCrystals® showed a strong increase in the saturation solubility and the dissolution velocity (7.6 fold). SmartCrystals® loaded or not into gels proved to be physically stable over a period of three months at 25°C. Interestingly, in vitro DPPH assay confirmed the preservation of quercetin antioxidative properties after nanonization. In parallel, the nanocrystalline form did not display cellular toxicity, even at high concentration (50μg/ml), as assayed on an epithelial cell line (VERO cells). In addition, the nanocrystalline form confirmed a protective activity for VERO cells against hydrogen peroxide induced toxicity in vitro. This new formulation presents a promising approach to deliver quercetin efficiently to skin in well-tolerated formulations. Copyright © 2016 Elsevier B.V. All rights reserved.
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Smart window using a thermally and optically switchable liquid crystal cell
Oh, Seung-Won; Kim, Sang-Hyeok; Baek, Jong-Min; Yoon, Tae-Hoon
2018-02-01
Light shutter technologies that can control optical transparency have been studied extensively for developing curtain-free smart windows. We introduce thermally and optically switchable light shutters using LCs doped with push-pull azobenzene, which is known to speed up thermal relaxation. The liquid crystal light shutter can be switched between translucent and transparent states or transparent and opaque states by phase transition through changing temperature or photo-isomerization of doped azobenzene. The liquid crystal light shutter can be used for privacy windows with an initial translucent state or energy-saving windows with an initial transparent state.
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Crystallization and X-ray diffraction analysis of dihydropyrimidinase from Saccharomyces kluyveri
International Nuclear Information System (INIS)
Dobritzsch, Doreen; Andersen, Birgit; Piškur, Jure
2005-01-01
Dihydropyrimidinase from the yeast S. kluyveri was crystallized by vapour diffusion. The crystals belong to space group P2 1 (unit-cell parameters a = 91.0, b = 73.0, c = 161.4 Å, β = 91.4°) and diffracted to 2.6 Å resolution. Dihydropyrimidinase (EC 3.5.2.2) catalyzes the second step in the reductive pathway of pyrimidine degradation, the hydrolysis of 5,6-dihydrouracil and 5,6-dihydrothymine to the corresponding N-carbamylated β-amino acids. Crystals of the recombinant enzyme from the yeast Saccharomyces kluyveri diffracting to 2.6 Å at a synchrotron-radiation source have been obtained by the hanging-drop vapour-diffusion method. They belong to space group P2 1 (unit-cell parameters a = 91.0, b = 73.0, c = 161.4 Å, β = 91.4°), with one homotetramer per asymmetric unit
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International Nuclear Information System (INIS)
Madhurantakam, Chaithanya; Nilsson, Ola B.; Jönsson, Klas; Grönlund, Hans; Achour, Adnane
2009-01-01
The recombinant form of the allergen Can f 2 from C. familiaris was produced, isolated and crystallized in two different forms. Preliminary X-ray diffraction analyses are reported for the two crystal forms of Can f 2. The allergen Can f 2 from dog (Canis familiaris) present in saliva, dander and fur is an important cause of allergic sensitization worldwide. Here, the production, isolation, crystallization and preliminary X-ray diffraction analysis of two crystal forms of recombinant Can f 2 are reported. The first crystal form belonged to space group C222, with unit-cell parameters a = 68.7, b = 77.3, c = 65.1 Å, and diffracted to 1.55 Å resolution, while the second crystal form belonged to space group C2, with unit-cell parameters a = 75.7, b = 48.3, c = 68.7 Å, β = 126.5°, and diffracted to 2.1 Å resolution. Preliminary data analysis indicated the presence of a single molecule in the asymmetric unit for both crystal forms
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Boguś, M I; Wieloch, W; Ligęza-Żuber, M
2017-02-01
Coronatin-2, a 14.5 kDa protein, was isolated from culture filtrates of the entomopathogenic fungus Conidiobolus coronatus (Costantin) Batko (Entomophthoramycota: Entomophthorales). After LC-MS/MS (liquid chromatography tandem mass spectrometry) analysis of the tryptic peptide digest of coronatin-2 and a mass spectra database search no orthologs of this protein could be found in fungi. The highest homology was observed to the partial translation elongation factor 1a from Sphaerosporium equinum (protein sequence coverage, 21%), with only one peptide sequence, suggesting that coronatin-2 is a novel fungal protein that has not yet been described. In contrast to coronatin-1, an insecticidal 36 kDa protein, which shows both elastolytic and chitinolytic activity, coronatin-2 showed no enzymatic activity. Addition of coronatin-2 into cultures of hemocytes taken from larvae of Galleria mellonella Linnaeus (Lepidoptera: Pyralidae), resulted in progressive disintegration of nets formed by granulocytes and plasmatocytes due to rapid degranulation of granulocytes, extensive vacuolization of plasmatocytes accompanied by cytoplasm expulsion, and cell disintegration. Spherulocytes remained intact, while oenocytes rapidly disintegrated. Coronatin-2 produced 80% mortality when injected into G. mellonella at 5 µg larva-1. Further study is warranted to determine the relevance of the acute toxicity of coronatin-2 and its effects on hemocytes in vitro to virulence of C. coronatus against its hosts.
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Crystallization of SHARPIN using an automated two-dimensional grid screen for optimization.
Stieglitz, Benjamin; Rittinger, Katrin; Haire, Lesley F
2012-07-01
An N-terminal fragment of human SHARPIN was recombinantly expressed in Escherichia coli, purified and crystallized. Crystals suitable for X-ray diffraction were obtained by a one-step optimization of seed dilution and protein concentration using a two-dimensional grid screen. The crystals belonged to the primitive tetragonal space group P4(3)2(1)2, with unit-cell parameters a = b = 61.55, c = 222.81 Å. Complete data sets were collected from native and selenomethionine-substituted protein crystals at 100 K to 2.6 and 2.0 Å resolution, respectively.
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Light emission from organic single crystals operated by electrolyte doping
Matsuki, Keiichiro; Sakanoue, Tomo; Yomogida, Yohei; Hotta, Shu; Takenobu, Taishi
2018-03-01
Light-emitting devices based on electrolytes, such as light-emitting electrochemical cells (LECs) and electric double-layer transistors (EDLTs), are solution-processable devices with a very simple structure. Therefore, it is necessary to apply this device structure into highly fluorescent organic materials for future printed applications. However, owing to compatibility problems between electrolytes and organic crystals, electrolyte-based single-crystal light-emitting devices have not yet been demonstrated. Here, we report on light-emitting devices based on organic single crystals and electrolytes. As the fluorescent materials, α,ω-bis(biphenylyl)terthiophene (BP3T) and 5,6,11,12-tetraphenylnaphthacene (rubrene) single crystals were selected. Using ionic liquids as electrolytes, we observed clear light emission from BP3T LECs and rubrene EDLTs.
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Oriented hydroxyapatite single crystals produced by the electrodeposition method
Energy Technology Data Exchange (ETDEWEB)
Santos, E.A. dos, E-mail: euler@ufs.br [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Moldovan, M.S. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Jacomine, L. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France); Mateescu, M. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Werckmann, J. [IPCMS - Departement de Surfaces et Interfaces, 23, rue du Loess, BP 43, 67034 Strasbourg (France); Anselme, K. [IS2M - Equipe Interaction Surface-Matiere Vivant, 15, rue Jean Starcky, BP 2488, 68057 Mulhouse (France); Mille, P.; Pelletier, H. [INSA - Groupe Ingenierie des Surfaces, 24, Bld de la Victoire, 67084 Strasbourg (France)
2010-05-25
We propose here the use of cathodic electrodeposition as tool to fabricate implant coatings consisting in nano/micro single crystals of hydroxyapatite (HA), preferentially orientated along the c-axis. Coating characterization is the base of this work, where we discuss the mechanisms related to the deposition of oriented hydroxyapatite thin films. It is shown that when deposited on titanium alloys, the HA coating is constituted by two distinct regions with different morphologies: at a distance of few microns from the substrate, large HA single crystals are oriented along the c-axis and appear to grow up from a base material, consisting in an amorphous HA. This organized system has a great importance for cell investigation once the variables involved in the cell/surface interaction are reduced. The use of such systems could give a new insight on the effect of particular HA orientation on the osteoblast cells.
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Energy Technology Data Exchange (ETDEWEB)
Chen, Yang; Zou, Huawei, E-mail: hwzou@163.com; Liang, Mei, E-mail: liangmeiww@163.com; Cao, Ya
2014-06-01
Highlights: • HDPE/EVA blends undergo phase separation, making it an interesting topic to investigate the relationships between miscibility and crystallization. • Influences from blending on the crystallization kinetics were successfully evaluated by Friedman's and Khanna's method. • X-ray diffraction studies revealed that blending with EVA the unit length of the unit cell of the HDPE increases. • Thermal fractionation method was successfully used to characterize the co-crystallization in HDPE/EVA blends. - Abstract: Crystallization studies on HDPE/EVA blends and the individual components were performed with differential scanning calorimetry (DSC) technique and wide angle X-ray scattering (WAXS). Influences of blending on the crystallization kinetics of each component in HDPE/EVA mixture were evaluated by Friedman's activation energy and Khanna's crystallization rate coefficient (CRC). The addition of more HDPE into the EVA matrix causes more heterogeneous nucleation while the addition of EVA would hinder the nucleation of HDPE at the beginning of cooling process. Inter-molecular interaction in the melt facilitated the crystallization of both EVA and HDPE components. X-ray diffraction studies revealed that HDPE and EVA have orthorhombic unit cell. Blending with EVA did not affect the crystalline structure of HDPE. In addition, a little shift of (1 1 0), (2 0 0) and (0 2 0) crystalline peaks toward lower 2θ values of samples indicating a little increase of unit cell parameters of the orthorhombic unit cell of polyethylene. Thermal fractionation results showed that co-crystallization took place in the HDPE/EVA blend. All those results indicated that the polymer pair we choose was partially miscible.
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DEFF Research Database (Denmark)
Buschard, Karsten; Bracey, Austin W.; McElroy, Daniel L.
2016-01-01
Background. Sulfatide is known to chaperone insulin crystallization within the pancreatic beta cell, but it is not known if this results from sulfatide being integrated inside the crystal structure or by binding the surface of the crystal. With this study, we aimed to characterize the molecular m...
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Joseph, Raji E; Ginder, Nathaniel D; Hoy, Julie A; Nix, Jay C; Honzatko, Richard B; Andreotti, Amy H
2011-02-01
Proline is a unique amino acid owing to the relatively small energy difference between the cis and trans conformations of its peptide bond. The X-Pro imide bond readily undergoes cis-trans isomerization in the context of short peptides as well as some proteins. However, the direct detection of cis-trans proline isomerization in folded proteins is technically challenging. NMR spectroscopy is well suited to the direct detection of proline isomerization in folded proteins. It is less clear how well X-ray crystallography can reveal this conformational exchange event in folded proteins. Conformational heterogeneity owing to cis-trans proline isomerization in the Src homology 2 (SH2) domain of the IL-2-inducible T-cell kinase (ITK) has been extensively characterized by NMR. Using the ITK SH2 domain as a test system, an attempt was made to determine whether proline isomerization could be detected in a crystal structure of the ITK SH2 domain. As a first step towards this goal, the purification, crystallization and preliminary characterization of the ITK SH2 domain are described.
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Zeng, Lunwu; Xu, Jin; Wang, Chengen; Zhang, Jianhua; Zhao, Yuting; Zeng, Jing; Song, Runxia
2017-12-07
When space (time) translation symmetry is spontaneously broken, the space crystal (time crystal) forms; when permittivity and permeability periodically vary with space (time), the photonic crystal (photonic time crystal) forms. We proposed the concept of photonic time crystal and rewritten the Maxwell's equations. Utilizing Finite Difference Time Domain (FDTD) method, we simulated electromagnetic wave propagation in photonic time crystal and photonic space-time crystal, the simulation results show that more intensive scatter fields can obtained in photonic time crystal and photonic space-time crystal.
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Energy Technology Data Exchange (ETDEWEB)
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.
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Dispersion characteristics of two-dimensional unmagnetized dielectric plasma photonic crystal
International Nuclear Information System (INIS)
Li-Mei, Qi; Zi-Qiang, Yang; Feng, Lan; Xi, Gao; Da-Zhi, Li
2010-01-01
This paper studies dispersion characteristics of the transverse magnetic (TM) mode for two-dimensional unmagnetized dielectric plasma photonic crystal by a modified plane wave method. First, the cutoff behaviour is made clear by using the Maxwell–Garnett effective medium theory, and the influences of dielectric filling factor and dielectric constant on effective plasma frequency are analysed. Moreover, the occurence of large gaps in dielectric plasma photonic crystal is demonstrated by comparing the skin depth with the lattice constant, and the influence of plasma frequency on the first three gaps is also studied. Finally, by using the particle-in-cell simulation method, a transmission curve in the Γ – X direction is obtained in dielectric plasma photonic crystal, which is in accordance with the dispersion curves calculated by the modified plane wave method, and the large gap between the transmission points of 27 GHz and 47 GHz is explained by comparing the electric field patterns in particle-in-cell simulation
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Crystallization and preliminary X-ray analysis of Streptococcus mutans dextran glucosidase
Energy Technology Data Exchange (ETDEWEB)
Saburi, Wataru; Hondoh, Hironori, E-mail: hondoh@abs.agr.hokudai.ac.jp [Research Faculty of Agriculture, Hokkaido University, Sapporo, Hokkaido 060-8589 (Japan); Unno, Hideaki [Faculty of Engineering, Nagasaki University, Bunkyo-machi, Nagasaki 852-8521 (Japan); Okuyama, Masayuki; Mori, Haruhide [Research Faculty of Agriculture, Hokkaido University, Sapporo, Hokkaido 060-8589 (Japan); Nakada, Toshitaka [Faculty of Science and Engineering, Ritsumeikan University, Kusatsu, Shiga 525-8577 (Japan); Matsuura, Yoshiki [Institute for Protein Research, Osaka University, Suita, Osaka 565-0871 (Japan); Kimura, Atsuo [Research Faculty of Agriculture, Hokkaido University, Sapporo, Hokkaido 060-8589 (Japan)
2007-09-01
Dextran glucosidase from S. mutans was crystallized using the hanging-drop vapour-diffusion method. The crystals diffracted to 2.2 Å resolution. Dextran glucosidase from Streptococcus mutans is an exo-hydrolase that acts on the nonreducing terminal α-1,6-glucosidic linkage of oligosaccharides and dextran with a high degree of transglucosylation. Based on amino-acid sequence similarity, this enzyme is classified into glycoside hydrolase family 13. Recombinant dextran glucosidase was purified and crystallized by the hanging-drop vapour-diffusion technique using polyethylene glycol 6000 as a precipitant. The crystals belong to the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 72.72, b = 86.47, c = 104.30 Å. A native data set was collected to 2.2 Å resolution from a single crystal.
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Crystallization and preliminary X-ray analysis of Streptococcus mutans dextran glucosidase
International Nuclear Information System (INIS)
Saburi, Wataru; Hondoh, Hironori; Unno, Hideaki; Okuyama, Masayuki; Mori, Haruhide; Nakada, Toshitaka; Matsuura, Yoshiki; Kimura, Atsuo
2007-01-01
Dextran glucosidase from S. mutans was crystallized using the hanging-drop vapour-diffusion method. The crystals diffracted to 2.2 Å resolution. Dextran glucosidase from Streptococcus mutans is an exo-hydrolase that acts on the nonreducing terminal α-1,6-glucosidic linkage of oligosaccharides and dextran with a high degree of transglucosylation. Based on amino-acid sequence similarity, this enzyme is classified into glycoside hydrolase family 13. Recombinant dextran glucosidase was purified and crystallized by the hanging-drop vapour-diffusion technique using polyethylene glycol 6000 as a precipitant. The crystals belong to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 72.72, b = 86.47, c = 104.30 Å. A native data set was collected to 2.2 Å resolution from a single crystal
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Nano crystals-Related Synthesis, Assembly, and Energy Applications
International Nuclear Information System (INIS)
Dai, Q.; Hu, M.Z.; Yu, B.Z.; William, W.; Seo, J.
2011-01-01
Fundamental material properties have been dramatically altered in the nano scale regime because of quantum confinement effect. The unique size-tunable functionalities of nano materials make them involved in an extensive variety of energy applications, such as light-emitting diodes and solar cells. These applications have been demonstrated to cut energy consumption. In response to the ever-growing energy demands as well as the concerns of global warming, researchers are actively placing their enormous emphasis on the exploration of energy savings. During this exploration, the primary stage requires the design of appropriate strategies for the synthesis of high-quality nano crystals in terms of size uniformity and superior optical/electronic properties. Especially, there is a need to seek green-chemistry approaches for the synthesis of environmentally benign and user-friendly nano crystals. Another recent area of focus is the use of individual nano crystals as building blocks for self-assembly, providing new opportunities to improve the nano crystal performance
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Energy Technology Data Exchange (ETDEWEB)
Timofeev, V. I., E-mail: tostars@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Chupova, L. A.; Esipov, R. S. [Russian Academy of Sciences, Shemyakin–Ovchinnikov Institute of Bioorganic Chemistry (Russian Federation); Kuranova, I. P. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
2015-09-15
Crystals of M. tuberculosis phosphopantetheine adenylyltransferase were grown in microgravity by the capillary counter-diffusion method through a gel layer. The X-ray diffraction data set suitable for the determination of the three-dimensional structure at atomic resolution was collected from one crystal at the Spring-8 synchrotron facility to 2.00-Å resolution. The crystals belong to sp. gr. P3{sub 2} and have the following unit-cell parameters: a = b = 106.47 Å, c = 71.32 Å, α = γ = 90°, β = 120°. The structure was solved by the molecular-replacement method. There are six subunits of the enzyme comprising a hexamer per asymmetric unit. The hexamer is a biologically active form of phosphopantetheine adenylyltransferase from M. tuberculosis.
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International Nuclear Information System (INIS)
Artola-Recolons, Cecilia; Llarrull, Leticia I.; Lastochkin, Elena; Mobashery, Shahriar; Hermoso, Juan A.
2010-01-01
Crystals of the lytic transglycosylase MltE from E. coli were grown using the microbatch method and diffracted to a resolution of 2.1 Å. MltE from Escherichia coli (193 amino acids, 21 380 Da) is a lytic transglycosylase that initiates the first step of cell-wall recycling. This enzyme is responsible for the cleavage of the cell-wall peptidoglycan at the β-1,4-glycosidic bond between the N-acetylglucosamine and N-acetylmuramic acid units. At the end this reaction generates a disaccharide that is internalized and initiates the recycling process. To obtain insights into the biological functions of MltE, crystallization trials were performed and crystals of MltE protein that were suitable for X-ray diffraction analysis were obtained. The MltE protein of E. coli was crystallized using the hanging-drop vapour-diffusion method at 291 K. Crystals grew from a mixture consisting of 28% polyethylene glycol 4000, 0.1 M Tris pH 8.4 and 0.2 M magnesium chloride. Further optimization was performed using the microbatch technique. Single crystals were obtained that belonged to the orthorhombic space group C222 1 , with unit-cell parameters a = 123.32, b = 183.93, c = 35.29 Å, and diffracted to a resolution of 2.1 Å
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Crystallization and preliminary X-ray data of the FadA adhesin from Fusobacterium nucleatum
Energy Technology Data Exchange (ETDEWEB)
Nithianantham, Stanley [Department of Biochemistry, School of Medicine, Case Western Reserve University, Cleveland, OH 44106-4935 (United States); Xu, Minghua [Department of Biological Sciences, School of Dentistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106-4905 (United States); Wu, Nan [Department of Biochemistry, School of Medicine, Case Western Reserve University, Cleveland, OH 44106-4935 (United States); Han, Yiping W., E-mail: ywh2@case.edu [Department of Biological Sciences, School of Dentistry, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106-4905 (United States); Department of Pathology, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106 (United States); Shoham, Menachem, E-mail: ywh2@case.edu [Department of Biochemistry, School of Medicine, Case Western Reserve University, Cleveland, OH 44106-4935 (United States)
2006-12-01
The FadA adhesin from F. nucleatum, which is involved in bacterial attachment and invasion of human oral epithelial cells, has been crystallized in space group P6{sub 1} or P6{sub 5}, and X-ray data have been collected to 1.9 Å resolution. Fusobacterium nucleatum is a Gram-negative anaerobe prevalent in the oral cavity that is associated with periodontal disease, preterm birth and infections in other parts of the human body. The bacteria attach to and invade epithelial and endothelial cells in the gum tissue and elsewhere via a 13.7 kDa adhesin protein FadA (Fusobacterium adhesin A). FadA exists in two forms: the intact form (pre-FadA), consisting of 129 amino acids, and the mature form (mFadA), which lacks an 18-residue signal sequence. Both forms have been expressed in Escherichia coli and purified. mFadA has been crystallized. The crystals belong to the hexagonal space group P6{sub 1} or P6{sub 5}, with unit-cell parameters a = b = 59.3, c = 125.7 Å and one molecule per asymmetric unit. The crystals exhibit an unusually high solvent content of 74%. Synchrotron X-ray data have been collected to 1.9 Å. The crystals are suitable for X-ray structure determination. The crystal structure of FadA may provide a basis for the development of therapeutic agents to combat periodontal disease and other infections associated with F. nucleatum.
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Crystallization and preliminary X-ray data of the FadA adhesin from Fusobacterium nucleatum
International Nuclear Information System (INIS)
Nithianantham, Stanley; Xu, Minghua; Wu, Nan; Han, Yiping W.; Shoham, Menachem
2006-01-01
The FadA adhesin from F. nucleatum, which is involved in bacterial attachment and invasion of human oral epithelial cells, has been crystallized in space group P6 1 or P6 5 , and X-ray data have been collected to 1.9 Å resolution. Fusobacterium nucleatum is a Gram-negative anaerobe prevalent in the oral cavity that is associated with periodontal disease, preterm birth and infections in other parts of the human body. The bacteria attach to and invade epithelial and endothelial cells in the gum tissue and elsewhere via a 13.7 kDa adhesin protein FadA (Fusobacterium adhesin A). FadA exists in two forms: the intact form (pre-FadA), consisting of 129 amino acids, and the mature form (mFadA), which lacks an 18-residue signal sequence. Both forms have been expressed in Escherichia coli and purified. mFadA has been crystallized. The crystals belong to the hexagonal space group P6 1 or P6 5 , with unit-cell parameters a = b = 59.3, c = 125.7 Å and one molecule per asymmetric unit. The crystals exhibit an unusually high solvent content of 74%. Synchrotron X-ray data have been collected to 1.9 Å. The crystals are suitable for X-ray structure determination. The crystal structure of FadA may provide a basis for the development of therapeutic agents to combat periodontal disease and other infections associated with F. nucleatum
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Energy Technology Data Exchange (ETDEWEB)
Khan, Abdul Hamid; Chu, Fuliang; Feng, Youjun; Zhang, Qinagmin [Center for Molecular Immunology, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101 (China); Qi, Jianxun [Institute of Physics, Chinese Academy of Sciences, Beijing 100080 (China); Gao, George Fu, E-mail: gaof@im.ac.cn [Center for Molecular Immunology, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101 (China)
2008-08-01
Crystallization of recombinant IgG-binding protein expressed in Escherichia coli using the hanging-drop vapour-diffusion method is described. The crystals belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 38.98, b = 43.94, c = 78.17 Å. Streptococcus suis, an important zoonotic pathogen, expresses immunoglobulin G-binding protein, which is thought to be helpful to the organism in eluding the host defence system. Recombinant IgG-binding protein expressed in Escherichia coli has been crystallized using the hanging-drop vapour-diffusion method. The crystals belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 38.98, b = 43.94, c = 78.17 Å and one molecule in the asymmetric unit. Diffraction data were collected to 2.60 Å resolution.
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Crystallization and preliminary X-ray analysis of βC–S lyases from two oral streptococci
International Nuclear Information System (INIS)
Kezuka, Yuichiro; Yoshida, Yasuo; Nonaka, Takamasa
2009-01-01
The βC-S lyases from two oral bacteria, Streptococcus anginosus and S. gordonii, were cloned, overproduced, purified and crystallized. The obtained crystals were characterized by X-ray diffraction. Hydrogen sulfide, which causes oral malodour, is generally produced from l-cysteine by the action of βC–S lyase from oral bacteria. The βC–S lyases from two oral bacteria, Streptococcus anginosus and S. gordonii, have been cloned, overproduced, purified and crystallized. X-ray diffraction data were collected from the two types of crystals using synchrotron radiation. The crystal of S. anginosus βC–S lyase belonged to the orthorhombic space group P2 1 2 1 2 1 , with unit-cell parameters a = 67.0, b = 111.1, c = 216.4 Å, and the crystal of S. gordonii βC–S lyase belonged to the same space group, with unit-cell parameters a = 58.0, b = 73.9. c = 187.6 Å. The structures of the βC–S lyases were solved by molecular-replacement techniques
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International Nuclear Information System (INIS)
Reshetnyak, V. Yu.; Pinkevych, I. P.; Sluckin, T. J.; Cook, G.; Evans, D. R.
2014-01-01
We develop a theoretical model to describe two-beam energy exchange in a hybrid photorefractive inorganic-cholesteric cell. A cholesteric layer is placed between two inorganic substrates. One of the substrates is photorefractive (Ce:SBN). Weak and strong light beams are incident on the hybrid cell. The interfering light beams induce a periodic space-charge field in the photorefractive window. This penetrates into the cholesteric liquid crystal (LC), inducing a diffraction grating written on the LC director. In the theory, the flexoelectric mechanism for electric field-director coupling is more important than the LC static dielectric anisotropy coupling. The LC optics is described in the Bragg regime. Each beam induces two circular polarized waves propagating in the cholesteric cell with different velocities. The model thus includes optical rotation in the cholesteric LC. The incident light beam wavelength can fall above, below, or inside the cholesteric gap. The theory calculates the energy gain of the weak beam, as a result of its interaction with the pump beam within the diffraction grating. Theoretical results for exponential gain coefficients are compared with experimental results for hybrid cells filled with cholesteric mixture BL038/CB15 at different concentrations of chiral agent CB15. Reconciliation between theory and experiment requires the inclusion of a phenomenological multiplier in the magnitude of the director grating. This multiplier is cubic in the space-charge field, and we provide a justification of the q-dependence of the multiplier. Within this paradigm, we are able to fit theory to experimental data for cholesteric mixtures with different spectral position of cholesteric gap relative to the wavelength of incident beams, subject to the use of some fitting parameters
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2017-09-28
a pair of glass slides with plastic spacers to determine the cell gap: 100 and 300 μm for the polymer-free BPLCs and 12 μm for the polymer-stabilized...Nissan) and rubbed with cloth to induce uniform planar alignment. Measurements. Reflection and transmission spectra were taken using a spectro- meter...thermal recycles . Opt. Mater. Express 2, 1149–1155 (2012). 34. Onusseit, H. & Stegemeyer, H. Liquid single crystals of cholesteric blue phases. Z
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Crystallization and preliminary X ray analysis of nucleoside diphosphate kinase 1 from T. cruzi
International Nuclear Information System (INIS)
Gomez Barroso, J.A.; Aguilar, C.F.; Miranda, M.R.; Pereira, C.A.
2009-01-01
Introduction: Trypanosoma cruzi is the etiologic agent of Chagas disease. The Nucleoside diphosphate kinases (NDPKs) are enzymes involved in energy management and nucleoside balance in the cell. T. cruzi TcNDPK1, a canonical isoform. The objective of this work is obtaining protein's crystals, diffract and process the data for tridimensional structure resolution. Materials and Methods: TcNDPK1 was expressed in E. coli as a fusion protein with Nterminal His-tag. TcNDPK1 was overexpressed and purified by FPLC. Crystallization was assayed by sitting drop and hanging drop vapor diffusion method. Crystals was frozen and diffracted on synchrotron x-ray radiation in Campinas (Brasil). The data set collected was reduced and merged using MOSFLM and SCALA programs. Results and Discussion: His-TcNDPK was overexpressed, purified and crystallized. The crystals are diffracted and collected the data to 3.5A. The crystals belong to the trigonal space group P3, with unit cell parameters a=127.94, b=127.84, c=275.49. Structure determination is under way. These results will provide relevant information that could be the first step in rational drug design for treating Chagas disease.(authors)
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Schröter, K.-H.; Arkema, A.; Kester, H.C.M.; Visser, J.; Dijkstra, B.W.
1994-01-01
The endo-polygalacturonase II from Aspergillus niger has been crystallized from an ammonium sulfate solution by the hanging drop method. The crystals belong to the monoclinic space group P2(1), with cell dimensions a = 60.6 Angstrom, b = 152.6 Angstrom, c = 74.0 Angstrom and beta = 91.2 degrees with
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CCDC 1048727: Experimental Crystal Structure Determination : bis(2-(hydroxyimino)propanoato)-tin(ii)
Khanderi, Jayaprakash; Davaasuren, Bambar; Alshankiti, Buthainah; Rothenberger, Alexander
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Haque, M.A.
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1429311: Experimental Crystal Structure Determination : N-(5-Bromoquinolin-8-yl)benzamide
Xu, Jun; Shen, Chao; Zhu, Xiaolei; Zhang, Pengfei; Ajitha, Manjaly John; Huang, Kuo-Wei; An, Zhongfu; Liu, Xiaogang
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Huang, Yangjie
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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International Nuclear Information System (INIS)
Bushell, Simon R.; Lou, Hubing; Wallat, Gregor D.; Beis, Konstantinos; Whitfield, Chris; Naismith, James H.
2010-01-01
Wzi is a membrane protein from E. coli thought to be involved in the attachment of capsular polysaccharides to the bacterial surface. This reports describes recombinant Wzi’s purification, crystallization and the results of initial diffraction studies. External polysaccharide capsules provide a physical barrier that is employed by many species of bacteria for the purposes of host evasion and persistence. Wzi is a 53 kDa outer membrane β-barrel protein that is thought to play a role in the attachment of group 1 capsular polysaccharides to the cell surface. The purification and crystallization of an Escherichia coli homologue of Wzi is reported and diffraction data from native and selenomethionine-incorporated protein crystals are presented. Crystals of C-terminally His 6 -tagged Wzi diffracted to 2.8 Å resolution. Data processing showed that the crystals belonged to the orthorhombic space group C222, with unit-cell parameters a = 128.8, b = 152.8, c = 94.4 Å, α = β = γ = 90°. A His-tagged selenomethionine-containing variant of Wzi has also been crystallized in the same space group and diffraction data have been recorded to 3.8 Å resolution. Data processing shows that the variant crystal has similar unit-cell parameters to the native crystal
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Crystallization and preliminary X-ray analysis of isomaltase from Saccharomyces cerevisiae
International Nuclear Information System (INIS)
Yamamoto, Keizo; Miyake, Hideo; Kusunoki, Masami; Osaki, Shigeyoshi
2008-01-01
The crystallization and preliminary X-ray analysis of isomaltase is reported. Isomaltase from Saccharomyces cerevisiae is an oligo-1,6-glucosidase that preferentially hydrolyzes isomaltose, with little activity towards isomaltotriose or longer oligosaccharides. An amino-acid sequence analysis of the isomaltase revealed that it belongs to glucoside hydrolase family 13. Recombinant isomaltase was purified and crystallized by the hanging-drop vapour-diffusion method with PEG 3350 as the precipitant. The crystals belonged to space group C2, with unit-cell parameters a = 95.67, b = 115.42, c = 61.77 Å, β = 91.17°. X-ray diffraction data were collected to 1.35 Å resolution from a single crystal on a synchrotron-radiation source
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International Nuclear Information System (INIS)
De Jonge, Natalie; Buts, Lieven; Vangelooven, Joris; Mine, Natacha; Van Melderen, Laurence; Wyns, Lode; Loris, Remy
2007-01-01
A CcdB homologue from V. fischeri was overexpressed in E. coli and purified. The free protein was crystallized, as were its complexes with fragments of E. coli and V. fischeri gyrase and with the F-plasmid CcdA C-terminal domain. The ccd toxin–antitoxin module from the Escherichia coli F plasmid has a homologue on the Vibrio fischeri integron. The homologue of the toxin (CcdB Vfi ) was crystallized in two different crystal forms. The first form belongs to space group I23 or I2 1 3, with unit-cell parameter a = 84.5 Å, and diffracts to 1.5 Å resolution. The second crystal form belongs to space group C2, with unit-cell parameters a = 58.5, b = 43.6, c = 37.5 Å, β = 110.0°, and diffracts to 1.7 Å resolution. The complex of CcdB Vfi with the GyrA14 Vfi fragment of V. fischeri gyrase crystallizes in space group P2 1 2 1 2 1 , with unit-cell parameters a = 53.5, b = 94.6, c = 58.1 Å, and diffracts to 2.2 Å resolution. The corresponding mixed complex with E. coli GyrA14 Ec crystallizes in space group C2, with unit-cell parameters a = 130.1, b = 90.8, c = 58.1 Å, β = 102.6°, and diffracts to 1.95 Å. Finally, a complex between CcdB Vfi and part of the F-plasmid antitoxin CcdA F crystallizes in space group P2 1 2 1 2 1 , with unit-cell parameters a = 46.9, b = 62.6, c = 82.0 Å, and diffracts to 1.9 Å resolution
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Amine free crystal structure: The crystal structure of d(CGCGCG)2 and methylamine complex crystal
International Nuclear Information System (INIS)
Ohishi, Hirofumi; Tsukamoto, Koji; Hiyama, Yoichi; Maezaki, Naoyoshi; Tanaka, Tetsuaki; Ishida, Toshimasa
2006-01-01
We succeeded in the crystallization of d(CGCGCG) 2 and methylamine Complex. The crystal was clear and of sufficient size to collect the X-ray crystallographic data up to 1.0 A resolution using synchrotron radiation. As a result of X-ray crystallographic analysis of 2F o - F c map was much clear and easily traced. It is First time monoamine co-crystallizes with d(CGCGCG) 2 . However, methylamine was not found from the complex crystal of d(CGCGCG) 2 and methylamine. Five Mg ions were found around d(CGCGCG) 2 molecules. These Mg ions neutralized the anion of 10 values of the phosphate group of DNA with five Mg 2+ . DNA stabilized only by a metallic ion and there is no example of analyzing the X-ray crystal structure like this. Mg ion stabilizes the conformation of Z-DNA. To use monoamine for crystallization of DNA, we found that we can get only d(CGCGCG) 2 and Mg cation crystal. Only Mg cation can stabilize the conformation of Z-DNA. The method of using the monoamine for the crystallization of DNA can be applied to the crystallization of DNA of long chain of length in the future like this
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Scheel, Hans J.; Fukuda, Tsuguo
2004-06-01
This volume deals with the technologies of crystal fabrication, of crystal machining, and of epilayer production and is the first book on industrial and scientific aspects of crystal and layer production. The major industrial crystals are treated: Si, GaAs, GaP, InP, CdTe, sapphire, oxide and halide scintillator crystals, crystals for optical, piezoelectric and microwave applications and more. Contains 29 contributions from leading crystal technologists covering the following topics: General aspects of crystal growth technology Silicon Compound semiconductors Oxides and halides Crystal machining Epitaxy and layer deposition Scientific and technological problems of production and machining of industrial crystals are discussed by top experts, most of them from the major growth industries and crystal growth centers. In addition, it will be useful for the users of crystals, for teachers and graduate students in materials sciences, in electronic and other functional materials, chemical and metallurgical engineering, micro-and optoelectronics including nanotechnology, mechanical engineering and precision-machining, microtechnology, and in solid-state sciences.
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Directory of Open Access Journals (Sweden)
Suharso Suharso
2010-06-01
Full Text Available The surface topology of borax crystals grown at a relative supersaturation of 0.21 has been investigated using ex situ atomic force microscopy (AFM. It was found that the cleavage of borax crystals along the (010 face planes has features of the cleavage of layered compounds, exhibiting cleavage steps of low heights. The step heights of the cleavage of the (010 face of borax crystal are from one unit cell to three unit cells of this face. Keywords: AFM, cleavage, borax.
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Energy Technology Data Exchange (ETDEWEB)
Gao, Jinlan; Li, Xiaolu [State Key Laboratory of Medical Molecular Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences, Peking Union Medical College, Tsinghua University, Beijing 100005, People' s Republic of China (China); Tsinghua-Peking Joint Center for Life Sciences, Center for Structural Biology, School of Life Sciences, Tsinghua University, Beijing 100084, People' s Republic of China (China); Feng, Yue; Zhang, Bo [Tsinghua-Peking Joint Center for Life Sciences, Center for Structural Biology, School of Life Sciences, Tsinghua University, Beijing 100084, People' s Republic of China (China); Miao, Shiying [State Key Laboratory of Medical Molecular Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences, Peking Union Medical College, Tsinghua University, Beijing 100005, People' s Republic of China (China); Wang, Linfang, E-mail: lfwangz@yahoo.com [State Key Laboratory of Medical Molecular Biology, Institute of Basic Medical Sciences, Chinese Academy of Medical Sciences, Peking Union Medical College, Tsinghua University, Beijing 100005, People' s Republic of China (China); Wang, Na, E-mail: nawang@tsinghua.edu.cn [Tsinghua-Peking Joint Center for Life Sciences, Center for Structural Biology, School of Life Sciences, Tsinghua University, Beijing 100084, People' s Republic of China (China)
2012-06-22
Highlights: Black-Right-Pointing-Pointer We truncated the signal peptide of OppA{sub TTE0054} to make it express in Escherichia coli as a soluble protein. Black-Right-Pointing-Pointer Crystals of OppA{sub TTE0054} were grown by sitting-drop vapor diffusion method. Black-Right-Pointing-Pointer The crystal of OppA{sub TTE0054} diffracted to 2.25 A. -- Abstract: Di- and oligopeptide- binding protein OppAs play important roles in solute and nutrient uptake, sporulation, biofilm formation, cell wall muropeptides recycling, peptide-dependent quorum-sensing responses, adherence to host cells, and a variety of other biological processes. Soluble OppA from Thermoanaerobacter tengcongensis was expressed in Escherichia coli. The protein was found to be >95% pure with SDS-PAGE after a series of purification steps and the purity was further verified by mass spectrometry. The protein was crystallized using the sitting-drop vapour-diffusion method with PEG 400 as the precipitant. Crystal diffraction extended to 2.25 A. The crystal belonged to space group C222{sub 1}, with unit-cell parameters of a = 69.395, b = 199.572, c = 131.673 A, and {alpha} = {beta} = {gamma} = 90 Degree-Sign .
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Crystallization, data collection and phasing of two digestive lysozymes from Musca domestica
Energy Technology Data Exchange (ETDEWEB)
Marana, S. R.; Cançado, F. C. [Departamento de Bioquímica, Instituto de Química, Universidade de São Paulo, São Paulo (Brazil); Valério, A. A. [Centro de Biologia Molecular e Estrutural (CeBiMe), Laboratório Nacional de Luz Síncrotron (LNLS), CP 6192, Campinas, SP 13084-971 (Brazil); Departamento de Bioquímica, Universidade Estadual de Campinas, Campinas (Brazil); Ferreira, C.; Terra, W. R. [Departamento de Bioquímica, Instituto de Química, Universidade de São Paulo, São Paulo (Brazil); Barbosa, J. A. R. G., E-mail: joao@lnls.br [Centro de Biologia Molecular e Estrutural (CeBiMe), Laboratório Nacional de Luz Síncrotron (LNLS), CP 6192, Campinas, SP 13084-971 (Brazil); Departamento de Bioquímica, Universidade Estadual de Campinas, Campinas (Brazil); Departamento de Genética e Evolução, Universidade Estadual de Campinas, Campinas (Brazil); Departamento de Bioquímica, Instituto de Química, Universidade de São Paulo, São Paulo (Brazil)
2006-08-01
The digestive lysozymes 1 and 2 from M. domestica were crystallized by vapour diffusion. The crystallographic data were processed to a maximum resolution of 1.9 Å in both cases. Lysozymes are mostly known for their defensive role against bacteria, but in several animals lysozymes have a digestive function. Here, the initial crystallographic characterization of two digestive lysozymes from Musca domestica are presented. The proteins were crystallized using the sitting-drop vapour-diffusion method in the presence of ammonium sulfate or PEG/2-propanol as the precipitant. X-ray diffraction data were collected to a maximum resolution of 1.9 Å using synchrotron radiation. The lysozyme 1 and 2 crystals belong to the monoclinic space group P2{sub 1} (unit-cell parameters a = 36.52, b = 79.44, c = 45.20 Å, β = 102.97°) and the orthorhombic space group P2{sub 1}2{sub 1}2 (unit-cell parameters a = 73.90, b = 96.40, c = 33.27 Å), respectively. The crystal structures were solved by molecular replacement and structure refinement is in progress.
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Chemistry of Discotic Liquid Crystals From Monomers to Polymers
Kumar, Sandeep
2010-01-01
Compiling the scattered literature into a single seminal work, this book describes the basic design principles, synthesis, and mesomorphic properties of discotic liquid crystals. Of fundamental importance as models for the study of energy and charge migration in self-organized systems, discotic liquid crystals find functional application as one-dimensional conductors, photoconductors, light emitting diodes, photovoltaic solar cells, field-effect transistors, and gas sensors. This book highlights the scientific concepts behind the hierarchical self-assembly of these disc-shaped molecules alongs
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Modeling and simulation of Si crystal growth from melt
Energy Technology Data Exchange (ETDEWEB)
Liu, Lijun; Liu, Xin; Li, Zaoyang [National Engineering Research Center for Fluid Machinery and Compressors, School of Energy and Power Engineering, Xi' an Jiaotong University, Xi' an, Shaanxi 710049 (China); Miyazawa, Hiroaki; Nakano, Satoshi; Kakimoto, Koichi [Research Institute for Applied Mechanics, Kyushu University, Kasuga 816-8580 (Japan)
2009-07-01
A numerical simulator was developed with a global model of heat transfer for any crystal growth taking place at high temperature. Convective, conductive and radiative heat transfers in the furnace are solved together in a conjugated way by a finite volume method. A three-dimensional (3D) global model was especially developed for simulation of heat transfer in any crystal growth with 3D features. The model enables 3D global simulation be conducted with moderate requirement of computer resources. The application of this numerical simulator to a CZ growth and a directional solidification process for Si crystals, the two major production methods for crystalline Si for solar cells, was introduced. Some typical results were presented, showing the importance and effectiveness of numerical simulation in analyzing and improving these kinds of Si crystal growth processes from melt. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
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Directory of Open Access Journals (Sweden)
Ignacio Alfonso
2011-08-01
Full Text Available Large crystals of the methyl ester of the N-a-benzyloxycarbonyl protected Ala-Phe dipeptide (Z-AF-OMe were obtained after the very slow evaporation of a solution of the corresponding carboxylic acid (Z-AF-OH in methanol containing an excess of HCl. The structure was confirmed by single crystal X-ray diffraction data. It crystallizes in the orthorhombic space group P212121 with unit cell dimensions a = 5.0655(6 Å, b = 8.4614(8 Å, c = 46.856(5 Å, V = 2008.3(4 Å3, Z = 4. In the crystal, the molecules form hydrogen bonded chains running along the a axis of the unit cell. Other secondary interactions are also discussed.
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Luoma, Adrienne M; Castro, Caitlin D; Mayassi, Toufic; Bembinster, Leslie A; Bai, Li; Picard, Damien; Anderson, Brian; Scharf, Louise; Kung, Jennifer E; Sibener, Leah V; Savage, Paul B; Jabri, Bana; Bendelac, Albert; Adams, Erin J
2013-12-12
The nature of the antigens recognized by γδ T cells and their potential recognition of major histocompatibility complex (MHC)-like molecules has remained unclear. Members of the CD1 family of lipid-presenting molecules are suggested ligands for Vδ1 TCR-expressing γδ T cells, the major γδ lymphocyte population in epithelial tissues. We crystallized a Vδ1 TCR in complex with CD1d and the self-lipid sulfatide, revealing the unusual recognition of CD1d by germline Vδ1 residues spanning all complementarity-determining region (CDR) loops, as well as sulfatide recognition separately encoded by nongermline CDR3δ residues. Binding and functional analysis showed that CD1d presenting self-lipids, including sulfatide, was widely recognized by gut Vδ1+ γδ T cells. These findings provide structural demonstration of MHC-like recognition of a self-lipid by γδ T cells and reveal the prevalence of lipid recognition by innate-like T cell populations. Copyright © 2013 Elsevier Inc. All rights reserved.
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Principles of crystallization, and methods of single crystal growth
International Nuclear Information System (INIS)
Chacra, T.
2010-01-01
Most of single crystals (monocrystals), have distinguished optical, electrical, or magnetic properties, which make from single crystals, key elements in most of technical modern devices, as they may be used as lenses, Prisms, or grating sin optical devises, or Filters in X-Ray and spectrographic devices, or conductors and semiconductors in electronic, and computer industries. Furthermore, Single crystals are used in transducer devices. Moreover, they are indispensable elements in Laser and Maser emission technology.Crystal Growth Technology (CGT), has started, and developed in the international Universities and scientific institutions, aiming at some of single crystals, which may have significant properties and industrial applications, that can attract the attention of international crystal growth centers, to adopt the industrial production and marketing of such crystals. Unfortunately, Arab universities generally, and Syrian universities specifically, do not give even the minimum interest, to this field of Science.The purpose of this work is to attract the attention of Crystallographers, Physicists and Chemists in the Arab universities and research centers to the importance of crystal growth, and to work on, in the first stage to establish simple, uncomplicated laboratories for the growth of single crystal. Such laboratories can be supplied with equipment, which are partly available or can be manufactured in the local market. Many references (Articles, Papers, Diagrams, etc..) has been studied, to conclude the most important theoretical principles of Phase transitions,especially of crystallization. The conclusions of this study, are summarized in three Principles; Thermodynamic-, Morphologic-, and Kinetic-Principles. The study is completed by a brief description of the main single crystal growth methods with sketches, of equipment used in each method, which can be considered as primary designs for the equipment, of a new crystal growth laboratory. (author)
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International Nuclear Information System (INIS)
Meining, Winfried; Scheuring, Johannes; Fischer, Markus; Weinkauf, Sevil
2006-01-01
SecA ATPase from E. faecalis has been cloned, overexpressed, purified and crystallized. Crystals belong to space group C2 and diffract to 2.4 Å resolution. The gene coding for SecA from Enterococcus faecalis was cloned and overexpressed in Escherichia coli. In this protein, the lysine at position 6 was replaced by an asparagine in order to reduce sensitivity towards proteases. The modified protein was purified and crystallized. Crystals diffracting to 2.4 Å resolution were obtained using the vapour-diffusion technique. The crystals belong to the monoclinic space group C2, with unit-cell parameters a = 203.4, b = 49.8, c = 100.8 Å, α = γ = 90.0, β = 119.1°. A selenomethionine derivative was prepared and is currently being tested in crystallization trials
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Decolorization of Malachite Green and Crystal Violet by Waterborne Pathogenic Mycobacteria
Jones, Jefferson J.; Falkinham III, Joseph O.
2003-01-01
Mycobacterium avium, Mycobacterium intracellulare, Mycobacterium scrofulaceum, Mycobacterium marinum, and Mycobacterium chelonae tolerate high concentrations of the dyes malachite green and crystal violet. Cells of strains of those species decolorized (reduced) both malachite green and crystal violet. Because decolorized malachite green lacked antimicrobial activity, the resistance of these mycobacteria could be due, in part, to their ability to decolorize the dyes. Small amounts of malachite...
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Simulation of liquid crystals. Disclinations and surface modification
International Nuclear Information System (INIS)
Downton, M.
2001-01-01
In this thesis we investigate the behaviour of molecular models liquid crystals in several different situations. Basic introductory material on liquid crystals and computer simulations is discussed in the first two chapters, we then discuss the research. The third chapter investigates the interaction between a liquid crystal and a modified surface. A confined system of hard spherocylinders in a slab geometry is examined. The surface consists of planar hard walls with elongated molecules grafted perpendicularly onto them. The concentration of grafted molecules is varied to give different surfaces. Several different behaviours are found including planar, homeotropic and tilted anchorings of the liquid crystal. Molecular dynamics simulations of a nematic liquid crystal in slab geometry with twisted boundary conditions are performed. By arranging the initial configuration suitably it is possible to create a simulation cell with two regions of opposite twist separated by a strength half disclination line. The properties of the line are examined both with and without an applied external field. Finally, we again examine the system of grafted molecules on a flat substrate using an atomistic model of both the liquid crystal and the surface molecules. Again the effect of varying the density of grafted molecules is found to change the anchoring characteristics of the surface; both homeotropic and planar anchorings are observed. (author)
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Crystal structure and pair potentials: A molecular-dynamics study
Energy Technology Data Exchange (ETDEWEB)
Parrinello, M.; Rahman, A.
1980-10-06
With use of a Lagrangian which allows for the variation of the shape and size of the periodically repeating molecular-dynamics cell, it is shown that different pair potentials lead to different crystal structures.
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7-cell core hollow-core photonic crystal fibers with low loss in the spectral region around 2 mu m
DEFF Research Database (Denmark)
Lyngsøe, Jens Kristian; Mangan, B.J.; Jakobsen, C.
2009-01-01
Several 7 cell core hollow-core photonic crystal fibers with bandgaps in the spectral range of 1.4 μm to 2.3 μm have been fabricated. The transmission loss follows the ≈ λ−3 dependency previously reported, with a minimum measured loss of 9.5 dB/km at 1.99 μm. One fiber with a transmission loss...... of 26 dB/km at 2.3 μm is reported, which is significantly lower than the transmission loss of solid silica fibers at this wavelength....
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Purification, crystallization and preliminary X-ray diffraction of human S100A15
Energy Technology Data Exchange (ETDEWEB)
Boeshans, Karen M. [X-ray Crystallography Facility, NIAMS, National Institutes of Health, Bethesda, MD 20892 (United States); Wolf, Ronald; Voscopoulos, Christopher [Center for Cancer Research, National Cancer Institute, National Institutes of Health, Bethesda, MD 20892 (United States); Gillette, William; Esposito, Dominic [Protein Expression Laboratory, Research Technology Program, National Cancer Institute, SAIC-Frederick Inc., Frederick, MD 21702 (United States); Mueser, Timothy C. [Department of Chemistry, University of Toledo, Toledo, OH 43606 (United States); Yuspa, Stuart H. [Center for Cancer Research, National Cancer Institute, National Institutes of Health, Bethesda, MD 20892 (United States); Ahvazi, Bijan, E-mail: ahvazib@mail.nih.gov [X-ray Crystallography Facility, NIAMS, National Institutes of Health, Bethesda, MD 20892 (United States)
2006-05-01
S100 proteins are differentially expressed during epithelial cell maturation, tumorigenesis and inflammation. The novel human S100A15 protein has been cloned, expressed, purified and crystallized in two crystal forms, a triclinic and a monoclinic form, which diffract to 1.7 and 2.0 Å, respectively. Human S100A15 is a novel member of the S100 family of EF-hand calcium-binding proteins and was recently identified in psoriasis, where it is significantly upregulated in lesional skin. The protein is implicated as an effector in calcium-mediated signal transduction pathways. Although its biological function is unclear, the association of the 11.2 kDa S100A15 with psoriasis suggests that it contributes to the pathogenesis of the disease and could provide a molecular target for therapy. To provide insight into the function of S100A15, the protein was crystallized to visualize its structure and to further the understanding of how the many similar calcium-binding mediator proteins in the cell distinguish their cognate target molecules. The S100A15 protein has been cloned, expressed and purified to homogeneity and produced two crystal forms. Crystals of form I are triclinic, with unit-cell parameters a = 33.5, b = 44.3, c = 44.8 Å, α = 71.2, β = 68.1, γ = 67.8° and an estimated two molecules in the asymmetric unit, and diffract to 1.7 Å resolution. Crystals of form II are monoclinic, with unit-cell parameters a = 82.1, b = 33.6, c = 52.2 Å, β = 128.2° and an estimated one molecule in the asymmetric unit, and diffract to 2.0 Å resolution. This structural analysis of the human S100A15 will further aid in the phylogenic comparison between the other members of the S100 protein family, especially the highly homologous paralog S100A7.
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Energy Technology Data Exchange (ETDEWEB)
Nanev, C.N.; Dimitrov, I.L.; Hodzhaoglu, F.V. [Rostislaw Kaischew Institute of Physical Chemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria)
2011-02-15
Insulin is the only protein that is secreted in a crystalline form in a human healthy body. To mimic the secretion process we used NaCl salting-out to growing tiny rhombohedral Zn-insulin crystals. The dissolution of the insulin crystals is of special interest for the therapeutical praxis, because the human body is supplied with the physiologically active monomers of the insulin through dissolution of the crystalline granules secreted in the pancreatic {beta}-cells. Sets of tiny rhombohedral Zn-insulin crystals, which resembled the granules secreted in the {beta}-cells, were subjected to dissolution in blood plasma and model solutions. The impacts of the solution composition, flow rate, pH and ionic strength on the insulin crystal dissolution were investigated. The effect of the blood plasma was determinant because it dissolved the rhombohedral Zn-insulin crystals almost instantly, while the effects of solution's physicochemical characteristics were of minor importance. In addition, we found that the presence of abundant zinc ions suppressed the dissolution of the insulin crystals. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
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Jaiswal, Rahul; Singh, Samarendra K; Bastia, Deepak; Escalante, Carlos R
2015-04-01
The Reb1 protein from Schizosaccharomyces pombe is a member of a family of proteins that control programmed replication termination and/or transcription termination in eukaryotic cells. These events occur at naturally occurring replication fork barriers (RFBs), where Reb1 binds to termination (Ter) DNA sites and coordinates the polar arrest of replication forks and transcription approaching in opposite directions. The Reb1 DNA-binding and replication-termination domain was expressed in Escherichia coli, purified and crystallized in complex with a 26-mer DNA Ter site. Batch crystallization under oil was required to produce crystals of good quality for data collection. Crystals grew in space group P2₁, with unit-cell parameters a = 68.9, b = 162.9, c = 71.1 Å, β = 94.7°. The crystals diffracted to a resolution of 3.0 Å. The crystals were mosaic and required two or three cycles of annealing. This study is the first to yield structural information about this important family of proteins and will provide insights into the mechanism of replication and transcription termination.
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Energy Technology Data Exchange (ETDEWEB)
De Jonge, Natalie, E-mail: ndejonge@vub.ac.be; Buts, Lieven; Vangelooven, Joris [Department of Molecular and Cellular Interactions, VIB, Pleinlaan 2, 1050 Brussels (Belgium); Laboratorium voor Ultrastructuur, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels (Belgium); Mine, Natacha; Van Melderen, Laurence [Laboratoire de Génétique des Procaryotes, Institut de Biologie et de Médecine, Université Libre de Bruxelles, Gosselies (Belgium); Wyns, Lode; Loris, Remy [Department of Molecular and Cellular Interactions, VIB, Pleinlaan 2, 1050 Brussels (Belgium); Laboratorium voor Ultrastructuur, Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussels (Belgium)
2007-04-01
A CcdB homologue from V. fischeri was overexpressed in E. coli and purified. The free protein was crystallized, as were its complexes with fragments of E. coli and V. fischeri gyrase and with the F-plasmid CcdA C-terminal domain. The ccd toxin–antitoxin module from the Escherichia coli F plasmid has a homologue on the Vibrio fischeri integron. The homologue of the toxin (CcdB{sub Vfi}) was crystallized in two different crystal forms. The first form belongs to space group I23 or I2{sub 1}3, with unit-cell parameter a = 84.5 Å, and diffracts to 1.5 Å resolution. The second crystal form belongs to space group C2, with unit-cell parameters a = 58.5, b = 43.6, c = 37.5 Å, β = 110.0°, and diffracts to 1.7 Å resolution. The complex of CcdB{sub Vfi} with the GyrA14{sub Vfi} fragment of V. fischeri gyrase crystallizes in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 53.5, b = 94.6, c = 58.1 Å, and diffracts to 2.2 Å resolution. The corresponding mixed complex with E. coli GyrA14{sub Ec} crystallizes in space group C2, with unit-cell parameters a = 130.1, b = 90.8, c = 58.1 Å, β = 102.6°, and diffracts to 1.95 Å. Finally, a complex between CcdB{sub Vfi} and part of the F-plasmid antitoxin CcdA{sub F} crystallizes in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 46.9, b = 62.6, c = 82.0 Å, and diffracts to 1.9 Å resolution.
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Photovoltaic cells employing zinc phosphide
Barnett, Allen M.; Catalano, Anthony W.; Dalal, Vikram L.; Masi, James V.; Meakin, John D.; Hall, Robert B.
1984-01-01
A photovoltaic cell having a zinc phosphide absorber. The zinc phosphide can be a single or multiple crystal slice or a thin polycrystalline film. The cell can be a Schottky barrier, heterojunction or homojunction device. Methods for synthesizing and crystallizing zinc phosphide are disclosed as well as a method for forming thin films.
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International Nuclear Information System (INIS)
Morimoto, Daichi; Isogai, Shin; Tenno, Takeshi; Tochio, Hidehito; Shirakawa, Masahiro; Ariyoshi, Mariko
2010-01-01
Lys48-linked tetraubiquitin, hexaubiquitin and octaubiquitin were enzymatically synthesized, purified and crystallized. X-ray diffraction data sets for tetraubiquitin and hexaubiquitin were collected at 1.6 and 1.8 Å resolution, respectively. Post-translational modification of proteins by covalent attachment of ubiquitin regulates diverse cellular events. A Lys48-linked polyubiquitin chain is formed via an isopeptide bond between Lys48 and the C-terminal Gly76 of different ubiquitin molecules. The chain is attached to a lysine residue of a substrate protein, which leads to proteolytic degradation of the protein by the 26S proteasome. In order to reveal the chain-length-dependent higher order structures of polyubiquitin chains, Lys48-linked polyubiquitin chains were synthesized enzymatically on a large scale and the chains were separated according to chain length by cation-exchange column chromatography. Subsequently, crystallization screening was performed using the hanging-drop vapour-diffusion method, from which crystals of tetraubiquitin, hexaubiquitin and octaubiquitin chains were obtained. The crystals of the tetraubiquitin and hexaubiquitin chains diffracted to 1.6 and 1.8 Å resolution, respectively. The tetraubiquitin crystals belonged to space group C222 1 , with unit-cell parameters a = 58.795, b = 76.966, c = 135.145 Å. The hexaubiquitin crystals belonged to space group P2 1 , with unit-cell parameters a = 51.248, b = 102.668, c = 51.161 Å. Structural analysis by molecular replacement is in progress
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International Nuclear Information System (INIS)
Xu, Ningna; Yu, Shen; Moniot, Sébastien; Weyand, Michael; Blankenfeldt, Wulf
2012-01-01
The ligand-binding domain of the transcription factor PqsR from P. aeruginosa has been crystallized and initial phases have been obtained using SAD data from seleno-l-methionine-labelled crystals. The opportunistic bacterial pathogen Pseudomonas aeruginosa employs three transcriptional regulators, LasR, RhlR and PqsR, to control the transcription of a large subset of its genes in a cell-density-dependent process known as quorum sensing. Here, the recombinant production, crystallization and structure solution of the ligand-binding domain of PqsR (MvfR), the LysR-type transcription factor that responds to the Pseudomonas quinolone signal (PQS), a quinolone-based quorum-sensing signal that is unique to P. aeruginosa and possibly a small number of other bacteria, is reported. PqsR regulates the expression of many virulence genes and may therefore be an interesting drug target. The ligand-binding domain (residues 91–319) was produced as a fusion with SUMO, and hexagonal-shaped crystals of purified PqsR-91–319 were obtained using the vapour-diffusion method. Crystallization in the presence of a PQS precursor allowed data collection to 3.25 Å resolution on a synchrotron beamline, and initial phases have been obtained using single-wavelength anomalous diffraction data from seleno-l-methionine-labelled crystals, revealing the space group to be P6 5 22, with unit-cell parameters a = b = 116–120, c = 115–117 Å
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CCDC 963856: Experimental Crystal Structure Determination : catena-[bis(mu2-2-methylimidazole)-zinc
Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; Garcí a, Felipe
2017-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; Garcí a, Felipe
2017-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1059905: Experimental Crystal Structure Determination : 7,13-dimesitylindeno[1,2-b]thioxanthene
Shi, Xueliang; Kueh, Weixiang; Zheng, Bin; Huang, Kuo-Wei; Chi, Chunyan
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Al-Masri, H.T.; Emwas, Abdul-Hamid M.; Al-Talla, Zeyad; Al Kordi, Mohamed
2012-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Roesle, Philipp; Caporaso, Lucia; Schnitte, Manuel; Goldbach, Verena; Cavallo, Luigi; Mecking, Stefan
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jö rg
2013-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Reiner, T.
2011-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Plonka, Anna M.
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Plonka, Anna M.
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Plonka, Anna M.
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Khanderi, Jayaprakash
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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International Nuclear Information System (INIS)
Jagadeesan, G.; Malathy, P.; Gunasekaran, K.; Harikrishna Etti, S.; Aravindhan, S.
2014-01-01
The great cormorant hemoglobin has been isolated, purified and crystallized and the three dimensional structure is solved using molecular replacement technique. Haemoglobin is the iron-containing oxygen-transport metalloprotein that is present in the red blood cells of all vertebrates. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of avian haemoglobins. Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on cormorant (Phalacrocorax carbo) haemoglobin. Crystals were grown by the hanging-drop vapour-diffusion method using PEG 3350, NaCl and glycerol as precipitants. The crystals belonged to the trigonal system P3 1 21, with unit-cell parameters a = b = 55.64, c = 153.38 Å, β = 120.00°; a complete data set was collected to a resolution of 3.5 Å. Matthews coefficient analysis indicated that the crystals contained a half-tetramer in the asymmetric unit
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Energy Technology Data Exchange (ETDEWEB)
Jagadeesan, G. [Presidency College, Chennai 600 005 (India); Malathy, P.; Gunasekaran, K. [University of Madras, Chennai 600 025 (India); Harikrishna Etti, S. [GKM College of Engineering and Technology, Kamaraj Salai, Chennai 600 063 (India); Aravindhan, S., E-mail: aravindhanpresidency@gmail.com [Presidency College, Chennai 600 005 (India)
2014-10-25
The great cormorant hemoglobin has been isolated, purified and crystallized and the three dimensional structure is solved using molecular replacement technique. Haemoglobin is the iron-containing oxygen-transport metalloprotein that is present in the red blood cells of all vertebrates. In recent decades, there has been substantial interest in attempting to understand the structural basis and functional diversity of avian haemoglobins. Towards this end, purification, crystallization, preliminary X-ray diffraction and molecular-replacement studies have been carried out on cormorant (Phalacrocorax carbo) haemoglobin. Crystals were grown by the hanging-drop vapour-diffusion method using PEG 3350, NaCl and glycerol as precipitants. The crystals belonged to the trigonal system P3{sub 1}21, with unit-cell parameters a = b = 55.64, c = 153.38 Å, β = 120.00°; a complete data set was collected to a resolution of 3.5 Å. Matthews coefficient analysis indicated that the crystals contained a half-tetramer in the asymmetric unit.
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Specificity in calcium oxalate adherence to papillary epithelial cells in culture
International Nuclear Information System (INIS)
Riese, R.J.; Riese, J.W.; Kleinman, J.G.; Wiessner, J.H.; Mandel, G.S.; Mandel, N.S.
1988-01-01
Attachment of microcystallites to cellular membranes may be an important component of the pathophysiology of many diseases including urolithiasis. This study attempts to characterize the interaction of calcium oxalate (CaOx) crystals and apatite (AP) crystals with renal papillary collecting tubule (RPCT) cells in primary culture. Primary cultures of RPCT cells showed the characteristic monolayer growth with sporadically interspersed clumped cells. Cultures were incubated with [ 14 C]CaOx crystals, and the crystals that bound were quantified by microscopy and adherent radioactivity. Per unit of cross-sectional area, 32 times more CaOx crystals were bound to the clumps than to the monolayer. CaOx adherence demonstrated concentration-dependent saturation with a β value (fraction of cell culture area binding CaOx crystals) of 0.179 and a 1/α ox value of 287 μg/cm 2 . On incubation with AP crystals, CaOx binding demonstrated concentration-dependent inhibition with a 1/α AP value of 93 μg/cm 2 . Microcystallite adherence to RPCT cells demonstrates selectivity for cellular clumps, saturation, and inhibition. These features suggest specific binding
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Directory of Open Access Journals (Sweden)
Maria Elisa Carneiro
1996-01-01
Full Text Available With the purpose of characterize morphologically the hemocytes of larvae and nymphs of Rhipicephalus sanguineus on different nutritional phases, it was obtained samples of haemolymph were obtained by sectioning the forelegs and collecting the drop there formed. After dried, the samples were fixed by methanol and stained by Giemsa. Microscopical observation resulted in the characterization of five basic cellular types: prohemocytes, plasmatocytes, granulocytes, spherulocytes and oenocytoids. Moreover, undefined cell types, whose morphological patterns didn't have correlation with the characteristics cited for hemocytes, were found in low frequency. The change in the relative composition of the haemolimph was characterized by decrease of the number of granulocytes and greater variabilily of the cell types present in the hemolymph as the tick evolved. This fact may be linked to the alterations that these cells suffer along the development of the tick.
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International Nuclear Information System (INIS)
Chen, Cong; Seo, Kyung Hye; Kim, Hye Lim; Zhuang, Ningning; Park, Young Shik; Lee, Kon Ho
2008-01-01
The dihydropteridine reductase from D. discoideum has been crystallized. Diffraction data were collected from a rectangular-shaped crystal to 2.16 Å resolution. Dihydropteridine reductase from Dictyostelium discoideum (dicDHPR) can produce d-threo-BH 4 [6R-(1′R,2′R)-5,6,7,8-tetrahydrobiopterin], a stereoisomer of l-erythro-BH 4 , in the last step of tetrahydrobiopterin (BH 4 ) recycling. In this reaction, DHPR uses NADH as a cofactor to reduce quinonoid dihydrobiopterin back to BH 4 . To date, the enzyme has been purified to homogeneity from many sources. In this report, the dicDHPR–NAD complex has been crystallized using the hanging-drop vapour-diffusion method with PEG 3350 as a precipitant. Rectangular-shaped crystals were obtained. Crystals grew to maximum dimensions of 0.4 × 0.6 × 0.1 mm. The crystal belonged to space group P2 1 , with unit-cell parameters a = 49.81, b = 129.90, c = 78.76 Å, β = 100.00°, and contained four molecules in the asymmetric unit, forming two closely interacting dicDHPR–NAD dimers. Diffraction data were collected to 2.16 Å resolution using synchrotron radiation. The crystal structure has been determined using the molecular-replacement method
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The Crystal Hotel: A Microfluidic Approach to Biomimetic Crystallization.
Gong, Xiuqing; Wang, Yun-Wei; Ihli, Johannes; Kim, Yi-Yeoun; Li, Shunbo; Walshaw, Richard; Chen, Li; Meldrum, Fiona C
2015-12-02
A "crystal hotel" microfluidic device that allows crystal growth in confined volumes to be studied in situ is used to produce large calcite single crystals with predefined crystallographic orientation, microstructure, and shape by control of the detailed physical environment, flow, and surface chemistry. This general approach can be extended to form technologically important, nanopatterned single crystals. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Topology optimization of two-dimensional asymmetrical phononic crystals
Energy Technology Data Exchange (ETDEWEB)
Dong, Hao-Wen [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China); Su, Xiao-Xing [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang, Yue-Sheng, E-mail: yswang@bjtu.edu.cn [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Chuanzeng [Department of Civil Engineering, University of Siegen, D-57068 Siegen (Germany)
2014-01-17
The multiple elitist genetic algorithm with the adaptive fuzzy fitness granulation (AFFG) is used to design the phononic crystals with large relative bandgap width (BGW) for combined out-of-plane and in-plane wave modes. Without assumption on the symmetry of the unit-cell, we obtain an asymmetrical phononic crystal with the relative BGW which is quite larger than that of the optimized symmetrical structure. With the help of AFFG, the number of the fitness function evaluations is reduced by over 50% and the procedure converges 5 times faster than the conventional evolutionary algorithm to reach the same final fitness values.
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Offermann, Lesa R; He, John Z; Mank, Nicholas J; Booth, William T; Chruszcz, Maksymilian
2014-03-01
The production of macromolecular crystals suitable for structural analysis is one of the most important and limiting steps in the structure determination process. Often, preliminary crystallization trials are performed using hundreds of empirically selected conditions. Carboxylic acids and/or their salts are one of the most popular components of these empirically derived crystallization conditions. Our findings indicate that almost 40 % of entries deposited to the Protein Data Bank (PDB) reporting crystallization conditions contain at least one carboxylic acid. In order to analyze the role of carboxylic acids in macromolecular crystallization, a large-scale analysis of the successful crystallization experiments reported to the PDB was performed. The PDB is currently the largest source of crystallization data, however it is not easily searchable. These complications are due to a combination of a free text format, which is used to capture information on the crystallization experiments, and the inconsistent naming of chemicals used in crystallization experiments. Despite these difficulties, our approach allows for the extraction of over 47,000 crystallization conditions from the PDB. Initially, the selected conditions were investigated to determine which carboxylic acids or their salts are most often present in crystallization solutions. From this group, selected sets of crystallization conditions were analyzed in detail, assessing parameters such as concentration, pH, and precipitant used. Our findings will lead to the design of new crystallization screens focused around carboxylic acids.
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High Resolution Displays Using NCAP Liquid Crystals
Macknick, A. Brian; Jones, Phil; White, Larry
1989-07-01
Nematic curvilinear aligned phase (NCAP) liquid crystals have been found useful for high information content video displays. NCAP materials are liquid crystals which have been encapsulated in a polymer matrix and which have a light transmission which is variable with applied electric fields. Because NCAP materials do not require polarizers, their on-state transmission is substantially better than twisted nematic cells. All dimensional tolerances are locked in during the encapsulation process and hence there are no critical sealing or spacing issues. By controlling the polymer/liquid crystal morphology, switching speeds of NCAP materials have been significantly improved over twisted nematic systems. Recent work has combined active matrix addressing with NCAP materials. Active matrices, such as thin film transistors, have given displays of high resolution. The paper will discuss the advantages of NCAP materials specifically designed for operation at video rates on transistor arrays; applications for both backlit and projection displays will be discussed.
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Lisgarten, J. N.; Marks, J. A.
2018-05-01
This paper reports on an unusual crystal-crystal transformation phenomenon, which we have called the Morse Code Effect, based on the change in appearance of lead(II) oxalate crystals grown in agarose gels.
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International Nuclear Information System (INIS)
Senda, Miki; Hatta, Takashi; Kimbara, Kazuhide; Senda, Toshiya
2010-01-01
A thermostable manganese(II)-dependent 2,3-dihydroxybiphenyl-1,2-dioxygenase derived from Bacillus sp. JF8 was crystallized in two forms using the sitting-drop vapour-diffusion method. Both crystals diffracted to approximately 1.3 Å resolution. A thermostable manganese(II)-dependent 2,3-dihydroxybiphenyl-1,2-dioxygenase derived from Bacillus sp. JF8 was crystallized. The initial screening for crystallization was performed by the sitting-drop vapour-diffusion method using a crystallization robot, resulting in the growth of two crystal forms. The first crystal belonged to space group P1, with unit-cell parameters a = 62.7, b = 71.4, c = 93.6 Å, α = 71.2, β = 81.0, γ = 64.0°, and diffracted to 1.3 Å resolution. The second crystal belonged to space group I222, with unit-cell parameters a = 74.2, b = 90.8, c = 104.3 Å, and diffracted to 1.3 Å resolution. Molecular-replacement trials using homoprotocatechuate 2,3-dioxygenase from Arthrobacter globiformis (28% amino-acid sequence identity) as a search model provided a satisfactory solution for both crystal forms
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Physical properties of smectic C liquid crystal cells
International Nuclear Information System (INIS)
Dunn, P.E.
1998-01-01
The aim of this work was to investigate some of the fundamental physical properties of surface stabilised ferroelectric liquid crystal devices (SSFLCDs) using optical, electrical and x-ray diffraction techniques. The measured physical parameters are then related to the performance of display devices. Refractometry measurements on homeotropically aligned FLC samples are used to accurately determine the smectic cone angle and information is also gained on FLC biaxial order. Propagation of optically excited guided modes along liquid crystalline layers is then used to obtain detailed director configuration information. Wavelength dependent extinction angle spectroscopy is also used to extract smectic C director profiles, albeit with a slightly lower accuracy than the guided mode method. A triangular director profile model is found to describe the wavelength dependent extinction angle properties of achiral samples, and examination of the cell spacing dependence of the director profile enables a ratio of bulk elasticity to surface anchoring energy to be determined. Information is obtained on the behaviour of smectic C materials under high frequency electric fields using a continuum director profile model, providing a novel measurement of bend and splay elastic constants. Additionally an extension of the wavelength dependent extinction angle technique allows half splayed states to be characterised. A variety of simple electro-optic techniques are used to characterise several key material parameters. Polarisation reversal current is used to measure both the spontaneous polarisation and an effective FLC switching viscosity. Monochromatic extinction angle measurements under applied d.c. fields are used to determine the cone and layer tilt angles, whilst a comparison of d.c. and a.c. extinction angle characteristics provides an estimate of the dielectric biaxiality. An automated measurement technique is used to determine FLC response time characteristics, which are described
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Physical properties of smectic C liquid crystal cells
Energy Technology Data Exchange (ETDEWEB)
Dunn, P E
1998-07-01
The aim of this work was to investigate some of the fundamental physical properties of surface stabilised ferroelectric liquid crystal devices (SSFLCDs) using optical, electrical and x-ray diffraction techniques. The measured physical parameters are then related to the performance of display devices. Refractometry measurements on homeotropically aligned FLC samples are used to accurately determine the smectic cone angle and information is also gained on FLC biaxial order. Propagation of optically excited guided modes along liquid crystalline layers is then used to obtain detailed director configuration information. Wavelength dependent extinction angle spectroscopy is also used to extract smectic C director profiles, albeit with a slightly lower accuracy than the guided mode method. A triangular director profile model is found to describe the wavelength dependent extinction angle properties of achiral samples, and examination of the cell spacing dependence of the director profile enables a ratio of bulk elasticity to surface anchoring energy to be determined. Information is obtained on the behaviour of smectic C materials under high frequency electric fields using a continuum director profile model, providing a novel measurement of bend and splay elastic constants. Additionally an extension of the wavelength dependent extinction angle technique allows half splayed states to be characterised. A variety of simple electro-optic techniques are used to characterise several key material parameters. Polarisation reversal current is used to measure both the spontaneous polarisation and an effective FLC switching viscosity. Monochromatic extinction angle measurements under applied d.c. fields are used to determine the cone and layer tilt angles, whilst a comparison of d.c. and a.c. extinction angle characteristics provides an estimate of the dielectric biaxiality. An automated measurement technique is used to determine FLC response time characteristics, which are described
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Dichroic Liquid Crystal Displays
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
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Energy Technology Data Exchange (ETDEWEB)
Maes, Dominique, E-mail: dominique.maes@vub.ac.be; Crabeel, Marjolaine [Laboratorium voor Ultrastructuur, Vrije Universiteit Brussel (VUB) and Vlaams Interuniversitair Instituut voor Biotechnologie (VIB), Pleinlaan 2, B-1050 Brussels (Belgium); Van de Weerdt, Cécile; Martial, Joseph [Laboratoire de Biologie Moléculaire et de Génie Génétique, Université de Liège, Allée de la Chimie 3, B-4000 Liège (Belgium); Peeters, Eveline; Charlier, Daniël [Erfelijkheidsleer en Microbiologie, Vrije Universiteit Brussel (VUB), Pleinlaan 2, B-1050 Brussels (Belgium); Decanniere, Klaas; Vanhee, Celine; Wyns, Lode; Zegers, Ingrid [Laboratorium voor Ultrastructuur, Vrije Universiteit Brussel (VUB) and Vlaams Interuniversitair Instituut voor Biotechnologie (VIB), Pleinlaan 2, B-1050 Brussels (Belgium)
2006-12-01
A study on the crystallization of ornithine acetyltransferase from yeast, catalysing the fifth step in microbial arginine synthesis, is presented. The use of the counter-diffusion technique removes the disorder present in one dimension in crystals grown by either batch or hanging-drop techniques. A study is presented on the crystallization of ornithine acetyltransferase from yeast, which catalyzes the fifth step in microbial arginine synthesis. The use of the counter-diffusion technique removes the disorder present in one dimension in crystals grown by either the batch or hanging-drop techniques. This makes the difference between useless crystals and crystals that allow successful determination of the structure of the protein. The crystals belong to space group P4, with unit-cell parameters a = b = 66.98, c = 427.09 Å, and a data set was collected to 2.76 Å.
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Shieh, H S; Ghisla, S; Hanson, L K; Ludwig, M L; Nordman, C E
1981-08-04
The molecular complex lumiflavin-2-aminobenzoic acid monohydrate (C13H12N4O2.C7H7NO2.H2O) crystallizes from from aqueous solution as red triclinic prisms. The space group is P1 with cell dimensions a = 9.660 A, b = 14.866 A, c = 7.045 A, alpha = 95.44 degrees , beta = 95.86 degrees, and gamma = 105.66 degrees . The crystal structure was solved by direct methods and refined by block-diagonal least-squares procedures to an R value of 0.050 on the basis of 1338 observed reflections. The structure is composed of stacks of alternating lumiflavin adn un-ionized (neutral) 2-aminobenzoic acid molecules. Two different modes of stacking interaction are observed. In one, 2-aminobenzoic acid overlaps all three of the isoalloxazine rings, at a mean distance of 3.36 A; in the other, 2-aminobenzoic acid interacts distance of 3.36 A; in the other, 2-aminobenzoic acid interacts with the pyrazine and dimethylbenzene moieties, at a distance of 3.42 A. Perpendicular to the stacking direction, the molecules form a continuous sheet. Each flavin is hydrogen bonded via O(2) and NH(3) to two symmetrically related aminobenzoates; the water of crystallization forms three hydrogen bonds, bridging two flavins, via O(4) and N(5), and one aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid. The red color of the crystals results from a charge-transfer transition involving stacked flavin and 2-aminobenzoic acid molecules. Measurements of the polarized optical absorption spectra of crystals show that the transition moment direction for the long wavelength absorbance (beyond 530 nm) contains an out-of-plane component which can only arise from a charge-transfer interaction. Since the amino N does not make exceptionally close interactions with isoalloxazine atoms in either stacking mode (minimum interatomic distance 3.52 A), the charge transfer is presumed to involve pi orbitals of the 2-aminobenzoic acid donor.
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International Nuclear Information System (INIS)
Neiers, F.; Madhurantakam, C.; Fälker, S.; Normark, S.; Henriques-Normark, B.; Achour, A.
2008-01-01
Crystallization conditions and preliminary X-ray diffraction analysis of the S. pneumoniae-derived pilus-associated protein sortase C are reported. The pilus-associated sortase C from Streptococcus pneumoniae (SrtC or Srt-2) acts as a polymerase for the pilus subunit proteins RrgA and RrgB. Here, the crystallization and preliminary X-ray diffraction analysis of three crystal forms of SrtC are reported. One crystal form belongs to space group P2 1 2 1 2 1 , with unit-cell parameters a = 48.9, b = 96.9, c = 98.9 Å, α = β = γ = 90°. The other two crystal forms belong to space group P222, with unit-cell parameters a = 48.8, b = 97.2, c = 99.2 Å, α = β = γ = 90° and a = 48.6, b = 96.5, c = 98.8 Å, α = β = γ = 90°, respectively. Preliminary analysis indicates the presence of two molecules in the asymmetric unit of the crystal for all three forms
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International Nuclear Information System (INIS)
Li, D Z; Xu, X D; Zhou, D H; Xia, C T; Wu, F; Xu, J; Cong, Z H; Zhang, J; Tang, D Y
2011-01-01
High quality Nd 3+ -doped Lu 2 SiO 5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω 2,4,6 were obtained to be 2.59, 4.90, and 5.96×10 -20 cm 2 , respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10 -20 cm 2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material
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Li, D. Z.; Xu, X. D.; Zhou, D. H.; Xia, C. T.; Wu, F.; Xu, J.; Cong, Z. H.; Zhang, J.; Tang, D. Y.
2011-01-01
High quality Nd3+-doped Lu2SiO5 (Nd:LSO) crystal has been grown by the Czochralski technique. The cell parameters were analyzed with X-ray diffraction (XRD). Room temperature absorption and fluorescence spectra and fluorescence lifetime of the Nd:LSO crystal were measured and analyzed. The Judd-Ofelt intensity parameters Ω2,4,6 were obtained to be 2.59, 4.90, and 5.96×10-20 cm2, respectively. The absorption and emission cross sections and the branching ratios were calculated. The peak emission cross section is 5.8 and 6.6×10-20 cm2 at 1075 and 1079 nm, respectively, with full width at half maximum (FWHM) of 2.8 and 5.1 nm in turn. Pumped by a laser diode, a maximum 2.54 W continuous-wave laser output has been obtained with a slope efficiency of 32%. All the results show that this crystal is a promising laser material.
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Structure of single-chain single crystals of isotactic polystyrene and their radiation resistance
International Nuclear Information System (INIS)
Bu Haishan; Cao Jie; Xu Shengyong; Zhang Ze
1997-01-01
The structure of the single-chain single crystals of isotactic polystyrene (i-PS) was investigated by electron diffraction (ED) and high resolution electron microscopy (HREM). The nano-scale single-chain single crystals were found to be very stable to electron irradiation. According to the unit cell of i-PS crystals, the reflection rings in ED pattern and the lattice fringes in HREM images could be indexed, but the lower-index diffractions were not found. It is proposed that the single-chain single crystals are very small, thus secondary electrons may be allowed to escape and radiation damage is highly reduced, and that there are less lower-index lattice planes in the single-chain single crystals to provide sufficient diffraction intensity for recording. HREM images can be achieved at room temperature in the case of single-chain single crystals because of its stability to electron irradiation, therefore, this might be a novel experimental approach to the study of crystal structure of macromolecules
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Growth, crystal structure, spectral properties and laser performance of Yb3+:NaLu(MoO4)2 crystal
International Nuclear Information System (INIS)
Yu, Yi; Zhang, Lizhen; Huang, Yisheng; Lin, Zhoubin; Wang, Guofu
2013-01-01
A double molybdate Yb 3+ :NaLu(MoO 4 ) 2 crystal was successfully grown from a flux of Na 2 Mo 2 O 7 by the top-seeded solution growth method, for the first time to our knowledge. The crystal belongs to the tetragonal system with space group I4 1 /a, and the unit-cell parameters are a = b = 5.159 Å, c = 11.246 Å. Na and Lu atoms co-occupy the same lattice site, which leads to the disordered structure of NaLu(MoO 4 ) 2 crystal. The thermal expansion coefficients of the crystal are 1.35 × 10 −5 K −1 along the c-axis, and 1.01 × 10 −5 K −1 along the a-axis. The full-width at half-maximum of the emission bands are 67 nm for the σ-polarization and 50 nm for the π-polarization at about 1020 nm. The maximum emission cross-sections for the σ- and π-polarizations are 2.79 × 10 −20 cm 2 and 2.94 × 10 −20 cm 2 , respectively. 0.3 W output power at 1025 nm was obtained at an absorbed pump power of 1.7 W, with a slope efficiency of 24%. (paper)
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Growth, crystal structure, spectral properties and laser performance of Yb3+:NaLu(MoO4)2 crystal
Yu, Yi; Zhang, Lizhen; Huang, Yisheng; Lin, Zhoubin; Wang, Guofu
2013-10-01
A double molybdate Yb3+:NaLu(MoO4)2 crystal was successfully grown from a flux of Na2Mo2O7 by the top-seeded solution growth method, for the first time to our knowledge. The crystal belongs to the tetragonal system with space group I41/a, and the unit-cell parameters are a = b = 5.159 Å, c = 11.246 Å. Na and Lu atoms co-occupy the same lattice site, which leads to the disordered structure of NaLu(MoO4)2 crystal. The thermal expansion coefficients of the crystal are 1.35 × 10-5 K-1 along the c-axis, and 1.01 × 10-5 K-1 along the a-axis. The full-width at half-maximum of the emission bands are 67 nm for the σ-polarization and 50 nm for the π-polarization at about 1020 nm. The maximum emission cross-sections for the σ- and π-polarizations are 2.79 × 10-20 cm2 and 2.94 × 10-20 cm2, respectively. 0.3 W output power at 1025 nm was obtained at an absorbed pump power of 1.7 W, with a slope efficiency of 24%.
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Alignment structures in ferroelectric liquid crystals
Energy Technology Data Exchange (ETDEWEB)
Islam, N.U
1998-07-01
Although for many years liquid crystals were of purely scientific interest, they have now become ubiquitous in everyday life. The use of the nematic liquid crystal phase in flat panel display applications has been the main factor in this popularity. However, with the advent of the SuperTwist Nematic (STN) device, the limits to which this phase could be exploited for display applications was perhaps reached. With the discovery by Clark et al. of the Surface Stabilised Ferroelectric Liquid Crystal (SSFLC) configuration, the possibility arose of using chiral smectic liquid crystals to create large area, passively addressed, fast switching, flat panel displays. Unfortunately, the structures that form within smectic liquid crystals, and the dynamics of the switching within these, are still not fully understood. In this thesis we address the former of these, making a detailed the study of the structures that form within tilted smectic liquid crystal devices. We present here the first complete theoretical and experimental study of various different ferroelectric liquid crystal materials, where we employed theoretical models based on a simple set of assumptions to understand the behaviour of a set of increasingly complex experimental systems. We started with the simplest of these, Freely Suspended Smectic Films (FSSFs) and then worked with progressively more realistic systems in the form of homeotropically, and later, homogeneously aligned liquid crystal cells. The equilibrium structures that form get particularly complex in the last case, taking the form of tilted and chevron layering structures. In each of these cases, the predictions of the modelling are compared with our experimental results. Further, we present here the first model of the chevron cusp that seeks to include the effects of biaxiality in the S{sub C} phase. We also present a model that seeks to analyse the stability of the chevron layering structure and its relationship with tilted layers. This includes
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Alignment structures in ferroelectric liquid crystals
International Nuclear Information System (INIS)
Islam, N.U.
1998-01-01
Although for many years liquid crystals were of purely scientific interest, they have now become ubiquitous in everyday life. The use of the nematic liquid crystal phase in flat panel display applications has been the main factor in this popularity. However, with the advent of the SuperTwist Nematic (STN) device, the limits to which this phase could be exploited for display applications was perhaps reached. With the discovery by Clark et al. of the Surface Stabilised Ferroelectric Liquid Crystal (SSFLC) configuration, the possibility arose of using chiral smectic liquid crystals to create large area, passively addressed, fast switching, flat panel displays. Unfortunately, the structures that form within smectic liquid crystals, and the dynamics of the switching within these, are still not fully understood. In this thesis we address the former of these, making a detailed the study of the structures that form within tilted smectic liquid crystal devices. We present here the first complete theoretical and experimental study of various different ferroelectric liquid crystal materials, where we employed theoretical models based on a simple set of assumptions to understand the behaviour of a set of increasingly complex experimental systems. We started with the simplest of these, Freely Suspended Smectic Films (FSSFs) and then worked with progressively more realistic systems in the form of homeotropically, and later, homogeneously aligned liquid crystal cells. The equilibrium structures that form get particularly complex in the last case, taking the form of tilted and chevron layering structures. In each of these cases, the predictions of the modelling are compared with our experimental results. Further, we present here the first model of the chevron cusp that seeks to include the effects of biaxiality in the S C phase. We also present a model that seeks to analyse the stability of the chevron layering structure and its relationship with tilted layers. This includes an
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Crystallization and preliminary crystallographic analysis of l-asparaginase from Erwinia carotovora
International Nuclear Information System (INIS)
Wikman, Linnea E. K.; Krasotkina, Julya; Kuchumova, Anastasia; Sokolov, Nikolay N.; Papageorgiou, Anastassios C.
2005-01-01
Er. carotovoral-asparaginase, a potential antileukaemic agent, has been crystallized. Crystals diffract to 2.6 Å using a rotating-anode source and belong to space group P2 1 , with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. Bacterial l-asparaginases have been used as therapeutic agents in the treatment of acute childhood lymphoblastic leukaemia for over 30 y. However, their use is limited owing to the glutaminase activity of the administered enzymes, which results in serious side effects. In contrast, l-asparaginase from Erwinia carotovora exhibits low glutaminase activity at physiological concentrations of l-asparagine and l-glutamine in the blood. Recombinant Er. carotovoral-asparaginase was crystallized in the presence of l-glutamate by the hanging-drop vapour-diffusion method using 10 mg ml −1 purified enzyme, 16–18%(w/v) PEG 3350 and 0.2 M NaF. X-ray diffraction data were collected to 2.6 Å at 293 K using an in-house rotating-anode generator. The crystals belong to the monoclinic P2 1 space group, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. A molecular-replacement solution has been found and refinement is currently in progress. The crystal structure may provide leads towards protein-engineering efforts aimed at safer asparaginase administration in leukaemia treatment
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Expression, crystallization and preliminary X-ray crystallographic analysis of human agmatinase
International Nuclear Information System (INIS)
Kim, Kyoung Hoon; Ahn, Hyung Jun; Kim, Do Jin; Lee, Hyung Ho; Ha, Jun-Yong; Kim, Hye-Kyung; Yoon, Hye-Jin; Suh, Se Won
2005-01-01
Human agmatinase (Ala36–Val352) was overexpressed and crystallized, and X-ray diffraction data were collected to 2.49 Å. Agmatine, which results from the decarboxylation of l-arginine by arginine decarboxylase, is a metabolic intermediate in the biosynthesis of putresine and higher polyamines (spermidine and spermine). Recent studies indicate that agmatine can have several important biochemical effects in humans, ranging from effects on the central nervous system to cell proliferation in cancer and viral replication. Agmatinase catalyses the hydrolysis of agmatine to putresine and urea and is a major target for drug action and development. The human agmatinase gene encodes a 352-residue protein with a putative mitochondrial targeting sequence at the N-terminus. Human agmatinase (residues Ala36–Val352) has been overexpressed as a fusion with both N- and C-terminal purification tags in Escherichia coli and crystallized in the presence of Mn 2+ and 1,6-diaminohexane at 297 K using polyethylene glycol 4000 as a precipitant. X-ray diffraction data were collected at 100 K to 2.49 Å from a flash-frozen crystal. The crystals are tetragonal, belonging to space group P4 2 , with unit-cell parameters a = b = 114.54, c = 125.65 Å, α = β = γ = 90°. Three monomers are likely to be present in the asymmetric unit, giving a crystal volume per protein weight (V M ) of 3.66 Å 3 Da −1 and a solvent content of 66.4%
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Yu, Yi; Huang, Yisheng; Zhang, Lizhen; Lin, Zhoubin; Sun, Shijia; Wang, Guofu
2014-07-01
A Nd3+:Na2La4(WO4)7 crystal with dimensions of ϕ 17 × 30 mm3 was grown by the Czochralski method. The thermal expansion coefficients of Nd3+:Na2La4(WO4)7 crystal are 1.32 × 10-5 K-1 along c-axis and 1.23 × 10-5 K-1 along a-axis, respectively. The spectroscopic characteristics of Nd3+:Na2La4(WO4)7 crystal were investigated. The Judd-Ofelt theory was applied to calculate the spectral parameters. The absorption cross sections at 805 nm are 2.17 × 10-20 cm2 with a full width at half maximum (FWHM) of 15 nm for π-polarization, and 2.29 × 10-20 cm2 with a FWHM of 14 nm for σ-polarization. The emission cross sections are 3.19 × 10-20 cm2 for σ-polarization and 2.67 × 10-20 cm2 for π-polarization at 1,064 nm. The fluorescence quantum efficiency is 67 %. The quasi-cw laser of Nd3+:Na2La4(WO4)7 crystal was performed. The maximum output power is 80 mW. The slope efficiency is 7.12 %. The results suggest Nd3+:Na2La4(WO4)7 crystal as a promising laser crystal fit for laser diode pumping.
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Jalali, Tahmineh
2018-05-01
In this work, the effect of one-dimensional photonic crystal on optical absorption, which is implemented at the back side of thin-film crystalline silicon (c-Si) solar cells, is extensively discussed. The proposed structure acts as a Bragg reflector which reflects back light to the active layer as well as nanograting which couples the incident light to enhance optical absorption. To understand the optical mechanisms responsible for the enhancement of optical absorption, quantum efficiency and current density for all structures are calculated and the effect of influential parameters, such as grating period is investigated. The results confirm that our proposed structure have a great deal for substantial efficiency enhancement in a broad range from 400 to 1100 nm.
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Two-dimensional photonic crystal arrays for polymer:fullerene solar cells.
Nam, Sungho; Han, Jiyoung; Do, Young Rag; Kim, Hwajeong; Yim, Sanggyu; Kim, Youngkyoo
2011-11-18
We report the application of two-dimensional (2D) photonic crystal (PC) array substrates for polymer:fullerene solar cells of which the active layer is made with blended films of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). The 2D PC array substrates were fabricated by employing a nanosphere lithography technique. Two different hole depths (200 and 300 nm) were introduced for the 2D PC arrays to examine the hole depth effect on the light harvesting (trapping). The optical effect by the 2D PC arrays was investigated by the measurement of optical transmittance either in the direction normal to the substrate (direct transmittance) or in all directions (integrated transmittance). The results showed that the integrated transmittance was higher for the 2D PC array substrates than the conventional planar substrate at the wavelengths of ca. 400 nm, even though the direct transmittance of 2D PC array substrates was much lower over the entire visible light range. The short circuit current density (J(SC)) was higher for the device with the 2D PC array (200 nm hole depth) than the reference device. However, the device with the 2D PC array (300 nm hole depth) showed a slightly lower J(SC) value at a high light intensity in spite of its light harvesting effect proven at a lower light intensity.
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Crystal optimization and preliminary diffraction data analysis of the SCAN domain of Zfp206
International Nuclear Information System (INIS)
Liang, Yu; Choo, Siew Hua; Rossbach, Michael; Baburajendran, Nithya; Palasingam, Paaventhan; Kolatkar, Prasanna R
2012-01-01
Crystals of the SCAN domain of Zfp206 are tetragonal, belonging to space group I422 with unit-cell parameters a = 67.57, c = 87.54 Å and one molecule in the asymmetric unit, and diffract to 1.85 Å resolution. Zfp206 (also named Zscan10) is a transcription factor that plays an important role in maintaining the pluripotent state of embryonic stem cells. Zfp206 is a member of the SCAN-domain family of C 2 H 2 zinc-finger transcription factors. The SCAN domain is a highly conserved motif of 84 residues which mediates the self-association of and heterodimerization between SCAN-domain family transcription factors. The SCAN domain may therefore be the key to the selective oligomerization of and may combinatorially enhance the regulatory versatility of C 2 H 2 zinc fingers. This paper describes crystallization attempts with the SCAN domain of Zfp206 (Zfp206SCAN) and optimization strategies to obtain diffraction-quality crystals. The best diffracting crystal was grown in a solution consisting of 0.3 M ammonium sulfate, 0.1 M Tris–HCl pH 8.6, 25% PEG 3350, 0.1 M ethylenediaminetetraacetic acid disodium salt dehydrate (EDTA) using the hanging-drop vapour-diffusion technique. Optimized crystals diffracted to 1.85 Å resolution and belonged to space group I422, with unit-cell parameters a = 67.57, c = 87.54 Å. A Matthews analysis indicated the presence of one Zfp206SCAN molecule per asymmetric unit
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Crystal structure studies on plate/shelf like disodium ditungstate
Indian Academy of Sciences (India)
Inorganic materials; disodium ditungstate; crystal structure; scanning electron microscopy; X-ray ... generation, and horizontal electric furnace with quartz tube ... Unit cell dimensions: a = 7·22192(11) Е, b = 11·91559(17) Е, c = 14·74755(23) Е. Cell content: 8 Na2W2O7). Atom. Position. X(σ(X)). Y(σ(Y)). Z(σ(Z)). B(σ(B)). W (1).
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Crystal growth and characterization of new semiorganic nonlinear optical single crystals
Energy Technology Data Exchange (ETDEWEB)
Kulshrestha, Shobha, E-mail: shobha011986@gmail.com; Shrivastava, A. K., E-mail: ashwaniaks@rediffmail.com [School of Studies in Physics, Jiwaji University Gwalior (M.P.) – 474 011 (India)
2016-05-06
An organic material of a L-histidine monohydrochloride single crystal was grown in a distilled water solution using the slow evaporation method at 40–45°C. The grown crystal was transparent and colourless, with a size of about 20 × 9 × 5 mm{sup 3}, obtained within a period of 21 days. The solubility of grown crystals have found out at various temperatures. The UV-visible transmittance studies show that the grown crystals have wide optical transparency in the entire visible region It is observed that the crystal has transparency window from 255nm to 700nm and its energy gap (Eg) found to be is 3.1eV. The grown crystal was subjected to powder X-ray diffraction analysis, confirming that the orthorhombic crystalline nature of the crystal. To identify the surface morphology, the as grown crystal was subjected to FE-SEM technique. The chemical composition of the grown crystal was estimated by Energy dispersive X-ray analysis. The optical behaviour of the grown crystal was analyzed by PL study.
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Energy Technology Data Exchange (ETDEWEB)
Zajonc, D.M.; Saveage, P.B.; Bendelac, A.; Wilson, I.A.; Teyton, L.
2009-05-28
The semi-invariant Valpha14Jalpha18 T cell receptor (TCR) is expressed by regulatory NKT cells and has the unique ability to recognize chemically diverse ligands presented by CD1d. The crystal structure of CD1d complexed to a natural, endogenous ligand, isoglobotrihexosylceramide (iGb3), illustrates the extent of this diversity when compared to the binding of potent, exogenous ligands, such as alpha-galactosylceramide (alpha-GalCer). A single mode of recognition for these two classes of ligands would then appear problematic for a single T cell receptor. However, the Valpha14 TCR adopts two different conformations in the crystal where, in one configuration, the presence of a larger cavity between the two CDR3 regions could accommodate iGb3 and, in the other, a smaller cavity fits alpha-GalCer more snugly. Alternatively, the extended iGb3 headgroup could be 'squashed' upon docking of the TCR and accommodated between the CD1 and TCR surfaces. Thus, the same TCR may adopt alternative modes of recognition for these foreign and self-ligands for NKT cell activation.
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Single Crystals of Organolead Halide Perovskites: Growth, Characterization, and Applications
Peng, Wei
2017-04-01
With the soaring advancement of organolead halide perovskite solar cells rising from a power conversion efficiency of merely 3% to more than 22% shortly in five years, researchers’ interests on this big material family have been greatly spurred. So far, both in-depth studies on the fundamental properties of organolead halide perovskites and their extended applications such as photodetectors, light emitting diodes, and lasing have been intensively reported. The great successes have been ascribed to various superior properties of organolead halide hybrid perovskites such as long carrier lifetimes, high carrier mobility, and solution-processable high quality thin films, as will be discussed in Chapter 1. Notably, most of these studies have been limited to their polycrystalline thin films. Single crystals, as a counter form of polycrystals, have no grain boundaries and higher crystallinity, and thus less defects. These characteristics gift single crystals with superior optical, electrical, and mechanical properties, which will be discussed in Chapter 2. For example, organolead halide perovskite single crystals have been reported with much longer carrier lifetimes and higher carrier mobilities, which are especially intriguing for optoelectronic applications. Besides their superior optoelectronic properties, organolead halide perovskites have shown large composition versatility, especially their organic components, which can be controlled to effectively adjust their crystal structures and further fundamental properties. Single crystals are an ideal platform for such composition-structure-property study since a uniform structure with homogeneous compositions and without distraction from grain boundaries as well as excess defects can provide unambiguously information of material properties. As a major part of work of this dissertation, explorative work on the composition-structure-property study of organic-cation-alloyed organolead halide perovskites using their single
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LCP crystallization and X-ray diffraction analysis of VcmN, a MATE transporter from Vibrio cholerae
Energy Technology Data Exchange (ETDEWEB)
Kusakizako, Tsukasa [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Tanaka, Yoshiki [Graduate School of Biological Sciences, Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma, Nara 630-0192 (Japan); Hipolito, Christopher J. [Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); University of Tsukuba, 1-1-1 Tennodai, Tsukuba 305-8575 (Japan); Kuroda, Teruo [Graduate School of Biomedical and Health Sciences, Hiroshima University, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8553 (Japan); Ishitani, Ryuichiro [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan); Suga, Hiroaki [Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Nureki, Osamu, E-mail: nureki@bs.s.u-tokyo.ac.jp [Graduate School of Science, The University of Tokyo, 2-11-16 Yayoi, Bunkyo-ku, Tokyo 113-0032 (Japan)
2016-06-22
A V. cholerae MATE transporter was crystallized using the lipidic cubic phase (LCP) method. X-ray diffraction data sets were collected from single crystals obtained in a sandwich plate and a sitting-drop plate to resolutions of 2.5 and 2.2 Å, respectively. Multidrug and toxic compound extrusion (MATE) transporters, one of the multidrug exporter families, efflux xenobiotics towards the extracellular side of the membrane. Since MATE transporters expressed in bacterial pathogens contribute to multidrug resistance, they are important therapeutic targets. Here, a MATE-transporter homologue from Vibrio cholerae, VcmN, was overexpressed in Escherichia coli, purified and crystallized in lipidic cubic phase (LCP). X-ray diffraction data were collected to 2.5 Å resolution from a single crystal obtained in a sandwich plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 52.3, b = 93.7, c = 100.2 Å. As a result of further LCP crystallization trials, crystals of larger size were obtained using sitting-drop plates. X-ray diffraction data were collected to 2.2 Å resolution from a single crystal obtained in a sitting-drop plate. The crystal belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 61.9, b = 91.8, c = 100.9 Å. The present work provides valuable insights into the atomic resolution structure determination of membrane transporters.
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International Nuclear Information System (INIS)
Wen Jihong; Yu, Dianlong; Wang Gang; Zhao Honggang; Liu Yaozong; Wen Xisen
2007-01-01
The directional propagation characteristics of elastic wave during pass bands in two-dimensional thin plate phononic crystals are analyzed by using the lumped-mass method to yield the phase constant surface. The directions and regions of wave propagation in phononic crystals for certain frequencies during pass bands are predicted with the iso-frequency contour lines of the phase constant surface, which are then validated with the harmonic responses of a finite two-dimensional thin plate phononic crystals with 16x16 unit cells. These results are useful for controlling the wave propagation in the pass bands of phononic crystals
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International Nuclear Information System (INIS)
Jaimohan, S. M.; Naresh, M. D.; Arumugam, V.; Mandal, A. B.
2009-01-01
Parakeet (Psittacula krameri) haemoglobin has been purified and crystallized under low salt buffered conditions. Preliminary analysis of the crystal that belonged to monoclinic system (C2) is reported. Birds often show efficient oxygen management in order to meet the special demands of their metabolism. However, the structural studies of avian haemoglobins (Hbs) are inadequate for complete understanding of the mechanism involved. Towards this end, purification, crystallization and preliminary X-ray diffraction studies have been carried out for parakeet Hb. Parakeet Hb was crystallized as the met form in low-salt buffered conditions after extracting haemoglobin from crude blood by microcentrifugation and purifying the sample by column chromatography. Good-quality crystals were grown from 10% PEG 3350 and a crystal diffracted to about 2.8 Å resolution. Preliminary diffraction data showed that the Hb crystal belonged to the monoclinic system (space group C2), with unit-cell parameters a = 110.68, b = 64.27, c = 56.40 Å, β = 109.35°. Matthews volume analysis indicated that the crystals contained a half-tetramer in the asymmetric unit
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International Nuclear Information System (INIS)
Linke, Christian; Caradoc-Davies, Tom T.; Proft, Thomas; Baker, Edward N.
2008-01-01
The S. pyogenes laminin-binding protein Lbp, which is essential for adhesion to human laminin, has been expressed, purified and crystallized. The laminin-binding protein Lbp (Spy2007) from Streptococcus pyogenes (a group A streptococcus) mediates adhesion to the human basal lamina glycoprotein laminin. Accordingly, Lbp is essential in in vitro models of cell adhesion and invasion. However, the molecular and structural basis of laminin binding by bacteria remains unknown. Therefore, the lbp gene has been cloned for recombinant expression in Escherichia coli. Lbp has been purified and crystallized from 30%(w/v) PEG 1500 by the sitting-drop vapour-diffusion method. The crystals belonged to the monoclinic space group P2 1 , with unit-cell parameters a = 42.62, b = 92.16, c = 70.61 Å, β = 106.27°, and diffracted to 2.5 Å resolution
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Energy Technology Data Exchange (ETDEWEB)
Linke, Christian, E-mail: clin180@ec.auckland.ac.nz [School of Biological Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand); Caradoc-Davies, Tom T. [School of Biological Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand); Australian Synchrotron, Clayton, Victoria 3168 (Australia); Proft, Thomas [School of Medical Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand); Baker, Edward N. [School of Biological Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand)
2008-02-01
The S. pyogenes laminin-binding protein Lbp, which is essential for adhesion to human laminin, has been expressed, purified and crystallized. The laminin-binding protein Lbp (Spy2007) from Streptococcus pyogenes (a group A streptococcus) mediates adhesion to the human basal lamina glycoprotein laminin. Accordingly, Lbp is essential in in vitro models of cell adhesion and invasion. However, the molecular and structural basis of laminin binding by bacteria remains unknown. Therefore, the lbp gene has been cloned for recombinant expression in Escherichia coli. Lbp has been purified and crystallized from 30%(w/v) PEG 1500 by the sitting-drop vapour-diffusion method. The crystals belonged to the monoclinic space group P2{sub 1}, with unit-cell parameters a = 42.62, b = 92.16, c = 70.61 Å, β = 106.27°, and diffracted to 2.5 Å resolution.
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Energy Technology Data Exchange (ETDEWEB)
Devi, K. Renuka; Srinivasan, K. [Crystal Growth Laboratory, Department of Physics, School of Physical Sciences, Bharathiar University, Tamil Nadu (India)
2011-12-15
Glycine phosphite (NH{sub 3}CH{sub 2}COO.H{sub 3}PO{sub 3}), a potential ferroelectric material, was grown as single crystals from aqueous solutions by slow evaporation and slow cooling methods. Laboratory synthesized title compound was purified by recrystallization method and confirmed by Fourier transform infrared and Laser Raman studies. Temperature dependent solubility in double distilled water in the range between 288 and 328 K was determined by gravimetric method. Morphological importance of various growth faces were studied by optical goniometry. Powder x-ray diffraction study performed on the grown crystals confirms the crystal system and lattice parameters of the unit cell. Optical transparency of the grown crystals in the ultraviolet-visible -near infrared region was studied by spectroscopic method. Thermal stability of the grown crystals in the temperature region above ambient until melting was studied using differential scanning calorimetry. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
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Steiger, Stefanie; Kuhn, Sabine; Ronchese, Franca; Harper, Jacquie L
2015-12-01
Macrophages display phenotypic and functional heterogeneity dependent on the changing inflammatory microenvironment. Under some conditions, macrophages can acquire effector functions commonly associated with NK cells. In the current study, we investigated how the endogenous danger signal monosodium urate (MSU) crystals can alter macrophage functions. We report that naive, primary peritoneal macrophages rapidly upregulate the expression of the NK cell-surface marker NK1.1 in response to MSU crystals but not in response to LPS or other urate crystals. NK1.1 upregulation by macrophages was associated with mechanisms including phagocytosis of crystals, NLRP3 inflammasome activation, and autocrine proinflammatory cytokine signaling. Further analysis demonstrated that MSU crystal-activated macrophages exhibited NK cell-like cytotoxic activity against target cells in a perforin/granzyme B-dependent manner. Furthermore, analysis of tumor hemopoietic cell populations showed that effective, MSU-mediated antitumor activity required coadministration with Mycobacterium smegmatis to induce IL-1β production and significant accumulation of monocytes and macrophages (but not granulocytes or dendritic cells) expressing elevated levels of NK1.1. Our findings provide evidence that MSU crystal-activated macrophages have the potential to develop tumoricidal NK cell-like functions that may be exploited to boost antitumor activity in vivo. Copyright © 2015 by The American Association of Immunologists, Inc.
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Jia, Fujin; Guo, Yanqun; Che, Lijia; Liu, Zhiyong; Zeng, Zhigang; Cai, Chuanbing
2018-06-01
Although the two-step sequential deposition method provides an efficient route to fabricate high performance perovskite solar cells (PSSCs) with increasing reproducibility, the inefficient and incomplete conversion of PbI2 to perovskite is still quite a challenge. Following pioneering works, we found that the conversion process from PbI2 to perovskite mainly involves diffusion, infiltration, contact and reaction. In order to facilitate the conversion from PbI2 to perovskite, we demonstrate an effective method to regulate supersaturation level (the driving force to crystallization) of PbI2 by solventing-out crystallization combining with subsequent time-delay thermal annealing of PbI2 wet film. Enough voids and spaces in resulting porous PbI2 layer will be in favor of efficient diffusion, infiltration of CH3NH3I solution, and further enhance the contact and reaction between PbI2 and CH3NH3I in the whole film, leading to rapid, efficient and complete perovskite conversion with a conversion level of about 99.9%. Enhancement of light harvesting ranging from visible to near-IR region was achieved for the resultant high-quality perovskite. Upon this combined method, the fabricated mesostructured solar cells show tremendous power conversion efficiency (PCE) improvement from 3.2% to about 12.3% with less hysteresis owing to the simultaneous enhancement of short-circuit photocurrent density (J sc), open-circuit voltage (V oc) and fill factor (FF).
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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.
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Directory of Open Access Journals (Sweden)
Jiankang Li
2017-01-01
Full Text Available Extensive studies of the crystal-rich inclusions (CIs hosted in minerals in pegmatite have resulted in substantially different models for the formation mechanism of the pegmatite. In order to evaluate these previously proposed formation mechanisms, the total homogenization processes of CIs hosted in spodumene from the Jiajika pegmatite deposit in Sichuan, China, were observed in situ under external H2O pressures in a new type of hydrothermal diamond-anvil cell (HDAC. The CIs in a spodumene chip were loaded in the sample chamber of HDAC with water, such that the CIs were under preset external H2O pressures during heating to avoid possible decrepitation. Our in situ observations showed that the crystals within the CIs were dissolved in carbonic-rich aqueous fluid during heating and that cristobalite was usually the first mineral being dissolved, followed by zabuyelite and silicate minerals until their total dissolution at temperatures between 500 and 720°C. These observations indicated that the minerals within the CIs were daughter minerals crystallized from an entrapped carbonate- and silica-rich aqueous solution and therefore provided useful information for evaluating the formation models of granitic pegmatites.
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Directory of Open Access Journals (Sweden)
Usman Latif
2014-12-01
Full Text Available A universal label-free detection of bioanalytes can be performed with biomimetic quartz crystal microbalance (QCM coatings prepared by imprinting strategies. Bulk imprinting was used to detect the endocrine disrupting chemicals (EDCs known as estradiols. The estrogen 17β-estradiol is one of the most potent EDCs, even at very low concentrations. A highly sensitive, selective and robust QCM sensor was fabricated for real time monitoring of 17β-estradiol in water samples by using molecular imprinted polyurethane. Optimization of porogen (pyrene and cross-linker (phloroglucinol levels leads to improved sensitivity, selectivity and response time of the estradiol sensor. Surface imprinting of polyurethane as sensor coating also allowed us to generate interaction sites for the selective recognition of bacteria, even in a very complex mixture of interfering compounds, while they were growing from their spores in nutrient solution. A double molecular imprinting approach was followed to transfer the geometrical features of natural bacteria onto the synthetic polymer to generate biomimetic bacteria. The use of biomimetic bacteria as template makes it possible to prepare multiple sensor coatings with similar sensitivity and selectivity. Thus, cell typing, e.g., differentiation of bacteria strains, bacteria growth profile and extent of their nutrition, can be monitored by biomimetic mass sensors. Obviously, this leads to controlled cell growth in bioreactors.
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International Nuclear Information System (INIS)
Taguchi, Chiho; Taura, Futoshi; Tamada, Taro; Shoyama, Yoshinari; Shoyama, Yukihiro; Tanaka, Hiroyuki; Kuroki, Ryota; Morimoto, Satoshi
2008-01-01
Polyketide synthase-1 from C. sativa has been crystallized. The crystal diffracted to 1.55 Å resolution with sufficient quality for further structure determination. Polyketide synthase-1 (PKS-1) is a novel type III polyketide synthase that catalyzes the biosynthesis of hexanoyl triacetic acid lactone in Cannabis sativa (Mexican strain). PKS-1 was overproduced in Escherichia coli, purified and finally crystallized in two different space groups. The crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M calcium acetate and 20%(w/v) polyethylene glycol 3350 diffracted to 1.65 Å resolution and belonged to space group P1, with unit-cell parameters a = 54.3, b = 59.3, c = 62.6 Å, α = 69, β = 81, γ = 80°. Another crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M sodium chloride and 20%(w/v) polyethylene glycol 3350 diffracted to 1.55 Å resolution and belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 54.3, b = 110, c = 130 Å. These data will enable us to determine the crystal structure of PKS-1
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Energy Technology Data Exchange (ETDEWEB)
Taguchi, Chiho [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Taura, Futoshi [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Tamada, Taro; Shoyama, Yoshinari [Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Shoyama, Yukihiro; Tanaka, Hiroyuki [Faculty of Pharmaceutical Sciences, Kyushu University (Japan); Kuroki, Ryota [Quantum Beam Science Directorate, Japan Atomic Energy Agency (Japan); Morimoto, Satoshi [Faculty of Pharmaceutical Sciences, Kyushu University (Japan)
2008-03-01
Polyketide synthase-1 from C. sativa has been crystallized. The crystal diffracted to 1.55 Å resolution with sufficient quality for further structure determination. Polyketide synthase-1 (PKS-1) is a novel type III polyketide synthase that catalyzes the biosynthesis of hexanoyl triacetic acid lactone in Cannabis sativa (Mexican strain). PKS-1 was overproduced in Escherichia coli, purified and finally crystallized in two different space groups. The crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M calcium acetate and 20%(w/v) polyethylene glycol 3350 diffracted to 1.65 Å resolution and belonged to space group P1, with unit-cell parameters a = 54.3, b = 59.3, c = 62.6 Å, α = 69, β = 81, γ = 80°. Another crystal obtained in 0.1 M HEPES buffer pH 7.5 containing 0.2 M sodium chloride and 20%(w/v) polyethylene glycol 3350 diffracted to 1.55 Å resolution and belonged to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 54.3, b = 110, c = 130 Å. These data will enable us to determine the crystal structure of PKS-1.
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2007-01-01
The production of crystals for the barrel of the CMS electromagnetic calorimeter has been completed. This is an important milestone for the experiment, which received the last of its 62,960 crystals on 9 March. The members of the team responsible for the crystal acceptance testing at CERN display the last crystal for the CMS electromagnetic calorimeter barrel. From left to right: Igor Tarasov, Etiennette Auffray and Hervé Cornet.One of the six machines specially developed to measure 67 different parameters on each crystal. Igor Tarasov is seen inserting the last batch of crystals into the machine. The last of the 62,960 CMS barrel crystals arrived at CERN on 9 March. Once removed from its polystyrene protection, this delicate crystal, like thousands of its predecessors, will be inserted into the last of the 36 supermodules of the barrel electromagnetic calorimeter in a few days' time. This marks the end of an important chapter in an almost 15-year-long journey by the CMS crystals team, some of whose member...
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Jaimohan, S M; Naresh, M D; Arumugam, V; Mandal, A B
2009-10-01
Birds often show efficient oxygen management in order to meet the special demands of their metabolism. However, the structural studies of avian haemoglobins (Hbs) are inadequate for complete understanding of the mechanism involved. Towards this end, purification, crystallization and preliminary X-ray diffraction studies have been carried out for parakeet Hb. Parakeet Hb was crystallized as the met form in low-salt buffered conditions after extracting haemoglobin from crude blood by microcentrifugation and purifying the sample by column chromatography. Good-quality crystals were grown from 10% PEG 3350 and a crystal diffracted to about 2.8 A resolution. Preliminary diffraction data showed that the Hb crystal belonged to the monoclinic system (space group C2), with unit-cell parameters a = 110.68, b = 64.27, c = 56.40 A, beta = 109.35 degrees . Matthews volume analysis indicated that the crystals contained a half-tetramer in the asymmetric unit.
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International Nuclear Information System (INIS)
Santacruz, C. P.; Balan, A.; Ferreira, L. C. S.; Barbosa, J. A. R. G.
2006-01-01
The molybdate-binding protein (ModA) from X. axonopodis pv. citri was crystallized with sodium molybdate in the presence of PEG or sulfate. The crystal diffracted to a maximum resolution of 1.7 Å and belongs to the orthorhombic space group C222 1, with unit-cell parameters a = 68.15, b = 172.14, c = 112.04 Å. Xanthomonas axonopodis pv. citri ModA protein is the ABC periplasmic binding component responsible for the capture of molybdate. The protein was crystallized with sodium molybdate using the hanging-drop vapour-diffusion method in the presence of PEG or sulfate. X-ray diffraction data were collected to a maximum resolution of 1.7 Å using synchrotron radiation. The crystal belongs to the orthorhombic space group C222 1 , with unit-cell parameters a = 68.15, b = 172.14, c = 112.04 Å. The crystal structure was solved by molecular-replacement methods and structure refinement is in progress
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International Nuclear Information System (INIS)
Iwaki, Jun; Suzuki, Ryuichiro; Fujimoto, Zui; Momma, Mitsuru; Kuno, Atsushi; Hasegawa, Tsunemi
2005-01-01
Tyrosyl-tRNA synthetase from the hyperthermophilic archaeon A. pernix K1 was cloned, purified and crystallized. The crystals belonged to the tetragonal space group P4 3 2 1 2, with unit-cell parameters a = b = 66.1, c = 196.2 Å, and diffracted to beyond 2.15 Å resolution at 100 K. Hyperthermophilic archaeal tyrosyl-tRNA synthetase from Aeropyrum pernix K1 was cloned and overexpressed in Escherichia coli. The expressed protein was purified by Cibacron Blue affinity chromatography following heat treatment at 363 K. Crystals suitable for X-ray diffraction studies were obtained under optimized crystallization conditions in the presence of 1.5 M ammonium sulfate using the hanging-drop vapour-diffusion method. The crystals belonged to the tetragonal space group P4 3 2 1 2, with unit-cell parameters a = b = 66.1, c = 196.2 Å, and diffracted to beyond 2.15 Å resolution at 100 K
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Energy Technology Data Exchange (ETDEWEB)
Santacruz, C. P.; Balan, A.; Ferreira, L. C. S. [Departamento de Microbiologia, Instituto de Ciências Biomédicas II, Universidade de São Paulo, São Paulo, SP (Brazil); Barbosa, J. A. R. G., E-mail: joao@lnls.br [Centro de Biologia Molecular e Estrutural (CeBiMe), Laboratório Nacional de Luz Síncrotron (LNLS), CP 6192, Campinas, SP 13084-971 (Brazil); Departamento de Microbiologia, Instituto de Ciências Biomédicas II, Universidade de São Paulo, São Paulo, SP (Brazil)
2006-03-01
The molybdate-binding protein (ModA) from X. axonopodis pv. citri was crystallized with sodium molybdate in the presence of PEG or sulfate. The crystal diffracted to a maximum resolution of 1.7 Å and belongs to the orthorhombic space group C222{sub 1,} with unit-cell parameters a = 68.15, b = 172.14, c = 112.04 Å. Xanthomonas axonopodis pv. citri ModA protein is the ABC periplasmic binding component responsible for the capture of molybdate. The protein was crystallized with sodium molybdate using the hanging-drop vapour-diffusion method in the presence of PEG or sulfate. X-ray diffraction data were collected to a maximum resolution of 1.7 Å using synchrotron radiation. The crystal belongs to the orthorhombic space group C222{sub 1}, with unit-cell parameters a = 68.15, b = 172.14, c = 112.04 Å. The crystal structure was solved by molecular-replacement methods and structure refinement is in progress.
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Kim, Hyung-Wook; Han, Byung Woo; Yoon, Hye-Jin; Yang, Jin Kuk; Lee, Byung Il; Lee, Hyung Ho; Ahn, Hyung Jun; Suh, Se Won
2002-10-01
Peptide deformylase (PDF) from the pathogenic bacterium Pseudomonas aeruginosa has been overexpressed in Escherichia coli and crystallized in the presence of its inhibitor actinonin at 297 K using polyethylene glycol (PEG) 4000 as a precipitant. The diffraction limit and the spot shape of the crystals could be slightly improved by the crystal annealing/dehydration procedure. X-ray diffraction data to 1.85 A have been collected using synchrotron radiation. The crystal belongs to the orthorhombic space group P2(1)2(1)2(1), with unit-cell parameters a = 68.75, b = 74.46, c = 77.18 A. The asymmetric unit contains two subunits of peptide deformylase, with a corresponding crystal volume per protein mass (V(M)) of 2.45 A(3) Da(-1) and a solvent content of 49.8%.
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Design, synthesis and crystallization of a novel glucagon analog as a therapeutic agent
Energy Technology Data Exchange (ETDEWEB)
Li, Pengyun; Rogers, Tanya; Smiley, David; DiMarchi, Richard D.; Zhang, Faming, E-mail: fzhang@indiana.edu [Department of Chemistry and Biochemistry Program, Indiana University, Bloomington, Indiana 47405 (United States)
2007-07-01
The synthesis and crystallization of glucagon-Cex are reported. Glucagon and glucagon-like peptide 1 (GLP-1) are drugs or drug candidates for the treatment of metabolic diseases such as diabetes and obesity. The native hormones have pharmacological deficiencies such as short half-life and poor solubility. A novel glucagon receptor agonist named glucagon-Cex has been designed, synthesized and crystallized. This peptide was highly soluble under physiological conditions and crystallized readily. The crystal diffracted X-rays to 2.2 Å resolution and the diffraction was consistent with space group P23, with unit-cell parameters a = b = c = 48.20 Å, α = β = γ = 90.0°. The crystals were suitable for a full structural determination to reveal the conformational differences between glucagon-Cex and the native hormone.
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Matrix Gla Protein is Involved in Crystal Formation in Kidney of Hyperoxaluric Rats
Directory of Open Access Journals (Sweden)
Xiuli Lu
2013-02-01
Full Text Available Background: Matrix Gla protein (MGP is a molecular determinant regulating vascular calcification of the extracellular matrix. However, it is still unclear how MGP may be invovled in crystal formation in the kidney of hyperoxaluric rats. Methods: Male Sprague-Dawley rats were divided into the hyperoxaluric group and control group. Hyperoxaluric rats were administrated by 0.75% ethylene glycol (EG for up to 8 weeks. Renal MGP expression was detected by the standard avidin-biotin complex (ABC method. Renal crystal deposition was observed by a polarizing microscope. Total RNA and protein from the rat kidney tissue were extracted. The levels of MGP mRNA and protein expression were analyzed by the real-time polymerase chain reaction (RT-PCR and Western blot. Results: Hyperoxaluria was induced successfully in rats. The MGP was polarly distributed, on the apical membrane of renal tubular epithelial cells, and was found in the ascending thick limbs of Henle's loop (cTAL and the distal convoluted tubule (DCT in hyperoxaluric rats, its expression however, was present in the medullary collecting duct (MCD in stone-forming rats. Crystals with multilaminated structure formed in the injurious renal tubules with lack of MGP expression.MGP mRNA expression was significantly upregulated by the crystals' stimulations. Conclusion: Our results suggested that the MGP was involved in crystals formation by the continuous expression, distributing it polarly in the renal tubular cells and binding directly to the crystals.
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Effects of impurities on crystal growth in fructose crystallization
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.
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International Nuclear Information System (INIS)
Domenech, J.; Baker, P. J.; Sedelnikova, S. E.; Rodgers, H. F.; Rice, D. W.; Ferrer, J.
2009-01-01
The d-2-hydroxyacid dehydrogenase from Haloferax mediterranei has been crystallized in two different forms. Diffraction data have been collected to 1.9 Å resolution for the non-productive ternary complex of the enzyme and to 2.7 Å for the selenomethionyl derivative. d-2-Hydroxyacid dehydrogenase (D2-HDH) from Haloferax mediterranei has been overexpressed in Escherichia coli, solubilized in 8 M urea and refolded by rapid dilution. The protein was purified and crystallized by the hanging-drop vapour-diffusion method using ammonium sulfate or PEG 3350 as precipitant. Two crystal forms representing the free enzyme and the nonproductive ternary complex with α-ketohexanoic acid and NAD + grew under these conditions. Crystals of form I diffracted to beyond 3.0 Å resolution and belonged to the monoclinic space group P2 1 , with unit-cell parameters a = 66.0, b = 119.6, c = 86.2 Å, β = 96.3°. Crystals of form II diffracted to beyond 2.0 Å resolution and belonged to the triclinic space group P1, with unit-cell parameters a = 66.5, b = 75.2, c = 77.6 Å, α = 109.1, β = 107.5, γ = 95.9°. The calculated values for V M and analysis of the self-rotation and self-Patterson functions suggest that the asymmetric unit in both crystal forms contains two dimers related by pseudo-translational symmetry
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Chhana, Ashika; Callon, Karen E; Dray, Michael; Pool, Bregina; Naot, Dorit; Gamble, Greg D; Coleman, Brendan; McCarthy, Geraldine; McQueen, Fiona M; Cornish, Jillian; Dalbeth, Nicola
2014-09-01
Advanced imaging studies have demonstrated that urate deposition in periarticular structures, such as tendons, is common in gout. The aim of this study was to investigate the effects of monosodium urate monohydrate (MSU) crystals on tenocyte viability and function. The histological appearance of tendons in joints affected by advanced gout was examined using light microscopy. In vitro, colorimetric assays and flow cytometry were used to assess cell viability in primary rat and primary human tenocytes cultured with MSU crystals. Real-time PCR was used to determine changes in the relative mRNA expression levels of tendon-related genes, and Sirius red staining was used to measure changes in collagen deposition in primary rat tenocytes. In joint samples from patients with gout, MSU crystals were identified within the tendon, adjacent to and invading into tendon, and at the enthesis. MSU crystals reduced tenocyte viability in a dose-dependent manner. MSU crystals decreased the mRNA expression of tendon collagens, matrix proteins and degradative enzymes and reduced collagen protein deposition by tenocytes. These data indicate that MSU crystals directly interact with tenocytes to reduce cell viability and function. These interactions may contribute to tendon damage in people with advanced gout. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.
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Simulations of the polarisation-dependent Raman intensity of β-carotene in photosystem II crystals
International Nuclear Information System (INIS)
Brose, K.; Zouni, A.; Müh, F.; Mroginski, M.A.; Maultzsch, J.
2013-01-01
Highlights: • First polarisation-dependent Raman spectroscopy on photosystem II crystals. • Orientation-dependent Raman intensity simulations for di- and monomeric crystals. • Simulations account for all β-carotenes (β-Car) in the unit cell for the first time. • Prediction for identificationy of the β-Car cation in side-path electron transport. - Abstract: In order to clarify possibilities to identify the β-carotene (β-Car) radicals in secondary electron transfer (ET) reactions in the photosystem II core complex (PSIIcc), Raman intensities of all 96 β-Car cofactors in the unit cell of PSIIcc-dimer crystals as a function of polarisation and crystal orientation were simulated based on the 2.9 Å resolution structure. The Raman-active symmetry A g in the C 2h group is assigned to the β-Car modes ν 66 and ν 67 . Simulations are in agreement with experiment for off-resonant excitation at 1064 nm. Resonant measurements at 476 and 532 nm excitation can not be explained, which is attributed to mode mixing in the excited state and the existence of different spectral pools. The identity of the β-Car oxidised in secondary ET can not be resolved by Raman measurements on PSIIcc-dimer crystals. Additional simulations show that similar measurements on PSIIcc-monomer crystals could provide a possible route to solve this issue
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Simulations of the polarisation-dependent Raman intensity of β-carotene in photosystem II crystals
Energy Technology Data Exchange (ETDEWEB)
Brose, K., E-mail: katharina.brose@gmx.net [Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin (Germany); Zouni, A. [Institut für Chemie, Max-Volmer-Laboratorium, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Müh, F. [Institut für Theoretische Physik, Johannes Kepler Universität Linz, Altenberger Straße 69, 4040 Linz (Austria); Mroginski, M.A. [Institut für Chemie, Max-Volmer-Laboratorium, Technische Universität Berlin, Straße des 17. Juni 135, 10623 Berlin (Germany); Maultzsch, J. [Institut für Festkörperphysik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin (Germany)
2013-06-03
Highlights: • First polarisation-dependent Raman spectroscopy on photosystem II crystals. • Orientation-dependent Raman intensity simulations for di- and monomeric crystals. • Simulations account for all β-carotenes (β-Car) in the unit cell for the first time. • Prediction for identificationy of the β-Car cation in side-path electron transport. - Abstract: In order to clarify possibilities to identify the β-carotene (β-Car) radicals in secondary electron transfer (ET) reactions in the photosystem II core complex (PSIIcc), Raman intensities of all 96 β-Car cofactors in the unit cell of PSIIcc-dimer crystals as a function of polarisation and crystal orientation were simulated based on the 2.9 Å resolution structure. The Raman-active symmetry A{sub g} in the C{sub 2h} group is assigned to the β-Car modes ν{sub 66} and ν{sub 67}. Simulations are in agreement with experiment for off-resonant excitation at 1064 nm. Resonant measurements at 476 and 532 nm excitation can not be explained, which is attributed to mode mixing in the excited state and the existence of different spectral pools. The identity of the β-Car oxidised in secondary ET can not be resolved by Raman measurements on PSIIcc-dimer crystals. Additional simulations show that similar measurements on PSIIcc-monomer crystals could provide a possible route to solve this issue.
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Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Shekhah, Osama; Swaidan, Raja; Belmabkhout, Youssef; du Plessis, Marike; Jacobs, Tia; Barbour, Leonard J.; Pinnau, Ingo; Eddaoudi, Mohamed
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Kuhn, Paul-Steffen; Cremer, Laura; Gavriluta, Anatolie; Jovanović, Katarina K.; Filipović, Lana; Hummer, Alfred A.; Bü chel, Gabriel E.; Dojčinović, Biljana P.; Meier, Samuel M.; Rompel, Annette; Radulović, Siniša; Tommasino, Jean Bernard; Luneau, Dominique; Arion, Vladimir B.
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Queval, Pierre; Jahier, Claire; Rouen, Mathieu; Artur, Isabelle; Legeay, Jean-Christophe; Falivene, Laura; Toupet, loic; Cré visy, Christophe; Cavallo, Luigi; Basle, Olivier; Mauduit, Marc
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Queval, Pierre
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Al-Masri, H.T.; Emwas, Abdul-Hamid M.; Al-Talla, Zeyad; Al Kordi, Mohamed
2012-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1025419: Experimental Crystal Structure Determination : bisthieno[3,2-b:2',3'-d]thiophene
Castañ eda, Raú l; Khrustalev, Victor N.; Fonari, Alexandr; Bredas, Jean-Luc; Getmanenko, Yulia A.; Timofeeva, Tatiana V.
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1015953: Experimental Crystal Structure Determination : 1,3,6,8-tetrakis(4-phenoxyphenyl)pyrene
El-Assaad, Tarek H.; Auer, Manuel; Castañ eda, Raul; Hallal, Kassem M.; Jradi, Fadi M.; Mosca, Lorenzo; Khnayzer, Rony S.; Patra, Digambara; Timofeeva, Tatiana V.; Bredas, Jean-Luc; List-Kratochvil, Emil J. W.; Wex, Brigitte; Kaafarani, Bilal R.
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1011330: Experimental Crystal Structure Determination : 1,3,6,8-tetrakis(4-fluorophenyl)pyrene
El-Assaad, Tarek H.; Auer, Manuel; Castañ eda, Raul; Hallal, Kassem M.; Jradi, Fadi M.; Mosca, Lorenzo; Khnayzer, Rony S.; Patra, Digambara; Timofeeva, Tatiana V.; Bredas, Jean-Luc; List-Kratochvil, Emil J. W.; Wex, Brigitte; Kaafarani, Bilal R.
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Urbina-Blanco, C.A.
2014-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Energy Technology Data Exchange (ETDEWEB)
Sharma, Nandini, E-mail: nandini-sharma@merck.com; Toney, Jeffrey H.; Fitzgerald, Paula M. D.
2005-02-01
Crystallization and preliminary X-ray analysis of the CphA metallo-β-lactamase from A. hydrophilia are described. The crystals belonged to space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 40.75, b = 42.05, c = 128.88 Å, and diffract to 1.8 Å.
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CCDC 1436717: Experimental Crystal Structure Determination : 2-bromo-4,5-diiodo-1,3-thiazole
Shi, Qinqin
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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CCDC 1436716: Experimental Crystal Structure Determination : 5-fluoro-4-iodo-2,1,3-benzothiadiazole
Shi, Qinqin
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Wang, Xinbo
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Khanderi, Jayaprakash
2015-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Al Kordi, Mohamed
2017-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Weng, Zhiqiang
2013-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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Huang, Yangjie
2016-01-01
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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International Nuclear Information System (INIS)
Ragunathan, Preethi; Spellerberg, Barbara; Ponnuraj, Karthe
2009-01-01
Laminin-binding protein from S. agalactiae was expressed, purified and crystallized and X-ray diffraction data were collected to 2.5 Å resolution. Laminin-binding protein (Lmb), a surface-exposed lipoprotein from Streptococcus agalactiae (group B streptococcus), mediates attachment to human laminin and plays a crucial role in the adhesion/invasion of eukaryotic host cells. However, the structural basis of laminin binding still remains unclear. In the context of detailed structural analysis, the lmb gene has been cloned, expressed in Escherichia coli, purified and crystallized. The crystals diffracted to a resolution of 2.5 Å and belonged to the monoclinic space group P2 1 , with unit-cell parameters a = 56.63, b = 70.60, c = 75.37 Å, β = 96.77°
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International Nuclear Information System (INIS)
Gómez Barroso, J. A.; Pereira, H.; Miranda, M.; Pereira, C.; Garratt, R. C.; Aguilar, C. F.
2010-01-01
T. cruzi TcNDPK1 was overexpressed in Escherichia coli as an N-terminally poly-His-tagged fusion protein and crystallized. The flagellated protozoan parasite Trypanosoma cruzi is the aetiological agent of Chagas disease. Nucleoside diphosphate kinases (NDPKs) are enzymes that are involved in energy management and nucleoside balance in the cell. T. cruzi TcNDPK1, a canonical isoform, was overexpressed in Escherichia coli as an N-terminally poly-His-tagged fusion protein and crystallized. Crystals grew after 72 h in 0.2 M MgCl 2 , 20% PEG 3350. Data were collected to 3.5 Å resolution using synchrotron X-ray radiation at the National Synchrotron Light Laboratory (Campinas, Brazil). The crystals belonged to the trigonal space group P3, with unit-cell parameters a = b = 127.84, c = 275.49 Å. Structure determination is under way and will provide relevant information that may lead to the first step in rational drug design for the treatment of Chagas disease
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Chen, L. Y.; Loferski, J. J.
1975-01-01
Theoretical and experimental aspects are summarized for single crystal, silicon photovoltaic devices made by forming a grating pattern of p/n junctions on the light receiving surface of the base crystal. Based on the general semiconductor equations, a mathematical description is presented for the photovoltaic properties of such grating-like structures in a two dimensional form. The resulting second order elliptical equation is solved by computer modeling to give solutions for various, reasonable, initial values of bulk resistivity, excess carrier concentration, and surface recombination velocity. The validity of the computer model is established by comparison with p/n devices produced by alloying an aluminum grating pattern into the surface of n-type silicon wafers. Current voltage characteristics and spectral response curves are presented for cells of this type constructed on wafers of different resistivities and orientations.
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Crystallization and preliminary X-ray analysis of S-ribosylhomocysteinase from Streptococcus mutans
International Nuclear Information System (INIS)
Li, Hui; Zhao, Hongyan; Zhu, Laikuan; Hong, Lihua; Zhang, Hong; Lin, Fanjing; Xu, Chunyan; Li, Shentao; Zhang, Zhimin
2012-01-01
S-Ribosylhomocysteinase (LuxS) encoded by the LuxS gene from Streptococcus mutans was solubly expressed in Escherichia coli, purified and crystallized. Diffraction by the crystal extended to 2.4 Å resolution. S-Ribosylhomocysteinase (LuxS) encoded by the luxS gene from Streptococcus mutans plays a crucial role in the quorum-sensing system. LuxS was solubly expressed in Escherichia coli with high yield. The purity of the purified target protein, which was identified by SDS–PAGE and MALDI–TOF MS analysis, was >95%. The protein was crystallized using the hanging-drop vapour-diffusion method with PEG 3350 as the primary precipitant. X-ray diffraction data were collected at Beijing Synchrotron Radiation Facility (BSRF). Diffraction by the crystal extended to 2.4 Å resolution and the crystal belonged to space group C222 1 , with unit-cell parameters a = 55.3, b = 148.7, c = 82.8 Å
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Studies on various properties of pure and Li-doped Barium Hydrogen Phosphate (BHP) single crystals
Energy Technology Data Exchange (ETDEWEB)
Nallamuthu, D. [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628216, Tamil Nadu (India); Selvarajan, P., E-mail: pselvarajanphy@yahoo.co.i [Department of Physics, Aditanar College of Arts and Science, Tiruchendur 628216, Tamil Nadu (India); Freeda, T.H. [Physics Research Centre, S.T. Hindu College, Nagercoil 629002 (India)
2010-12-15
Single crystals of pure and Li-doped barium hydrogen phosphate (BHP) were grown by solution method with gel technique. Various properties of the harvested crystals were studied by carrying out single crystal and powder XRD, FTIR, TG/DTA, microhardness and dielectric studies. Atomic absorption study was carried out for Li-doped BHP crystal to check the presence of Li dopants. Unit cell dimensions and diffracting planes of the grown crystals have been identified from XRD studies. Functional groups of the title compounds have been identified from FTIR studies. Density of the grown crystals was calculated using the XRD data. Thermal stability of the samples was checked by TG/DTA studies. Mechanical and dielectric characterizations of the harvested pure and Li-doped BHP crystals reveal the mechanical strength and ferroelectric transition. The observed results are reported and discussed.
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Energy Technology Data Exchange (ETDEWEB)
Zhu, Liang Cong
2009-06-08
Proteins are bio-macromolecules consisting of basic 20 amino acids and have distinct three-dimensional folds. They are essential parts of organisms and participate in every process within cells. Proteins are crucial for human life, and each protein within the body has a specific function, such as antibodies, contractile proteins, enzymes, hormonal proteins, structural proteins, storage proteins and transport proteins. Determining three-dimensional structure of a protein can help researchers discover the remarkable protein folding, binding site, conformation and etc, in order to understand well of protein interaction and aid for possible drug design. The research on protein structure by X-ray protein crystallography carried by Li-Wei Hung's research group in the Physical Bioscience Division at Lawrence Berkeley National Laboratory (LBNL) is focusing on protein crystallography. The research in this lab is in the process of from crystallizing the proteins to determining the three dimensional crystal structures of proteins. Most protein targets are selected from Mycobacterium Tuberculosis. TB (Tuberculosis) is a possible fatal infectious disease. By studying TB target protein can help discover antituberculer drugs, and find treatment for TB. The high-throughput mode of crystallization, crystal harvesting, crystal screening and data collection are applied to the research pipeline (Figure 1). The X-ray diffraction data by protein crystals can be processed and analyzed to result in a three dimensional representation of electron density, producing a detailed model of protein structure. Rv0731c is a conserved hypothetical protein with unknown function from Mycobacterium Tuberculosis. This paper is going to report the crystallization process and brief structure information of Rv0731c.
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DEFF Research Database (Denmark)
Løvgreen, Monika Nøhr; Løvgreen, Mikkel; Christensen, Hans Erik Mølager
2009-01-01
MyCrystals is designed as a user-friendly program to display crystal images and list crystallization conditions. The crystallization conditions entry fields can be customized to suit the experiments. MyCrystals is also able to sort the images by the entered crystallization conditions, which...
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International Nuclear Information System (INIS)
Supangat, Supangat; An, Young Jun; Sun, Younguk; Kwon, Suk-Tae; Cha, Sun-Shin
2010-01-01
A recombinant multiple cofactor-dependent DNA ligase from S. zilligii has been purified and crystallized. X-ray diffraction data were collected to 2.9 Å resolution and the crystals belonged to space group P1. A recombinant DNA ligase from Sulfophobococcus zilligii that shows multiple cofactor specificity (ATP, ADP and GTP) was expressed in Escherichia coli and purified under reducing conditions. Crystals were obtained by the microbatch crystallization method at 295 K in a drop containing 1 µl protein solution (10 mg ml −1 ) and an equal volume of mother liquor [0.1 M HEPES pH 7.5, 10%(w/v) polyethylene glycol 10 000]. A data set was collected to 2.9 Å resolution using synchrotron radiation. The crystals belonged to space group P1, with unit-cell parameters a = 63.7, b = 77.1, c = 77.8 Å, α = 83.4, β = 82.4, γ = 74.6°. Assuming the presence of two molecules in the unit cell, the solvent content was estimated to be about 53.4%
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Three-Dimentional Structures of Autophosphorylation Complexes in Crystals of Protein Kinases
Dumbrack, Roland
2016-01-01
Protein kinase autophosphorylation is a common regulatory mechanism in cell signaling pathways. Several autophosphorylation complexes have been identified in crystals of protein kinases, with a known serine, threonine, or tyrosine
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Optical conoscopy of distorted uniaxial liquid crystals: computer simulation and experiment
Yu.A.Nastishin; O.B.Dovgyi; O.G.Vlokh
2001-01-01
We propose an algorithm to compute the conoscopic pattern for distorted uniaxial liquid crystal cells. The computed conoscopic figures for several cells (homeotropic, planar, twist, hybrid, hybrid under an external field) are compared to the corresponding experimental conoscopic patterns. We demonstrate that conoscopy can be used for the characterization of the distorted nematic cells with the director deformations which can not be detected and unambigously characterized by direct microscopy ...
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Energy Technology Data Exchange (ETDEWEB)
Maruyama, Daisuke; Nishitani, Yuichi; Nonaka, Tsuyoshi; Kita, Akiko [Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502 (Japan); Fukami, Takaaki A.; Mio, Toshiyuki; Yamada-Okabe, Hisafumi [Kamakura Research Laboratory, Chugai Pharmaceutical Co. Ltd, 200 Kajiwara, Kamakura, Kanagawa 247-8530 (Japan); Yamada-Okabe, Toshiko [Department of Hygiene, School of Medicine, Yokohama City University, 3-9 Fukuura, Kanazawa, Yokohama 236-0004 (Japan); Miki, Kunio, E-mail: miki@kuchem.kyoto-u.ac.jp [Department of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502 (Japan); RIKEN SPring-8 Center at Harima Institute, Koto 1-1-1, Sayocho, Sayo-gun, Hyogo 679-5148 (Japan)
2006-12-01
UDP-N-acetylglucosamine pyrophosphorylase was purified and crystallized and X-ray diffraction data were collected to 2.3 Å resolution. UDP-N-acetylglucosamine pyrophosphorylase (UAP) is an essential enzyme in the synthesis of UDP-N-acetylglucosamine. UAP from Candida albicans was purified and crystallized by the sitting-drop vapour-diffusion method. The crystals of the substrate and product complexes both diffract X-rays to beyond 2.3 Å resolution using synchrotron radiation. The crystals of the substrate complex belong to the triclinic space group P1, with unit-cell parameters a = 47.77, b = 62.89, c = 90.60 Å, α = 90.01, β = 97.72, γ = 92.88°, whereas those of the product complex belong to the orthorhombic space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 61.95, b = 90.87, c = 94.88 Å.
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Tunable Topological Phononic Crystals
Chen, Zeguo
2016-05-27
Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.
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Tunable Topological Phononic Crystals
Chen, Zeguo; Wu, Ying
2016-01-01
Topological insulators first observed in electronic systems have inspired many analogues in photonic and phononic crystals in which remarkable one-way propagation edge states are supported by topologically nontrivial band gaps. Such band gaps can be achieved by breaking the time-reversal symmetry to lift the degeneracy associated with Dirac cones at the corners of the Brillouin zone. Here, we report on our construction of a phononic crystal exhibiting a Dirac-like cone in the Brillouin zone center. We demonstrate that simultaneously breaking the time-reversal symmetry and altering the geometric size of the unit cell result in a topological transition that we verify by the Chern number calculation and edge-mode analysis. We develop a complete model based on the tight binding to uncover the physical mechanisms of the topological transition. Both the model and numerical simulations show that the topology of the band gap is tunable by varying both the velocity field and the geometric size; such tunability may dramatically enrich the design and use of acoustic topological insulators.
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Crystal structure and magnetic susceptibility of UOSe single crystals
International Nuclear Information System (INIS)
Kaczorowski, D.; Muenster Univ.; Poettgen, R.; Jeitschko, W.; Gajek, Z.; Zygmunt, A.
1993-01-01
The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T N =100±2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author)
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Crystal structure and magnetic susceptibility of UOSe single crystals
Energy Technology Data Exchange (ETDEWEB)
Kaczorowski, D. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Poettgen, R.; Jeitschko, W. (Muenster Univ. (Germany). Anorganisch-Chemisches Inst.); Gajek, Z.; Zygmunt, A. (Polish Academy of Sciences, Wroclaw (Poland). Inst. for Low Temperature and Structure Research)
1993-01-01
The crystal structure and magnetic susceptibility behaviour of UOSe single crystals have been studied. UOSe crystalizes in the tetragonal PbFC1-type structure (space group P4/nmm) with the lattice parameters: a = 390.38(5) pm and c = 698.05(9) pm. It orders antiferromagnetically at T[sub N]=100[+-]2 K and exhibits a very strong anisotropy in the susceptibility vs temperature variation. The magnetic and thermodynamic properties of UOSe are successfully interpreted in the framework of a perturbative ab initio crystal field approach. (Author).
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Cloning, expression, and crystallization of Cpn60 proteins from Thermococcus litoralis.
Osipiuk, J; Sriram, M; Mai, X; Adams, M W; Joachimiak, A
2000-01-01
Two genes of the extreme thermophilic archaeon Thermococcus litoralis homologous to those that code for Cpn60 chaperonins were cloned and expressed in Escherichia coli. Each of the Cpn60 subunits as well as the entire Cpn60 complex crystallize in a variety of morphological forms. The best crystals diffract to 3.6 A resolution at room temperature and belong to the space group 1422 with unit cell parameters a = b = 193.5 A, c = 204.2 A.
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Growth and study of mixed crystals of Ca–Cd iodate
Indian Academy of Sciences (India)
Wintec
A variety of crystals required for the purpose of research and application can be ... produced and the simplicity of the process (Armington .... 4 weeks vibration involving metal, iodine and oxygen atoms are ... Calculated unit cell parameters.
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Sun, Xin-Yuan; Ouyang, Jian-Ming; Gan, Qiong-Zhi; Liu, Ai-Jie
2016-11-01
Urinary crystals in normal and kidney stone patients often differ in crystal sizes and surface structures, but the effects of different crystal properties on renal tubular epithelial cells remain unclear. This study aimed to compare the cytotoxicity of micron/nano-calcium oxalate monohydrate (COM) crystals with sizes of 50 nm, 200 nm, 1 μm, 3 μm, and 10 μm to African green monkey renal epithelial (Vero) cells, to reveal the effect of crystal size and surface structure on cell injury, and to investigate the pathological mechanism of calcium oxalate kidney stones. Cell viability, cellular biochemical parameters, and internalized crystal amount in Vero cells were closely associated with the size of COM crystals. At the same concentration (200 μg/mL), COM-1 μm induced the most serious injury to Vero cells and caused the most significant change to cellular biochemical parameters, which were related to the specific porous structure and highest internalized amount in Vero cells. By contrast, COM-50 nm and COM-200 nm crystals lost their small size effect because of serious aggregation and weakened their toxicity to cells. COM-3 μm and COM-10 μm crystals were too large for cells to completely internalize; these crystals also exhibited a low specific surface area and thus weakened their toxicity. The excessive expression of intracellular ROS and reduction of the free-radical scavenger SOD were the main reasons for cell injury and eventually caused necrotic cell death. Crystal size, surface structure, aggregation, and internalization amount were closely related to the cytotoxicity of COM crystals.
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Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal
Energy Technology Data Exchange (ETDEWEB)
Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)
2016-05-06
Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.
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Energy Technology Data Exchange (ETDEWEB)
Lu, Yong-Zhi; Sheng, Yu [Institute for Nanobiomedical Technology and Membrane Biology, West China Hospital, Sichuan University, Chengdu 610065, Sichuan (China); Li, Lan-Fen [National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Sciences, Peking University, Beijing 100871 (China); Tang, De-Wei [Institute for Nanobiomedical Technology and Membrane Biology, West China Hospital, Sichuan University, Chengdu 610065, Sichuan (China); Liu, Xiang-Yu [National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Sciences, Peking University, Beijing 100871 (China); Zhao, Xiaojun, E-mail: zhaoxj@scu.edu.cn [Institute for Nanobiomedical Technology and Membrane Biology, West China Hospital, Sichuan University, Chengdu 610065, Sichuan (China); Liang, Yu-He, E-mail: zhaoxj@scu.edu.cn; Su, Xiao-Dong [National Laboratory of Protein Engineering and Plant Genetic Engineering, College of Life Sciences, Peking University, Beijing 100871 (China); Institute for Nanobiomedical Technology and Membrane Biology, West China Hospital, Sichuan University, Chengdu 610065, Sichuan (China)
2007-09-01
A potential target for antibiotic drug design, d-alanine-d-alanine ligase from S. mutans, was expressed in E. coli, purified and crystallized. Diffraction data were collected to 2.4 Å resolution. d-Alanine-d-alanine ligase is encoded by the gene ddl (SMU-599) in Streptococcus mutans. This ligase plays a very important role in cell-wall biosynthesis and may be a potential target for drug design. To study the structure and function of this ligase, the gene ddl was amplified from S. mutans genomic DNA and cloned into the expression vector pET28a. The protein was expressed in soluble form in Escherichia coli strain BL21 (DE3). Homogeneous protein was obtained using a two-step procedure consisting of Ni{sup 2+}-chelating and size-exclusion chromatography. Purified protein was crystallized and the cube-shaped crystal diffracted to 2.4 Å. The crystal belongs to space group P3{sub 1}21 or P3{sub 2}21, with unit-cell parameters a = b = 79.50, c = 108.97 Å. There is one molecule per asymmetric unit.
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International Nuclear Information System (INIS)
Lu, Yong-Zhi; Sheng, Yu; Li, Lan-Fen; Tang, De-Wei; Liu, Xiang-Yu; Zhao, Xiaojun; Liang, Yu-He; Su, Xiao-Dong
2007-01-01
A potential target for antibiotic drug design, d-alanine-d-alanine ligase from S. mutans, was expressed in E. coli, purified and crystallized. Diffraction data were collected to 2.4 Å resolution. d-Alanine-d-alanine ligase is encoded by the gene ddl (SMU-599) in Streptococcus mutans. This ligase plays a very important role in cell-wall biosynthesis and may be a potential target for drug design. To study the structure and function of this ligase, the gene ddl was amplified from S. mutans genomic DNA and cloned into the expression vector pET28a. The protein was expressed in soluble form in Escherichia coli strain BL21 (DE3). Homogeneous protein was obtained using a two-step procedure consisting of Ni 2+ -chelating and size-exclusion chromatography. Purified protein was crystallized and the cube-shaped crystal diffracted to 2.4 Å. The crystal belongs to space group P3 1 21 or P3 2 21, with unit-cell parameters a = b = 79.50, c = 108.97 Å. There is one molecule per asymmetric unit
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International Nuclear Information System (INIS)
Cho, Ching-Chang; Luo, Ching-Wei; Hsu, Chun-Hua
2008-01-01
PAT, an acetyltransferase from the archaeon S. solfataricus that specifically acetylates the chromatin protein Alba, was expressed, purified and crystallized. PAT is an acetyltransferase from the archaeon Sulfolobus solfataricus that specifically acetylates the chromatin protein Alba. The enzyme was expressed, purified and subsequently crystallized using the sitting-drop vapour-diffusion technique. Native diffraction data were collected to 1.70 Å resolution on the BL13C1 beamline of NSRRC from a flash-frozen crystal at 100 K. The crystals belonged to space group P2 1 2 1 2 1 , with unit-cell parameters a = 44.30, b = 46.59, c = 68.39 Å
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Directory of Open Access Journals (Sweden)
S. Reena Devi
2017-06-01
Full Text Available Organic single crystal of 2-aminopyridinium 2,4-dinitrophenolate single crystal was grown by slow evaporation technique. The cell parameters and space group (P were determined from single X-ray diffraction analysis. HRXRD studies ascertained the crystalline quality. UV-Visible and PL spectral studies revealed the emission in red region, transparency (75% cutoff wavelength around 440 nm respectively. The laser damage threshold of grown crystal was estimated by using Nd:YAG laser beam and these results were mutually related with specific heat capacity of the grown crystal. The third-order nonlinear optical parameters were estimated by Z-scan technique which is useful for optical applications.
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Crystallization of the Nonameric Small Terminase Subunit of Bacteriophage P22
Energy Technology Data Exchange (ETDEWEB)
A Roy; A Bhardwaj; G Cingolani
2011-12-31
The packaging of viral genomes into preformed empty procapsids is powered by an ATP-dependent genome-translocating motor. This molecular machine is formed by a heterodimer consisting of large terminase (L-terminase) and small terminase (S-terminase) subunits, which is assembled into a complex of unknown stoichiometry, and a dodecameric portal protein. There is considerable confusion in the literature regarding the biologically relevant oligomeric state of terminases, which, like portal proteins, form ring-like structures. The number of subunits in a hollow oligomeric protein defines the internal diameter of the central channel and the ability to fit DNA inside. Thus, knowledge of the exact stoichiometry of terminases is critical to decipher the mechanisms of terminase-dependent DNA translocation. Here, the gene encoding bacteriophage P22 S-terminase in Escherichia coli has been overexpressed and the protein purified under native conditions. In the absence of detergents and/or denaturants that may cause disassembly of the native oligomer and formation of aberrant rings, it was found that P22 S-terminase assembles into a concentration-independent nonamer of {approx}168 kDa. Nonameric S-terminase was crystallized in two different crystal forms at neutral pH. Crystal form I belonged to space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 144.2, b = 144.2, c = 145.3 {angstrom}, and diffracted to 3.0 {angstrom} resolution. Crystal form II belonged to space group P2{sub 1}, with unit-cell parameters a = 76.48, b = 100.9, c = 89.95 {angstrom}, {beta} = 93.73{sup o}, and diffracted to 1.75 {angstrom} resolution. Preliminary crystallographic analysis of crystal form II confirms that the S-terminase crystals contain a nonamer in the asymmetric unit and are suitable for high-resolution structure determination.
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Crystallization of the Nonameric Small Terminase Subunit of bacteriophage P22
Energy Technology Data Exchange (ETDEWEB)
A Roy; A Bhardwaj; G Cingoloni
2011-12-31
The packaging of viral genomes into preformed empty procapsids is powered by an ATP-dependent genome-translocating motor. This molecular machine is formed by a heterodimer consisting of large terminase (L-terminase) and small terminase (S-terminase) subunits, which is assembled into a complex of unknown stoichiometry, and a dodecameric portal protein. There is considerable confusion in the literature regarding the biologically relevant oligomeric state of terminases, which, like portal proteins, form ring-like structures. The number of subunits in a hollow oligomeric protein defines the internal diameter of the central channel and the ability to fit DNA inside. Thus, knowledge of the exact stoichiometry of terminases is critical to decipher the mechanisms of terminase-dependent DNA translocation. Here, the gene encoding bacteriophage P22 S-terminase in Escherichia coli has been overexpressed and the protein purified under native conditions. In the absence of detergents and/or denaturants that may cause disassembly of the native oligomer and formation of aberrant rings, it was found that P22 S-terminase assembles into a concentration-independent nonamer of {approx}168 kDa. Nonameric S-terminase was crystallized in two different crystal forms at neutral pH. Crystal form I belonged to space group P2{sub 1}2{sub 1}2, with unit-cell parameters a = 144.2, b = 144.2, c = 145.3 {angstrom}, and diffracted to 3.0 {angstrom} resolution. Crystal form II belonged to space group P2{sub 1}, with unit-cell parameters a = 76.48, b = 100.9, c = 89.95 {angstrom}, {beta} = 93.73{sup o}, and diffracted to 1.75 {angstrom} resolution. Preliminary crystallographic analysis of crystal form II confirms that the S-terminase crystals contain a nonamer in the asymmetric unit and are suitable for high-resolution structure determination.
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Crystallization and preliminary crystallographic analysis of l-asparaginase from Erwinia carotovora
Energy Technology Data Exchange (ETDEWEB)
Wikman, Linnea E. K. [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland); Krasotkina, Julya; Kuchumova, Anastasia; Sokolov, Nikolay N. [Institute for Biomedical Chemistry, Russian Academy of Medical Sciences, 559-B, 10 Pogodinskay St, Moscow 119121 (Russian Federation); Papageorgiou, Anastassios C., E-mail: tassos.papageorgiou@btk.fi [Turku Centre for Biotechnology, University of Turku and Åbo Akademi University, Turku 20521 (Finland)
2005-04-01
Er. carotovoral-asparaginase, a potential antileukaemic agent, has been crystallized. Crystals diffract to 2.6 Å using a rotating-anode source and belong to space group P2{sub 1}, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. Bacterial l-asparaginases have been used as therapeutic agents in the treatment of acute childhood lymphoblastic leukaemia for over 30 y. However, their use is limited owing to the glutaminase activity of the administered enzymes, which results in serious side effects. In contrast, l-asparaginase from Erwinia carotovora exhibits low glutaminase activity at physiological concentrations of l-asparagine and l-glutamine in the blood. Recombinant Er. carotovoral-asparaginase was crystallized in the presence of l-glutamate by the hanging-drop vapour-diffusion method using 10 mg ml{sup −1} purified enzyme, 16–18%(w/v) PEG 3350 and 0.2 M NaF. X-ray diffraction data were collected to 2.6 Å at 293 K using an in-house rotating-anode generator. The crystals belong to the monoclinic P2{sub 1} space group, with unit-cell parameters a = 78.0, b = 112.3, c = 78.7 Å, β = 101.9° and a homotetramer in the crystallographic asymmetric unit. A molecular-replacement solution has been found and refinement is currently in progress. The crystal structure may provide leads towards protein-engineering efforts aimed at safer asparaginase administration in leukaemia treatment.
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Expression, crystallization and preliminary X-ray crystallographic analysis of human agmatinase
Energy Technology Data Exchange (ETDEWEB)
Kim, Kyoung Hoon; Ahn, Hyung Jun; Kim, Do Jin; Lee, Hyung Ho; Ha, Jun-Yong; Kim, Hye-Kyung; Yoon, Hye-Jin; Suh, Se Won, E-mail: sewonsuh@snu.ac.kr [Department of Chemistry, College of Natural Sciences, Seoul National University, Seoul 151-742 (Korea, Republic of)
2005-10-01
Human agmatinase (Ala36–Val352) was overexpressed and crystallized, and X-ray diffraction data were collected to 2.49 Å. Agmatine, which results from the decarboxylation of l-arginine by arginine decarboxylase, is a metabolic intermediate in the biosynthesis of putresine and higher polyamines (spermidine and spermine). Recent studies indicate that agmatine can have several important biochemical effects in humans, ranging from effects on the central nervous system to cell proliferation in cancer and viral replication. Agmatinase catalyses the hydrolysis of agmatine to putresine and urea and is a major target for drug action and development. The human agmatinase gene encodes a 352-residue protein with a putative mitochondrial targeting sequence at the N-terminus. Human agmatinase (residues Ala36–Val352) has been overexpressed as a fusion with both N- and C-terminal purification tags in Escherichia coli and crystallized in the presence of Mn{sup 2+} and 1,6-diaminohexane at 297 K using polyethylene glycol 4000 as a precipitant. X-ray diffraction data were collected at 100 K to 2.49 Å from a flash-frozen crystal. The crystals are tetragonal, belonging to space group P4{sub 2}, with unit-cell parameters a = b = 114.54, c = 125.65 Å, α = β = γ = 90°. Three monomers are likely to be present in the asymmetric unit, giving a crystal volume per protein weight (V{sub M}) of 3.66 Å{sup 3} Da{sup −1} and a solvent content of 66.4%.
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International Nuclear Information System (INIS)
Kim, Bokyung; Park, Ok Kyeung; Bae, Ju Young; Jang, Tae-ho; Yoon, Jong Hwan; Do, Kyoung Hun; Kim, Byung-Gee; Yun, Hyungdon; Park, Hyun Ho
2011-01-01
β-Transaminase from Mesorhizobium sp. strain LUK was crystallized. The crystals were found to belong to the orthorhombic space group C222 1 , with unit-cell parameters a = 90.91, b = 192.17, c = 52.75 Å. The crystals were obtained at 293 K and diffracted to a resolution of 2.5 Å. β-Transaminase (β-TA) catalyzes the transamination reaction between β-aminocarboxylic acids and keto acids. This enzyme is a particularly suitable candidate for use as a biocatalyst for the asymmetric synthesis of enantiochemically pure β-amino acids for pharmaceutical purposes. The β-TA from Mesorhizobium sp. strain LUK (β-TAMs) belongs to a novel class in that it shows β-transaminase activity with a broad and unique substrate specificity. In this study, β-TAMs was overexpressed in Escherichia coli with an engineered C-terminal His tag. β-TAMs was then purified to homogeneity and crystallized at 293 K. X-ray diffraction data were collected to a resolution of 2.5 Å from a crystal that belonged to the orthorhombic space group C222 1 , with unit-cell parameters a = 90.91, b = 192.17, c = 52.75 Å
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Novel Transrotational Solid State Order Discovered by TEM in Crystallizing Amorphous Films
Kolosov, Vladimir
Exotic thin crystals with unexpected transrotational microstructures have been discovered by transmission electron microscopy (TEM) for crystal growth in thin (10-100 nm) amorphous films of different chemical nature (oxides, chalcogenides, metals and alloys) prepared by various methods. Primarily we use our TEM bend contour technique. The unusual phenomenon can be traced in situ in TEM column: dislocation independent regular internal bending of crystal lattice planes in a growing crystal. Such transrotation (unit cell trans lation is complicated by small rotationrealized round an axis lying in the film plane) can result in strong regular lattice orientation gradients (up to 300 degrees per micrometer) of different geometries: cylindrical, ellipsoidal, toroidal, saddle, etc. Transrotation is increasing as the film gets thinner. Transrotational crystal resembles ideal single crystal enclosed in a curved space. Transrotational micro crystals have been eventually recognized by other authors in some vital thin film materials, i.e. PCMs for memory, silicides, SrTiO3. Atomic model and possible mechanisms of the phenomenon are discussed. New transrotational nanocrystalline model of amorphous state is also proposed Support of RF Ministry of Education and Science is acknowledged.
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Crystallization and preliminary crystallographic study of carnosinase CN2 from mice
Energy Technology Data Exchange (ETDEWEB)
Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami, E-mail: kusunoki@protein.osaka-u.ac.jp [Institute for Protein Research, Osaka University, 3-2 Yamada-oka, Suita, Osaka 565-0871 (Japan)
2006-10-01
Mouse carnosinase was crystallized in complex with Zn{sup 2+} or Mn{sup 2+} and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn{sup 2+} or Zn{sup 2+}. Both crystals of CN2 belong to the monoclinic space group P2{sub 1} and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn{sup 2+} complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn{sup 2+} and Mn{sup 2+} complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method.
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Crystallization and preliminary crystallographic study of carnosinase CN2 from mice
International Nuclear Information System (INIS)
Yamashita, Tetsuo; Unno, Hideaki; Ujita, Sayuri; Otani, Hiroto; Okumura, Nobuaki; Hashida-Okumura, Akiko; Nagai, Katsuya; Kusunoki, Masami
2006-01-01
Mouse carnosinase was crystallized in complex with Zn 2+ or Mn 2+ and the complexes are undergoing structure determination by the MAD method. Mammalian tissues contain several histidine-containing dipeptides, of which l-carnosine is the best characterized and is found in various tissues including the brain and skeletal muscles. However, the mechanism for its biosynthesis and degradation have not yet been fully elucidated. Crystallographic study of carnosinase CN2 from mouse has been undertaken in order to understand its enzymatic mechanism from a structural viewpoint. CN2 was crystallized by the hanging-drop vapour-diffusion technique using PEG 3350 as a precipitant. Crystals were obtained in complex with either Mn 2+ or Zn 2+ . Both crystals of CN2 belong to the monoclinic space group P2 1 and have almost identical unit-cell parameters (a = 54.41, b = 199.77, c = 55.49 Å, β = 118.52° for the Zn 2+ complex crystals). Diffraction data were collected to 1.7 and 2.3 Å for Zn 2+ and Mn 2+ complex crystals, respectively, using synchrotron radiation. Structure determination is ongoing using the multiple-wavelength anomalous diffraction (MAD) method
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Wu, Weihua; Zhao, Zihan; Shen, Bo; Zhai, Jiwei; Song, Sannian; Song, Zhitang
2018-04-19
Amorphous Ge8Sb92 thin films with various thicknesses were deposited by magnetron sputtering. The crystallization kinetics and optical properties of the Ge8Sb92 thin films and related scaling effects were investigated by an in situ thermally induced method and an optical technique. With a decrease in film thickness, the crystallization temperature, crystallization activation energy and data retention ability increased significantly. The changed crystallization behavior may be ascribed to the smaller grain size and larger surface-to-volume ratio as the film thickness decreased. Regardless of whether the state was amorphous or crystalline, the film resistance increased remarkably as the film thickness decreased to 3 nm. The optical band gap calculated from the reflection spectra increases distinctly with a reduction in film thickness. X-ray diffraction patterns confirm that the scaling of the Ge8Sb92 thin film can inhibit the crystallization process and reduce the grain size. The values of exponent indices that were obtained indicate that the crystallization mechanism experiences a series of changes with scaling of the film thickness. The crystallization time was estimated to determine the scaling effect on the phase change speed. The scaling effect on the electrical switching performance of a phase change memory cell was also determined. The current-voltage and resistance-voltage characteristics indicate that phase change memory cells based on a thinner Ge8Sb92 film will exhibit a higher threshold voltage, lower RESET operational voltage and greater pulse width, which implies higher thermal stability, lower power consumption and relatively lower switching velocity.
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International Nuclear Information System (INIS)
Tang, Xuhua; Hew, Choy Leong
2007-01-01
The crystallization of the N-terminal transmembrane region-truncated VP26 and VP28 of white spot syndrome virus is described. White spot syndrome virus (WSSV) is a major virulent pathogen known to infect penaeid shrimp and other crustaceans. VP26 and VP28, two major envelope proteins from WSSV, have been identified and overexpressed in Escherichia coli. In order to facilitate purification and crystallization, predicted N-terminal transmembrane regions of approximately 35 amino acids have been truncated from both VP26 and VP28. Truncated VP26 and VP28 and their corresponding SeMet-labelled proteins were purified and the SeMet proteins were crystallized by the hanging-drop vapour-diffusion method. Crystals of SeMet-labelled VP26 were obtained using a reservoir consisting of 0.1 M citric acid pH 3.5, 3.0 M sodium chloride and 1%(w/v) polyethylene glycol 3350, whereas SeMet VP28 was crystallized using a reservoir solution consisting of 25% polyethylene glycol 8000, 0.2 M calcium acetate, 0.1 M Na HEPES pH 7.5 and 1.5%(w/v) 1,2,3-heptanetriol. Crystals of SeMet-labelled VP26 diffract to 2.2 Å resolution and belong to space group R32, with unit-cell parameters a = b = 73.92, c = 199.31 Å. SeMet-labelled VP28 crystallizes in space group P2 1 2 1 2 1 , with unit-cell parameters a = 105.33, b = 106.71, c = 200.37 Å, and diffracts to 2.0 Å resolution
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Energy Technology Data Exchange (ETDEWEB)
Tang, Xuhua; Hew, Choy Leong, E-mail: dbshewcl@nus.edu.sg [Department of Biological Sciences, National University of Singapore, 14 Science Drive 4, Singapore 117543 (Singapore)
2007-07-01
The crystallization of the N-terminal transmembrane region-truncated VP26 and VP28 of white spot syndrome virus is described. White spot syndrome virus (WSSV) is a major virulent pathogen known to infect penaeid shrimp and other crustaceans. VP26 and VP28, two major envelope proteins from WSSV, have been identified and overexpressed in Escherichia coli. In order to facilitate purification and crystallization, predicted N-terminal transmembrane regions of approximately 35 amino acids have been truncated from both VP26 and VP28. Truncated VP26 and VP28 and their corresponding SeMet-labelled proteins were purified and the SeMet proteins were crystallized by the hanging-drop vapour-diffusion method. Crystals of SeMet-labelled VP26 were obtained using a reservoir consisting of 0.1 M citric acid pH 3.5, 3.0 M sodium chloride and 1%(w/v) polyethylene glycol 3350, whereas SeMet VP28 was crystallized using a reservoir solution consisting of 25% polyethylene glycol 8000, 0.2 M calcium acetate, 0.1 M Na HEPES pH 7.5 and 1.5%(w/v) 1,2,3-heptanetriol. Crystals of SeMet-labelled VP26 diffract to 2.2 Å resolution and belong to space group R32, with unit-cell parameters a = b = 73.92, c = 199.31 Å. SeMet-labelled VP28 crystallizes in space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 105.33, b = 106.71, c = 200.37 Å, and diffracts to 2.0 Å resolution.
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Controllable reflection of X-rays on crystals of saccharose
Navasardyan, M A; Hayrapetyan, K T; Gabrielyan, R T
2003-01-01
Multiple (ten times and more) increase in intensities of separate reflections and of lauegram reflections from organic single crystals of saccharose (C sub 1 2H sub 2 2O sub 1 1) was observed under influence of certain temperature gradient. On the base of the present experiment and the data of our previous woks we show that the controllable reflection process has a common nature and the intensity of the diffracted beam under external influences does not depend on the total number of electrons per unit volume of the unit cell of the single crystal.
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Directory of Open Access Journals (Sweden)
Kaoru Toko
2015-01-01
Full Text Available Producing large-grained polycrystalline Si (poly-Si film on glass substrates coated with conducting layers is essential for fabricating Si thin-film solar cells with high efficiency and low cost. We investigated how the choice of conducting underlayer affected the poly-Si layer formed on it by low-temperature (500°C Al-induced crystallization (AIC. The crystal orientation of the resulting poly-Si layer strongly depended on the underlayer material: (100 was preferred for Al-doped-ZnO (AZO and indium-tin-oxide (ITO; (111 was preferred for TiN. This result suggests Si heterogeneously nucleated on the underlayer. The average grain size of the poly-Si layer reached nearly 20 µm for the AZO and ITO samples and no less than 60 µm for the TiN sample. Thus, properly electing the underlayer material is essential in AIC and allows large-grained Si films to be formed at low temperatures with a set crystal orientation. These highly oriented Si layers with large grains appear promising for use as seed layers for Si light-absorption layers as well as for advanced functional materials.
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Energy Technology Data Exchange (ETDEWEB)
Timofeev, Vladimir I.; Lashkov, Alexander A.; Gabdoulkhakov, Azat G.; Pavlyuk, Bogdan Ph. [A. V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskiy Prospect 59, 119333 Moscow (Russian Federation); Kachalova, Galina S. [Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Institutskaya Street 3, 142290 Pushchino, Moscow Region (Russian Federation); Betzel, Christian [Institute fur Biochemie und Lebensmittelchemie, University of Hamburg, c/o DESY, Building 22, Notkestrasse 85, 22604 Hamburg (Germany); Morgunova, Ekaterina Yu.; Zhukhlistova, Nadezhda E.; Mikhailov, Al’bert M., E-mail: amm@ns.crys.ras.ru [A. V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninskiy Prospect 59, 119333 Moscow (Russian Federation)
2007-10-01
S. typhimurium uridine phosphorylase has been isolated and crystallized in the presence of ligand. Uridine phosphorylase (UPh; EC 2.4.2.3) is a member of the pyrimidine nucleoside phosphorylase family of enzymes which catalyzes the phosphorolytic cleavage of the C—N glycoside bond of uridine, with the formation of ribose 1-phosphate and uracil. This enzyme has been shown to be important in the activation and catabolism of fluoropyrimidines. Modulation of its enzymatic activity may affect the therapeutic efficacy of chemotherapeutic agents. The structural investigation of the bacterial uridine phosphorylases, both unliganded and complexed with substrate/product analogues and inhibitors, may help in understanding the catalytic mechanism of the phosphorolytic cleavage of uridine. Salmonella typhimurium uridine phosphorylase has been crystallized with 2,2′-anhydrouridine. X-ray diffraction data were collected to 2.15 Å. Preliminary analysis of the diffraction data indicates that the crystal belongs to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 88.52, b = 123.98, c = 133.52 Å. The solvent content is 45.51%, assuming the presence of one hexamer molecule per asymmetric unit.
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Nanoparticles in liquid crystals, and liquid crystals in nanoparticles
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.
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Fathima, K. Saiadali; Anitha, K.
2017-05-01
The 1:1 molecular adducts 2-aminobenzimidazolium salicylate (ABIS) single crystal was synthesized and grown from 2-aminobenzimidazole (ABI) as a donor and salicylic acid (SA) as an acceptor. The cell parameter was determined using single crystal X-Ray diffraction method and the complex ABIS belongs to monoclinic system. The spectroscopic studies showed that ABIS crystal was an ion pair complex. The FTIR and Raman spectra showed that the presence of O-H, C=N, C=O vibration which confirms the proton transfer from SA to ABI. The UV-Vis spectrum exhibited a visible band at 359nm for ABIS due to the salicylate anion of the molecule. Further the antimicrobial activity of ABIS complex against Staphylococcus aureus, klebsiella pneumonia, Pseudomonas eruginos and E.coli pathogens was investigated. So the complex molecule inhibits both Gram positive and Gram negative bacterial. It is found that benzimidazole with aminogroup at position 2 increases the general antimicrobial activities of ABIS crystal.
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Crystallization and preliminary X-ray analysis of Escherichia coli RNase G
International Nuclear Information System (INIS)
Fang, Pengfei; Wang, Jing; Li, Xu; Guo, Min; Xing, Li; Cao, Xu; Zhu, Yi; Gao, Yan; Niu, Liwen; Teng, Maikun
2009-01-01
Full-length E. coli RNase G was overexpressed, purified and crystallized. Diffraction data were collected to a resolution of 3.4 Å. The homologous RNases RNase E and RNase G are widely distributed in bacteria and function in many important physiological processes, including mRNA degradation, rRNA maturation and so on. In this study, the crystallization and preliminary X-ray analysis of RNase G from Escherichia coli is described. Purified recombinant E. coli RNase G, which has 497 amino acids, was crystallized in the cubic space group F432, with unit-cell parameters a = b = c = 219.84 Å. X-ray diffraction data were collected to a resolution of 3.4 Å
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Synthesis and Crystal Structure of 1-Chloro-2-methyl-4-nitrobenzene
Directory of Open Access Journals (Sweden)
Jim Simpson
2012-03-01
Full Text Available The title compound (3 was prepared from 4-chloroaniline in good yield on successive oxidation and methylation and its crystal and molecular structure is reported. The compound crystallizes in the monoclinic space group P 21/n with unit cell dimensions a = 13.5698(8, b = 3.7195 (3, c = 13.5967 (8 Å, ß = 91.703(3 °, V = 685.96 (10 Å3. The molecule is essentially planar with a dihedral angle of 6.2(3 ° between the nitro group and the phenyl ring. The crystal structure is stabilised by π...π contacts between adjacent benzene rings together with C–H...O hydrogen bonds and close Cl...O contacts.
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International Nuclear Information System (INIS)
Santos, Rayana Marcela Izidoro da Silva; Nakazato, Roberto Zenhei; Ciapina, Eduardo Goncalves
2016-01-01
Full text: The electrochemical oxidation of formate in alkaline electrolytes has emerged an a promising anodic reaction in the Direct Formate Fuel Cells[1]. Although palladium is considered to be one of the best electro catalyst for the oxidation of formate, important structure-activity relationships are still not understood. In the present work, we investigated the effect of the size of the palladium crystals in the electrochemical oxidation of formate in 0.1 mol L -1 KOH. Carbon-supported palladium nanoparticles (Pd/C) were prepared by chemical reduction of palladium (II) chloride in aqueous media by sodium borohydride in the presence of varying quantities of sodium citrate in the reaction media to obtain metallic crystals with distinct sizes. Analysis of the X-ray diffraction profile revealed the presence of palladium crystals in the range of 6 to 19 nm. Potentiostatic oxidation of formate on the distinct Pd/C samples revealed a volcano-like dependence of the specific activity with the size of the palladium crystals, presenting the highest activity for crystals around 7.5 nm. Reference: [1] A.M. Bartrom, J.L. Haan, The direct formate fuel cell with an alkaline anion exchange membrane, J. Power Sources. 214 (2012) 68-74. (author)
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Second crystal cooling on cryogenically cooled undulator and wiggler double crystal monochromators
International Nuclear Information System (INIS)
Knapp, G. S.
1998-01-01
Simple methods for the cooling of the second crystals of cryogenically cooled undulator and wiggler double crystal monochromators are described. Copper braids between the first and second crystals are used to cool the second crystals of the double crystal monochromators. The method has proved successful for an undulator monochromator and we describe a design for a wiggler monochromator
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International Nuclear Information System (INIS)
Saad, M.; Kassis, A.
2005-03-01
Current voltage characteristics of Zn O/CdS/CuGaSe 2 single crystal solar cells, which have gone through repetitive annealing treatment and have been measured at different values of temperature and illumination intensity, were analyzed using the two-diode equation. The analysis revealed that current transport in these cells is governed by two competing transport mechanisms relating strongly to interface states and that both mechanisms are thermally and light activated. These two mechanisms are interface recombination and tunneling enhanced interface recombination. The activation energy values of the saturation current density in both mechanisms were calculated from the temperature dependence of the parameters describing each of them. It was found that these values depend on temperature and illumination intensity. Furthermore, the behavior of the photovoltaic parameters could be explained relying on the results of the analysis. (Authors)
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Directory of Open Access Journals (Sweden)
Suharso Suharso
2010-06-01
Full Text Available An investigation of the effect of sodium dodecylbenzenesulfonic acid (SDBS on both growth rate and morphology of borax crystal has been carried out. This experiment was carried out at temperature of 25 °C and relative supersaturation of 0.21 and 0.74 under in situ cell optical microscopy method. The result shows that SDBS inhibits the growth rate and changes the morphology of borax crystal. Keywords: Borax; growth rate; crystallization, SDBS
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Realisation of a novel crystal bender for a fast double crystal monochromator
Zaeper, R; Wollmann, R; Luetzenkirchen-Hecht, D; Frahm, R
2001-01-01
A novel crystal bender for an X-ray undulator beamline as part of a fast double crystal monochromator development for full EXAFS energy range was characterized. Rocking curves of the monochromator crystal system were recorded under different heat loads and bending forces of the indirectly cooled first Si(1 1 1) crystal. The monochromator development implements new piezo-driven tilt tables with wide angular range to adjust the crystals' Bragg angles and a high pressure actuated bender mechanism for the first crystal.
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Crystallization and preliminary X-ray diffraction studies of Murraya koenigii trypsin inhibitor
Energy Technology Data Exchange (ETDEWEB)
Shee, Chandan [Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee 247 667 (India); Singh, Tej P. [Department of Biophysics, All India Institute of Medical Sciences, New Delhi 100 029 (India); Kumar, Pravindra, E-mail: kumarfbs@iitr.ernet.in; Sharma, Ashwani K., E-mail: kumarfbs@iitr.ernet.in [Department of Biotechnology, Indian Institute of Technology Roorkee, Roorkee 247 667 (India)
2007-04-01
A Kunitz-type trypsin inhibitor purified from the seeds of Murraya koenigii has been crystallized by the sitting-drop vapour-diffusion method using PEG 8000 as the precipitating agent. A Kunitz-type trypsin inhibitor purified from the seeds of Murraya koenigii has been crystallized by the sitting-drop vapour-diffusion method using PEG 8000 as the precipitating agent. The crystals belong to the tetragonal space group P4{sub 3}2{sub 1}2, with unit-cell parameters a = b = 75.8, c = 150.9 Å. The crystals contain two molecules in the asymmetric unit with a V{sub M} value of 2.5 Å{sup 3} Da{sup −1}. Diffraction was observed to 2.65 Å resolution and a complete data set was collected to 2.9 Å resolution.
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Crystals of Human Serum Albumin for Use in Genetic Engineering and Rational Drug Design
Carter, Daniel C. (Inventor)
1994-01-01
This invention pertains to crystals of serum albumin and processes for growing them. The purpose of the invention is to provide crystals of serum albumin which can be studied to determine binding sites for drugs. Form 2 crystals grow in the monoclinic space P2(sub 1), and possesses the following unit cell constraints: a = 58.9 +/- 7, b = 88.3 +/- 7, c = 60.7 +/- 7, Beta = 101.0 +/- 2 degrees. One advantage of the invention is that it will allow rational drug design
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A Test of Macromolecular Crystallization in Microgravity: Large, Well-Ordered Insulin Crystals
Borgstahl, Gloria E. O.; Vahedi-Faridi, Ardeschir; Lovelace, Jeff; Bellamy, Henry D.; Snell, Edward H.; Whitaker, Ann F. (Technical Monitor)
2001-01-01
Crystals of insulin grown in microgravity on space shuttle mission STS-95 were extremely well-ordered and unusually large (many > 2 mm). The physical characteristics of six microgravity and six earth-grown crystals were examined by X-ray analysis employing superfine f slicing and unfocused synchrotron radiation. This experimental setup allowed hundreds of reflections to be precisely examined for each crystal in a short period of time. The microgravity crystals were on average 34 times larger, had 7 times lower mosaicity, had 54 times higher reflection peak heights and diffracted to significantly higher resolution than their earth grown counterparts. A single mosaic domain model could account for reflections in microgravity crystals whereas reflections from earth crystals required a model with multiple mosaic domains. This statistically significant and unbiased characterization indicates that the microgravity environment was useful for the improvement of crystal growth and resultant diffraction quality in insulin crystals and may be similarly useful for macromolecular crystals in general.
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Crystallization and preliminary X-ray diffraction analysis of rat protein tyrosine phosphatase η
Energy Technology Data Exchange (ETDEWEB)
Matozo, Huita C.; Nascimento, Alessandro S.; Santos, Maria A. M. [Instituto de Física de São Carlos, Departamento de Física e Informática, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CEP 13566-590 São Carlos, SP (Brazil); Iuliano, Rodolfo [Dipartimento di Medicina Sperimentale e Clinica, Facoltà di Medicina e Chirurgia, Università di Catanzaro, 88100 Catanzaro (Italy); Fusco, Alfredo [Dipartimento di Biologia e Patologia Cellulare e Molecolare, c/o Instituto di Endocrinologia ed Oncologia Sperimentale del CNR, Facolta di Medicina e Chirurgia, Università degli Studi di Napoli ‘Federico II’, Via Pansini 5, 80131 Naples (Italy); NOGEC (Naples Oncogenomocs Center)-CEINGE, Biotecnologie Avanzate, Via Comunale Margherita 482, 80145 Naples (Italy); Polikarpov, Igor, E-mail: ipolikarpov@if.sc.usp.br [Instituto de Física de São Carlos, Departamento de Física e Informática, Universidade de São Paulo, Avenida Trabalhador São Carlense 400, CEP 13566-590 São Carlos, SP (Brazil); Laboratório Nacional de Luz Síncrotron, Campinas, SP (Brazil)
2006-09-01
In this study, the catalytic domain of rat protein tyrosine phosphatase η was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. The rat protein tyrosine phosphatase η (rPTPη) is a cysteine-dependent phosphatase which hydrolyzes phosphoester bonds in proteins and other molecules. rPTPη and its human homologue DEP-1 are involved in neoplastic transformations. Thus, expression of the protein is reduced in all oncogene-transformed thyroid cell lines and is absent in highly malignant thyroid cells. Moreover, consistent with the suggested tumour suppression role of PTPη, inhibition of the tumorigenic process occurs after its exogenous reconstitution, suggesting that PTPη might be important for gene therapy of cancers. In this study, the catalytic domain of rPTPη was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. Diffraction data were collected to 1.87 Å resolution. The crystal belongs to space group P2{sub 1}2{sub 1}2{sub 1}, with unit-cell parameters a = 46.46, b = 63.07, c = 111.64 Å, and contains one molecule per asymmetric unit.
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Crystallization and preliminary X-ray diffraction analysis of rat protein tyrosine phosphatase η
International Nuclear Information System (INIS)
Matozo, Huita C.; Nascimento, Alessandro S.; Santos, Maria A. M.; Iuliano, Rodolfo; Fusco, Alfredo; Polikarpov, Igor
2006-01-01
In this study, the catalytic domain of rat protein tyrosine phosphatase η was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. The rat protein tyrosine phosphatase η (rPTPη) is a cysteine-dependent phosphatase which hydrolyzes phosphoester bonds in proteins and other molecules. rPTPη and its human homologue DEP-1 are involved in neoplastic transformations. Thus, expression of the protein is reduced in all oncogene-transformed thyroid cell lines and is absent in highly malignant thyroid cells. Moreover, consistent with the suggested tumour suppression role of PTPη, inhibition of the tumorigenic process occurs after its exogenous reconstitution, suggesting that PTPη might be important for gene therapy of cancers. In this study, the catalytic domain of rPTPη was produced in Escherichia coli in soluble form and purified to homogeneity. Crystals were obtained by the hanging-drop vapour-diffusion method. Diffraction data were collected to 1.87 Å resolution. The crystal belongs to space group P2 1 2 1 2 1 , with unit-cell parameters a = 46.46, b = 63.07, c = 111.64 Å, and contains one molecule per asymmetric unit
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Multiple topological phases in phononic crystals
Chen, Zeguo; Wu, Ying
2017-01-01
We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.
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Multiple topological phases in phononic crystals
Chen, Zeguo
2017-11-20
We report a new topological phononic crystal in a ring-waveguide acoustic system. In the previous reports on topological phononic crystals, there are two types of topological phases: quantum Hall phase and quantum spin Hall phase. A key point in achieving quantum Hall insulator is to break the time-reversal (TR) symmetry, and for quantum spin Hall insulator, the construction of pseudo-spin is necessary. We build such pseudo-spin states under particular crystalline symmetry (C-6v) and then break the degeneracy of the pseudo-spin states by introducing airflow to the ring. We study the topology evolution by changing both the geometric parameters of the unit cell and the strength of the applied airflow. We find that the system exhibits three phases: quantum spin Hall phase, conventional insulator phase and a new quantum anomalous Hall phase.
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International Nuclear Information System (INIS)
Kikuchi, Masaki; Iwabuchi, Shinichiro; Kikkou, Tatsuhiko; Noguchi, Keiichi; Odaka, Masafumi; Yohda, Masafumi; Kawata, Masaaki; Sato, Chikara; Matsumoto, Osamu
2013-01-01
Novel hepatitis B virus-like particles of recombinant dimeric core–GFP fusion protein were expressed, purified and crystallized. The crystals diffracted to 2.15 Å resolution and belonged to space group F432, with unit-cell parameters a = b = c = 219.7 Å. Recombinant hepatitis B virus core proteins dimerize to form building blocks that are capable of self-assembly into a capsid. A core capsid protein dimer (CPD) linked to a green fluorescent protein variant, EGFP, at the C-terminus has been designed. The recombinant fusion CPD was expressed in Escherichia coli, assembled into virus-like particles (VLPs), purified and crystallized. The single crystal diffracted to 2.15 Å resolution and belonged to the cubic space group F432, with unit-cell parameters a = b = c = 219.7 Å. The fusion proteins assembled into icosahedral VLPs in aqueous solution, but were rearranged into octahedral symmetry through the crystal-packing process under the crystallization conditions
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A Compact Device for Colloidal Crystal Studies on Tiangong-1 Target Spacecraft
Li, Xiao-Long; Hu, Shu-Xin; Sun, Zhi-Bin; Zhai, Yong-Liang; Wu, Lan-Sheng; Huang, Zhen; Li, Wei-Ning; Yang, Han-Dong; Zhai, Guang-Jie; Li, Ming
2014-07-01
An experimental device with three crystallization cells, each with two working positions, was designed to study growth kinetics and structural transformation of colloidal crystals under microgravity condition. The device is capable of remote control of experimental procedures. It uses direct-space imaging with white light to monitor morphology of the crystals and reciprocal-space laser diffraction (Kossel lines) to reveal lattice structure. The device, intended for colloidal crystal growth kinetics and structural transformation on Tiangong-1 target spacecraft, had run on-orbit for more than one year till the end of the mission. Hundreds of images and diffraction patterns were collected via the on-ground data receiving station. The data showed that single crystalline samples were successfully grown on the orbit. Structural transformation was carefully studied under electric and thermal field. Using a backup device, control experiments were also performed on the ground under similar conditions except for the microgravity. Preliminary results indicated that the on-orbit crystals were more stable than the on-ground ones.