Mechanism of Promoter Melting by the Xeroderma Pigmentosum Complementation Group B Helicase of Transcription Factor IIH Revealed by Protein-DNA Photo-Cross-Linking

PubMed Central

Douziech, Maxime; Coin, Frédéric; Chipoulet, Jean-Marc; Arai, Yoko; Ohkuma, Yoshiaki; Egly, Jean-Marc; Coulombe, Benoit

2000-01-01

The p89/xeroderma pigmentosum complementation group B (XPB) ATPase-helicase of transcription factor IIH (TFIIH) is essential for promoter melting prior to transcription initiation by RNA polymerase II (RNAPII). By studying the topological organization of the initiation complex using site-specific protein-DNA photo-cross-linking, we have shown that p89/XPB makes promoter contacts both upstream and downstream of the initiation site. The upstream contact, which is in the region where promoter melting occurs (positions −9 to +2), requires tight DNA wrapping around RNAPII. The addition of hydrolyzable ATP tethers the template strand at positions −5 and +1 to RNAPII subunits. A mutation in p89/XPB found in a xeroderma pigmentosum patient impairs the ability of TFIIH to associate correctly with the complex and thereby melt promoter DNA. A model for open complex formation is proposed. PMID:11027286

Double-stranded DNA translocase activity of transcription factor TFIIH and the mechanism of RNA polymerase II open complex formation.

PubMed

Fishburn, James; Tomko, Eric; Galburt, Eric; Hahn, Steven

2015-03-31

Formation of the RNA polymerase II (Pol II) open complex (OC) requires DNA unwinding mediated by the transcription factor TFIIH helicase-related subunit XPB/Ssl2. Because XPB/Ssl2 binds DNA downstream from the location of DNA unwinding, it cannot function using a conventional helicase mechanism. Here we show that yeast TFIIH contains an Ssl2-dependent double-stranded DNA translocase activity. Ssl2 tracks along one DNA strand in the 5' → 3' direction, implying it uses the nontemplate promoter strand to reel downstream DNA into the Pol II cleft, creating torsional strain and leading to DNA unwinding. Analysis of the Ssl2 and DNA-dependent ATPase activity of TFIIH suggests that Ssl2 has a processivity of approximately one DNA turn, consistent with the length of DNA unwound during transcription initiation. Our results can explain why maintaining the OC requires continuous ATP hydrolysis and the function of TFIIH in promoter escape. Our results also suggest that XPB/Ssl2 uses this translocase mechanism during DNA repair rather than physically wedging open damaged DNA.

Evaluation of laser ablation double-focusing SC-ICPMS for “common” lead isotopic measurements in silicate glasses and mineral

USGS Publications Warehouse

Pietruszka, Aaron J.; Neymark, Leonid

2017-01-01

An analytical method for the in situ measurement of “common” Pb isotope ratios in silicate glasses and minerals using a 193-nm excimer laser ablation (LA) system with a double-focusing single-collector (SC)-ICPMS is presented and evaluated as a possible alternative to multiple-collector (MC)-ICPMS. This LA-SC-ICPMS technique employs fast-scanning ion deflectors to sequentially place a series of flat-topped isotope peaks into a single ion-counting detector at a fixed accelerating voltage and magnetic field strength. Reference materials (including NIST, MPI-DING, and USGS glasses) are used to identify two analytical artifacts on the Pb isotope ratios (expressed here as heavier/lighter isotopes) when corrected for mass bias relative to NIST SRM610. The first artifact is characterized by anomalously low Pb isotope ratios (~0.1%/AMU) when SRM610 is analyzed in raster mode as an unknown at small spot sizes (<25 µm), which may indicate that (1) SRM610 is isotopically heterogeneous on a small length scale and/or (2) there is a non-spectral matrix effect on the Pb isotope ratios related to differences in spot size. The second artifact is characterized by anomalously high Pb isotope ratios (<0.1%/AMU) for NIST SRM612 (in raster mode) and some Fe-rich glass reference materials (BCR-2G, GOR132-G, and T1-G). These offsets are thought to be caused by one or more non-spectral matrix effects related to differences in the ablation behavior, composition, or physical properties of these reference materials compared to the bracketing SRM610 standard. The precision (±2SD) of our LA-SC-ICPMS Pb isotopic measurements is similar to (207Pb/206Pb and 208Pb/206Pb, or 20XPb/206Pb) or better than (206Pb/204Pb,207Pb/204Pb, and 208Pb/204Pb, or 20XPb/204Pb) a series of published studies that used a different type of SC-ICPMS and obtained a factor of ~3-4 higher sensitivity for Pb. An increase in the sensitivity of our LA-SC-ICPMS would likely improve the precision of the 20XPb/206Pb and 20XPb/204Pb ratios for low-Pb materials (<5 ppm), possibly making the technique broadly similar to LA-MC-ICPMS (particularly compared to methods that rely upon at least one ion-counting detector). Further improvement in the precision of the 20XPb/206Pb and 20XPb/204Pb ratios for high-Pb materials (>5 ppm) by LA-SC-ICPMS is unlikely, and in this case, LA-MC-ICPMS remains the preferable analytical technique.

Tensile bond strength of an aged resin composite repaired with different protocols.

PubMed

Celik, Esra Uzer; Ergücü, Zeynep; Türkün, L Sebnem; Ercan, Utku Kürșat

2011-08-01

To evaluate the effect of different surface treatments and bonding procedures on the tensile bond strength (TBS) of resin composites repaired 6 months after polymerization. Resin composite sticks were aged in distilled water at 37°C for 6 months. They were divided into 12 groups (n = 10) according to the combination of surface treatment/bonding procedures [none, only bur treatment, XP Bond (XPB/Dentsply/DeTrey) with/without bur, AdheSE (A-SE/Ivoclar/Vivadent) with/without bur, Composite Primer (CP/GC) with/without bur, CP after bur and acid-etching, XPB after acid etching and CP with bur, A-SE after bur and CP]. The ultimate tensile bond strength (UTS) of the resin composites was tested in intact but aged specimens. Tensile bond strengths were tested with a universal testing machine (Shimadzu). Data were analyzed using one-way ANOVA and Duncan Multiple Comparisons tests (p < 0.05). All repaired groups showed significantly higher TBS than the group without any sureface treatment (p < 0.05). Four groups resulted in TBS similar to those of intact resin composite UTS: A-SE, A-SE with bur, A-SE after CP with bur, and XPB after acid etching+CP with bur. Bur treatment, silane primer or etch-and-rinse adhesive application alone were not successful in the repair process of aged resin composite, whereas self-etching adhesive alone showed similar performance to the intact specimens. Combined procedures generally showed better performance: A-SE with bur, A-SE after CP with bur, and XPB after acid etching +CP with bur showed TBS similar to those of the intact specimens. It was concluded that bur roughening of the surfaces and rebonding procedures were essential for repairing aged resin composites.

Characterization, dissolution and solubility of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3OH] at 25 °C and pH 2-9.

PubMed

Zhu, Yinian; Huang, Bin; Zhu, Zongqiang; Liu, Huili; Huang, Yanhua; Zhao, Xin; Liang, Meina

2016-01-01

The interaction between Ca-HAP and Pb(2+) solution can result in the formation of a hydroxyapatite-hydroxypyromorphite solid solution [(PbxCa1-x)5(PO4)3(OH)], which can greatly affect the transport and distribution of toxic Pb in water, rock and soil. Therefore, it's necessary to know the physicochemical properties of (PbxCa1-x)5(PO4)3(OH), predominantly its thermodynamic solubility and stability in aqueous solution. Nevertheless, no experiment on the dissolution and related thermodynamic data has been reported. Dissolution of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3(OH)] in aqueous solution at 25 °C was experimentally studied. The aqueous concentrations were greatly affected by the Pb/(Pb + Ca) molar ratios (XPb) of the solids. For the solids with high XPb [(Pb0.89Ca0.11)5(PO4)3OH], the aqueous Pb(2+) concentrations increased rapidly with time and reached a peak value after 240-720 h dissolution, and then decreased gradually and reached a stable state after 5040 h dissolution. For the solids with low XPb (0.00-0.80), the aqueous Pb(2+) concentrations increased quickly with time and reached a peak value after 1-12 h dissolution, and then decreased gradually and attained a stable state after 720-2160 h dissolution. The dissolution process of the solids with high XPb (0.89-1.00) was different from that of the solids with low XPb (0.00-0.80). The average K sp values were estimated to be 10(-80.77±0.20) (10(-80.57)-10(-80.96)) for hydroxypyromorphite [Pb5(PO4)3OH] and 10(-58.38±0.07) (10(-58.31)-10(-58.46)) for calcium hydroxyapatite [Ca5(PO4)3OH]. The Gibbs free energies of formation (ΔG f (o) ) were determined to be -3796.71 and -6314.63 kJ/mol, respectively. The solubility decreased with the increasing Pb/(Pb + Ca) molar ratios (XPb) of (PbxCa1‒x)5(PO4)3(OH). For the dissolution at 25 °C with an initial pH of 2.00, the experimental data plotted on the Lippmann diagram showed that the solid solution (PbxCa1-x)5(PO4)3(OH) dissolved stoichiometrically at the early stage of dissolution and moved gradually up to the Lippmann solutus curve and the saturation curve for Pb5(PO4)3OH, and then the data points moved along the Lippmann solutus curve from right to left. The Pb-rich (PbxCa1-x)5(PO4)3(OH) was in equilibrium with the Ca-rich aqueous solution. Graphical abstractLippmann diagrams for dissolution of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3OH] at 25 ˚C and an initial pH of 2.00.

Flux flow induced microwave absorption in high temperature superconductor Bi 2-XPb XSr 2Ca N-1Cu NO 4+2N

NASA Astrophysics Data System (ADS)

Owens, F. J.

1990-12-01

Direct measurements of microwave absorption without use of rf H field modulation in granular composites of the 115 K superconductor Bi 2-XPb XSr 2Ca N-1Cu NO 4+2N as a function of magnetic field above 0.1 T reveal a continuing increase of absorption of microwave energy increasing magnetic field. The temperature and magnetic field dependence of the absorption are very different from the low magnetic field (<0.01 T) absorption arising from weak links in the material. The magnetic field and temperature dependence are consistent with the behavior of thermally activated flux flow resistance suggesting the absorption is due to flux creep.

Telomere attrition and genomic instability in xeroderma pigmentosum type-b deficient fibroblasts under oxidative stress

PubMed Central

Ting, Aloysius Poh Leong; Low, Grace Kah Mun; Gopalakrishnan, Kalpana; Hande, M Prakash

2010-01-01

Abstract Xeroderma pigmentosum B (XPB/ERCC3/p89) is an ATP-dependent 3′→5′ directed DNA helicase involved in basal RNA transcription and the nucleotide excision repair (NER) pathway. While the role of NER in alleviating oxidative DNA damage has been acknowledged it remains poorly understood. To study the involvement of XPB in repair of oxidative DNA damage, we utilized primary fibroblasts from a patient suffering from XP with Cockayne syndrome and hydrogen peroxide (H2O2) to induce oxidative stress. Mutant cells retained higher viability and cell cycle dysfunction after H2O2 exposure. Cytokinesis blocked micronucleus assay revealed increased genome instability induced by H2O2. Single cell gel electrophoresis (comet) assay showed that the missense mutation caused a reduced repair capacity for oxidative DNA damage. Mutant fibroblasts also displayed decreased population doubling rate, increased telomere attrition rate and early emergence of senescent characteristics under chronic low dose exposure to H2O2. Fibroblasts from a heterozygous individual displayed intermediate traits in some assays and normal traits in others, indicating possible copy number dependence. The results show that a deficiency in functional XPB paradoxically renders cells more sensitive to the genotoxic effects of oxidative stress while reducing the cytotoxic effects. These findings have implications in the mechanisms of DNA repair, mutagenesis and carcinogenesis and ageing in normal physiological systems. PMID:19840190

Study of x CNFO + (1-x) PLZT magnetoelectric composites

NASA Astrophysics Data System (ADS)

Dipti, Singh, Sangeeta; Juneja, J. K.; Pant, R. P.; Raina, K. K.; Prakash, Chandra

2014-04-01

In the present paper, we are reporting the studies on structural, dielectric, ferroelectric and magnetic properties of Lanthanum (La) substituted Lead Zirconate Titanate (PZT) and Cobalt Nickel ferrite (CNFO) composites with compositional formula x(Co0.80Ni0.20Fe2O4)+(1-x)(Pb1.01625La0.0025Zr0.55Ti0.45O3) (x = 0.00,0.10). The materials were synthesized by solid state reaction route. XRD analysis confirms the presence of both ferrite and ferroelectric phases. Dielectric properties were studied as a function of frequency and temperature. Ferroelectric P-E and Magnetic M-H hysteresis loops were measured at room temperature.

Persistence of Repair Proteins at Unrepaired DNA Damage Distinguishes Diseases with ERCC2 (XPD) Mutations: Cancer-Prone Xeroderma Pigmentosum vs. Non-Cancer-Prone Trichothiodystrophy

PubMed Central

Boyle, Jennifer; Ueda, Takahiro; Oh, Kyu-Seon; Imoto, Kyoko; Tamura, Deborah; Jagdeo, Jared; Khan, Sikandar G.; Nadem, Carine; DiGiovanna, John J.; Kraemer, Kenneth H.

2012-01-01

Patients with xeroderma pigmentosum (XP) have a 1,000-fold increase in ultraviolet (UV)-induced skin cancers while trichothiodystrophy (TTD) patients, despite mutations in the same genes, ERCC2 (XPD) or ERCC3 (XPB), are cancer-free. Unlike XP cells, TTD cells have a nearly normal rate of removal of UV-induced 6-4 photoproducts (6-4PP) in their DNA and low levels of the basal transcription factor, TFIIH. We examined seven XP, TTD, and XP/TTD complex patients and identified mutations in the XPD gene. We discovered large differences in nucleotide excision repair (NER) protein recruitment to sites of localized UV damage in TTD cells compared to XP or normal cells. XPC protein was rapidly localized in all cells. XPC was redistributed in TTD, and normal cells by 3 hr postirradiation, but remained localized in XP cells at 24-hr postirradiation. In XP cells recruitment of other NER proteins (XPB, XPD, XPG, XPA, and XPF) was also delayed and persisted at 24 hr (p < 0.001). In TTD cells with defects in the XPD, XPB, or GTF2H5 (TTDA) genes, in contrast, recruitment of these NER proteins was reduced compared to normals at early time points (p < 0.001) and remained low at 24 hr postirradiation. These data indicate that in XP persistence of NER proteins at sites of unrepaired DNA damage is associated with greatly increased skin cancer risk possibly by blockage of translesion DNA synthesis. In contrast, in TTD, low levels of unstable TFIIH proteins do not accumulate at sites of unrepaired photoproducts and may permit normal translesion DNA synthesis without increased skin cancer. PMID:18470933

Targeted Delivery and Sustained Antitumor Activity of Triptolide through Glucose Conjugation.

PubMed

He, Qing-Li; Minn, Il; Wang, Qiaoling; Xu, Peng; Head, Sarah A; Datan, Emmanuel; Yu, Biao; Pomper, Martin G; Liu, Jun O

2016-09-19

Triptolide, a key ingredient from the traditional Chinese medicinal plant thunder god vine, which has been used to treat inflammation and autoimmune diseases for centuries, has been shown to be an irreversible inhibitor of the XPB subunit of the transcription factor TFIIH and initiation of RNA polymerase II mediated transcription. The clinical development of triptolide over the past two decades has been limited by its toxicity and low water solubility. Herein, we report the development of a glucose conjugate of triptolide, named glutriptolide, which was intended to target tumor cells overexpressing glucose transporters selectively. Glutriptolide did not inhibit XPB activity in vitro but demonstrated significantly higher cytotoxicity against tumor cells over normal cells with greater water solubility than triptolide. Furthermore, it exhibited remarkable tumor control in vivo, which is likely due to sustained stepwise release of active triptolide within cancer cells. These findings indicate that glutriptolide may serve as a promising lead for developing a new mechanistic class of anticancer drugs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Newly identified CHO ERCC3/XPB mutations and phenotype characterization

PubMed Central

Rybanská, Ivana; Gurský, Ján; Fašková, Miriam; Salazar, Edmund P.; Kimlíčková-Polakovičová, Erika; Kleibl, Karol; Thompson, Larry H.; Piršel, Miroslav

2010-01-01

Nucleotide excision repair (NER) is a complex multistage process involving many interacting gene products to repair a wide range of DNA lesions. Genetic defects in NER cause human hereditary diseases including xeroderma pigmentosum (XP), Cockayne syndrome (CS), trichothiodystrophy and a combined XP/CS overlapping symptom. One key gene product associated with all these disorders is the excision repair cross-complementing 3/xeroderma pigmentosum B (ERCC3/XPB) DNA helicase, a subunit of the transcription factor IIH complex. ERCC3 is involved in initiation of basal transcription and global genome repair as well as in transcription-coupled repair (TCR). The hamster ERCC3 gene shows high degree of homology with the human ERCC3/XPB gene. We identified new mutations in the Chinese hamster ovary cell ERCC3 gene and characterized the role of hamster ERCC3 protein in DNA repair of ultraviolet (UV)-induced and oxidative DNA damage. All but one newly described mutations are located in the protein C-terminal region around the last intron–exon boundary. Due to protein truncations or frameshifts, they lack amino acid Ser751, phosphorylation of which prevents the 5′ incision of the UV-induced lesion during NER. Thus, despite the various locations of the mutations, their phenotypes are similar. All ercc3 mutants are extremely sensitive to UV-C light and lack recovery of RNA synthesis (RRS), confirming a defect in TCR of UV-induced damage. Their limited global genome NER capacity averages ∼8%. We detected modest sensitivity of ercc3 mutants to the photosensitizer Ro19-8022, which primarily introduces 8-oxoguanine lesions into DNA. Ro19-8022-induced damage interfered with RRS, and some of the ercc3 mutants had delayed kinetics. All ercc3 mutants showed efficient base excision repair (BER). Thus, the positions of the mutations have no effect on the sensitivity to, and repair of, Ro19-8022-induced DNA damage, suggesting that the ERCC3 protein is not involved in BER. PMID:19942596

Cockayne syndrome pathogenesis: lessons from mouse models.

PubMed

Jaarsma, Dick; van der Pluijm, Ingrid; van der Horst, Gijsbertus T J; Hoeijmakers, Jan H J

2013-01-01

Cockayne syndrome (CS) is a rare multisystem disorder characterized by cachectic dwarfism, nervous system abnormalities and features of premature aging. CS symptoms are associated with mutations in 5 genes, CSA, CSB, XPB, XPD and XPG encoding for proteins involved in the transcription-coupled subpathway of nucleotide excision DNA repair (NER). Mutant mice have been generated for all CS-associated genes and provide tools to examine how the cellular defects translate into CS symptoms. Mice deficient for Csa or Csb genetically mimic CS in man, and develop mild CS symptoms including reduced fat tissue, photoreceptor cell loss, and mild, but characteristic, nervous system pathology. These mild CS models are converted into severe CS models with short life span, progressive nervous system degeneration and cachectic dwarfism after simultaneous complete inactivation of global genome NER. A spectrum of mild-to-severe CS-like symptoms occurs in Xpb, Xpd, and Xpg mice that genetically mimic patients with a disorder that combines CS symptoms with another NER syndrome, xeroderma pigmentosum. In conclusion, CS mouse models mice develop a range of CS phenotypes and open promising perspectives for testing interventional approaches. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Nucleotide excision repair is a potential therapeutic target in multiple myeloma

PubMed Central

Szalat, R; Samur, M K; Fulciniti, M; Lopez, M; Nanjappa, P; Cleynen, A; Wen, K; Kumar, S; Perini, T; Calkins, A S; Reznichenko, E; Chauhan, D; Tai, Y-T; Shammas, M A; Anderson, K C; Fermand, J-P; Arnulf, B; Avet-Loiseau, H; Lazaro, J-B; Munshi, N C

2018-01-01

Despite the development of novel drugs, alkylating agents remain an important component of therapy in multiple myeloma (MM). DNA repair processes contribute towards sensitivity to alkylating agents and therefore we here evaluate the role of nucleotide excision repair (NER), which is involved in the removal of bulky adducts and DNA crosslinks in MM. We first evaluated NER activity using a novel functional assay and observed a heterogeneous NER efficiency in MM cell lines and patient samples. Using next-generation sequencing data, we identified that expression of the canonical NER gene, excision repair cross-complementation group 3 (ERCC3), significantly impacted the outcome in newly diagnosed MM patients treated with alkylating agents. Next, using small RNA interference, stable knockdown and overexpression, and small-molecule inhibitors targeting xeroderma pigmentosum complementation group B (XPB), the DNA helicase encoded by ERCC3, we demonstrate that NER inhibition significantly increases sensitivity and overcomes resistance to alkylating agents in MM. Moreover, inhibiting XPB leads to the dual inhibition of NER and transcription and is particularly efficient in myeloma cells. Altogether, we show that NER impacts alkylating agents sensitivity in myeloma cells and identify ERCC3 as a potential therapeutic target in MM. PMID:28588253

Clinical profile and mutation analysis of xeroderma pigmentosum in Indian patients.

PubMed

Tamhankar, Parag M; Iyer, Shruti V; Ravindran, Shyla; Gupta, Neerja; Kabra, Madhulika; Nayak, Chitra; Kura, Mahendra; Sanghavi, Swapnil; Joshi, Rajesh; Chennuri, Vasundhara Sridhar; Khopkar, Uday

2015-01-01

Xeroderma pigmentosum (XP) is an autosomal recessive genetic disorder characterized by cutaneous and ocular photosensitivity and an increased risk of developing cutaneous neoplasms. Progressive neurological abnormalities develop in a quarter of XP patients. To study the clinical profile and perform a mutation analysis in Indian patients with xeroderma pigmentosum. Ten families with 13 patients with XP were referred to our clinic over 2 years. The genes XPA, XPB and XPC were sequentially analyzed till a pathogenic mutation was identified. Homozygous mutations in the XPA gene were seen in patients with moderate to severe mental retardation (6/10 families) but not in those without neurological features. Two unrelated families with a common family name and belonging to the same community from Maharashtra were found to have an identical mutation in the XPA gene, namely c.335_338delTTATinsCATAAGAAA (p.F112SfsX2). Testing of the XPC gene in two families with four affected children led to the identification of the novel mutations c.1243C>T or p.R415X and c.1677C>A or p.Y559X. In two families, mutations could not be identified in XPA, XPB and XPC genes. The sample size is small. Indian patients who have neurological abnormalities associated with XP should be screened for mutations in the XPA gene.

Ferroelasticity in palmierite-type(1  -  x)Pb3(PO4)2 - xPb3(AsO4)2

NASA Astrophysics Data System (ADS)

Bismayer, Ulli; Mihailova, Boriana; Angel, Ross

2017-06-01

Lead phosphate-arsenate Pb3(P1-x As x O4)2 undergoes an improper ferroelastic phase transition from a rhombohedral paraphase R\\bar{3}m to a monoclinic ferrophase C2/c leading to distinct twin boundary patterns. On cooling compounds with x larger than 0.8 undergo further transitions to monoclinic low-temperature phases, whereas the composition with x  =  0.8 shows order-parameter coupling phenomena. The transformation R\\bar{3}m -C2/c was described on the basis of a three-state Potts model and the existence of precursors of monoclinic clusters in the rhombohedral paraphase. The system is one of the best studied improper ferroelastics. Due to its two-mode phonon behaviour the solid solution exhibits multistep temperature- as well as pressure-driven structural transformations with different length and time scales. Relevant investigations and findings of this palmierite-type material have been made by Prof E K H Salje. Some of the most prominent results from x-ray diffraction, optical microscopy and Raman scattering are reviewed, and the potential implications for domain-wall structures and engineering are discussed.

Silibinin enhances the repair of ultraviolet B-induced DNA damage by activating p53-dependent nucleotide excision repair mechanism in human dermal fibroblasts

PubMed Central

Guillermo-Lagae, Ruth; Deep, Gagan; Ting, Harold; Agarwal, Chapla; Agarwal, Rajesh

2015-01-01

Ultraviolet radiation B (UVB) is the main cause of DNA damage in epidermal cells; and if not repaired, this DNA damage leads to skin cancer. In earlier studies, we have reported that natural flavonolignan silibinin exerts strong chemopreventive efficacy against UVB-induced skin damage and carcinogenesis; however mechanistic studies are still being actively pursued. Here, we investigated the role of nucleotide excision repair (NER) pathway in silibinin's efficacy to repair UVB-induced DNA damage. Normal human dermal fibroblasts (NHDFs) were exposed to UVB (1 mJ/cm2) with pre- or post- silibinin (100 μM) treatment, and cyclobutane pyrimidine dimers (CPDs) formation/repair was measured. Results showed that post-UVB silibinin treatment accelerates DNA repair via activating the NER pathway including the expression of XPA (xeroderma pigmentosum complementation group A), XPB, XPC, and XPG. In UVB exposed fibroblasts, silibinin treatment also increased p53 and GADD45α expression; the key regulators of the NER pathway and DNA repair. Consistently, post-UVB silibinin treatment increased the mRNA transcripts of XPA and GADD45α. Importantly, silibinin showed no effect on UVB-induced DNA damage repair in XPA- and XPB-deficient human dermal fibroblasts suggesting their key role in silibinin-mediated DNA damage repair. Moreover, in the presence of pifithrin-α, an inhibitor of p53, the DNA repair efficacy of silibinin was compromised associated with a reduction in XPA and GADD45α transcripts. Together, these findings suggest that silibinin's efficacy against UVB-induced photodamage is primarily by inhibiting NER and p53; and these findings further support silibinin's usage as a potential inexpensive, effective, and non-toxic agent for skin cancer chemoprevention. PMID:26447614

Silibinin enhances the repair of ultraviolet B-induced DNA damage by activating p53-dependent nucleotide excision repair mechanism in human dermal fibroblasts.

PubMed

Guillermo-Lagae, Ruth; Deep, Gagan; Ting, Harold; Agarwal, Chapla; Agarwal, Rajesh

2015-11-24

Ultraviolet radiation B (UVB) is the main cause of DNA damage in epidermal cells; and if not repaired, this DNA damage leads to skin cancer. In earlier studies, we have reported that natural flavonolignan silibinin exerts strong chemopreventive efficacy against UVB-induced skin damage and carcinogenesis; however mechanistic studies are still being actively pursued. Here, we investigated the role of nucleotide excision repair (NER) pathway in silibinin's efficacy to repair UVB-induced DNA damage. Normal human dermal fibroblasts (NHDFs) were exposed to UVB (1 mJ/cm2) with pre- or post- silibinin (100 μM) treatment, and cyclobutane pyrimidine dimers (CPDs) formation/repair was measured. Results showed that post-UVB silibinin treatment accelerates DNA repair via activating the NER pathway including the expression of XPA (xeroderma pigmentosum complementation group A), XPB, XPC, and XPG. In UVB exposed fibroblasts, silibinin treatment also increased p53 and GADD45α expression; the key regulators of the NER pathway and DNA repair. Consistently, post-UVB silibinin treatment increased the mRNA transcripts of XPA and GADD45α. Importantly, silibinin showed no effect on UVB-induced DNA damage repair in XPA- and XPB-deficient human dermal fibroblasts suggesting their key role in silibinin-mediated DNA damage repair. Moreover, in the presence of pifithrin-α, an inhibitor of p53, the DNA repair efficacy of silibinin was compromised associated with a reduction in XPA and GADD45α transcripts. Together, these findings suggest that silibinin's efficacy against UVB-induced photodamage is primarily by inhibiting NER and p53; and these findings further support silibinin's usage as a potential inexpensive, effective, and non-toxic agent for skin cancer chemoprevention.

Clinical heterogeneity within xeroderma pigmentosum associated with mutations in the DNA repair and transcription gene ERCC3

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

Vermeulen, W.; Kleijer, W.J.; Bootsma, D.

1994-02-01

The human DNA excision repair gene ERCC3 specifically corrects the nucleotide excision repair (NER) defect of xeroderma pigmentosum (XP) complementation group B. In addition to its function in NER, the ERCC3 DNA helicase was recently identified as one of the components of the human BTF2/TFIIH transcription factor complex, which is required for initiation of transcription of class II genes. To date, a single patient (XP11BE) has been assigned to this XP group B (XP-B), with the remarkable conjunction of two autosomal recessive DNA repair deficiency disorders: XP and Cockayne syndrome (CS). The intriguing involvement of the ERCC3 protein in themore » vital process of transcription may provide an explanation for the rarity, severity, and wide spectrum of clinical features in this complementation group. Here the authors report the identification of two new XP-B patients: XPCS1BA and XPCS2BA (siblings), by microneedle injection of the cloned ERCC3 repair gene as well as by cell hybridization. Molecular analysis of the ERCC3 gene in both patients revealed a single base substitution causing a missense mutation in a region that is completely conserved in yeast, Drosophila, mouse, and human ERCC3. As in patient XP11BE, the expression of only one allele (paternal) is detected. The mutation causes a virtually complete inactivation of the NER function of the protein. Despite this severe NER defect, both patients display a late onset of neurologic impairment, mild cutaneous symptoms, and a striking absence of skin tumors even at an age of >40 years. Analysis of the frequency of hprt[sup [minus

A theoretical study of perovskite CsXCl3 (X=Pb, Cd) within first principles calculations

NASA Astrophysics Data System (ADS)

Ilyas, Bahaa M.; Elias, Badal H.

2017-04-01

The structural, elastic, electronic, optical acoustic and thermodynamic properties of the cubic perovskite CsPbCl3 and CsCdCl3 unit cell, were studied using an ultra-soft pseudopotential plane wave, the Trouiller-Martins-Functional was utilized to perform these calculations. The study was implemented within both the Local Density Approximation (LDA) and the Generalized Gradient Approximation (GGA). the Generalized Gradient Approximation (GGA) scheme proposed by van Leeuwen-Baerends which is the same as the Perdew-Wang 92 functional have been carried out to preform our calculations. As for the Local Density Approximation (LDA) the Teter-Pade parametrization (4/93) was implemented which is the same as Perdew-Wang that in its turn reproduces the Ceperley-Alder-Functional. The computed GGA/LDA-lattice parameter for both CsCdCl3 and CsPbCl3 is in an exquisite agreement with the experimental and theoretical results. The energy band structure shows that CsCdCl3 is Γ-R indirect band gap insulator, while CsPbCl3 is an insulator with a direct band gap Γ-Γ separating the valence bands from the conduction bands, which shows metallic nature after pressure 30 GPa. A hybridization exists between Pb-p states and Cl-p states for CsPbCl3, and Cd-p states and Cs-p states for the CsCdCl3 in the valence bonding region. Optimization of both cell shape (geometry) volume were investigated as pressure of 0-20 GPa and 0-40 GPa for the CsCdCl3 and CsPbCl3 respectively. The Pressure dependence of cubic perovskite elastic constants, Young modulus, bulk and shear moduli, Lame's constants, elastic anisotropy factor, elastic wave velocities, phonon dispersion, Debye temperature and the density of states of CsXCl3 (X=Pb, Cd) were theoretically calculated and compared with the other available theoretical results. The above elastic constants reveal the fact that both compounds are stable and show nature of ductility. For the optical properties, both the static refractive index and dielectric constant are found to be related proportionally to the indirect band gap of CsCdCl3. The refractive index, extinction coefficient, complex dielectric function, energy loss function, optical conductivity, reflectivity and absorption coefficient for 0-25 eV incident photon energies have been predicted. The phonon properties were investigated using response functions to predict the phonon lattice dispersion and the density of states. The thermal effect on the heat capacities, entropy, enthalpy and Free energy were predicted and compared using both the quasi-harmonic Debye model and response functions, the latter provided far better results. To the best of the authors' knowledge, most of the studied properties have not been experimentally reported so far. Generally, the computed results for both CsCdCl3 and CsPbCl3 are very satisfactory and show good agreement with other calculations.

Dielectric behaviour of La substituted BPZT ceramics

NASA Astrophysics Data System (ADS)

Kumar, Parveen; Singh, Sangeeta; Juneja, J. K.; Prakash, Chandra; Raina, K. K.

2009-08-01

Here, we report dielectric behaviour of lanthanum substituted Ba 0.80Pb 0.20Ti 0.90Zr 0.10O 3 (BPZT) ceramics. The material series with compositional formula Ba 0.80-xLa xPb 0.20Ti 0.90Zr 0.10O 3 (BLPZT) with x varying from 0 to 0.01 in the steps of 0.0025 was chosen for investigations. The material was synthesized by solid state reaction method. Reacted powder compacted in form of circular discs were sintered at 1325 °C. All the samples were subjected to X-ray diffraction (XRD) analysis and found to be single phase. Dielectric behaviour was studied as a function of frequency and temperature and Curie temperature ( Tc) was determined. Tc was found to decrease with increasing x. The details are discussed and presented in this paper.

Modeling xeroderma pigmentosum associated neurological pathologies with patients-derived iPSCs.

PubMed

Fu, Lina; Xu, Xiuling; Ren, Ruotong; Wu, Jun; Zhang, Weiqi; Yang, Jiping; Ren, Xiaoqing; Wang, Si; Zhao, Yang; Sun, Liang; Yu, Yang; Wang, Zhaoxia; Yang, Ze; Yuan, Yun; Qiao, Jie; Izpisua Belmonte, Juan Carlos; Qu, Jing; Liu, Guang-Hui

2016-03-01

Xeroderma pigmentosum (XP) is a group of genetic disorders caused by mutations of XP-associated genes, resulting in impairment of DNA repair. XP patients frequently exhibit neurological degeneration, but the underlying mechanism is unknown, in part due to lack of proper disease models. Here, we generated patient-specific induced pluripotent stem cells (iPSCs) harboring mutations in five different XP genes including XPA, XPB, XPC, XPG, and XPV. These iPSCs were further differentiated to neural cells, and their susceptibility to DNA damage stress was investigated. Mutation of XPA in either neural stem cells (NSCs) or neurons resulted in severe DNA damage repair defects, and these neural cells with mutant XPA were hyper-sensitive to DNA damage-induced apoptosis. Thus, XP-mutant neural cells represent valuable tools to clarify the molecular mechanisms of neurological abnormalities in the XP patients.

MAT1, cdk7 and cyclin H form a kinase complex which is UV light-sensitive upon association with TFIIH.

PubMed

Adamczewski, J P; Rossignol, M; Tassan, J P; Nigg, E A; Moncollin, V; Egly, J M

1996-04-15

MAT1, cyclin H and cdk7 are part of TFIIH, a class II transcription factor which possesses numerous subunits of which several have been shown to be involved in processes other than transcription. Two of them, XPD (ERCC2) and XPB (ERCC3), are helicases involved in nucleotide excision repair (NER), whereas cdk7, cyclin H and MAT1 are thought to participate in cell cycle regulation. MAT1, cyclin H and cdk7 exist as a ternary complex either free or associated with TFIIH from which the latter can be dissociated at high salt concentration. MAT1 is strongly associated with cdk7 and cyclin H. Although not strictly required for the formation and activity of the complex, it stimulates its kinase activity. The kinase activity of TFIIH, which is constant during the cell cycle, is reduced after UV light irradiation.

MAT1, cdk7 and cyclin H form a kinase complex which is UV light-sensitive upon association with TFIIH.

PubMed Central

Adamczewski, J P; Rossignol, M; Tassan, J P; Nigg, E A; Moncollin, V; Egly, J M

1996-01-01

MAT1, cyclin H and cdk7 are part of TFIIH, a class II transcription factor which possesses numerous subunits of which several have been shown to be involved in processes other than transcription. Two of them, XPD (ERCC2) and XPB (ERCC3), are helicases involved in nucleotide excision repair (NER), whereas cdk7, cyclin H and MAT1 are thought to participate in cell cycle regulation. MAT1, cyclin H and cdk7 exist as a ternary complex either free or associated with TFIIH from which the latter can be dissociated at high salt concentration. MAT1 is strongly associated with cdk7 and cyclin H. Although not strictly required for the formation and activity of the complex, it stimulates its kinase activity. The kinase activity of TFIIH, which is constant during the cell cycle, is reduced after UV light irradiation. Images PMID:8617234

Correction of xeroderma pigmentosum repair defect by basal transcription factor BTF2 (TFIIH).

PubMed Central

van Vuuren, A J; Vermeulen, W; Ma, L; Weeda, G; Appeldoorn, E; Jaspers, N G; van der Eb, A J; Bootsma, D; Hoeijmakers, J H; Humbert, S

1994-01-01

ERCC3 was initially identified as a gene correcting the nucleotide excision repair (NER) defect of xeroderma pigmentosum complementation group B (XP-B). The recent finding that its gene product is identical to the p89 subunit of basal transcription factor BTF2(TFIIH), opened the possibility that it is not directly involved in NER but that it regulates the transcription of one or more NER genes. Using an in vivo microinjection repair assay and an in vitro NER system based on cell-free extracts we demonstrate that ERCC3 in BTF2 is directly implicated in excision repair. Antibody depletion experiments support the idea that the p62 BTF2 subunit and perhaps the entire transcription factor function in NER. Microinjection experiments suggest that exogenous ERCC3 can exchange with ERCC3 subunits in the complex. Expression of a dominant negative K436-->R ERCC3 mutant, expected to have lost all helicase activity, completely abrogates NER and transcription and concomitantly induces a dramatic chromatin collapse. These findings establish the role of ERCC3 and probably the entire BTF2 complex in transcription in vivo which was hitherto only demonstrated in vitro. The results strongly suggest that transcription itself is a critical component for maintenance of chromatin structure. The remarkable dual role of ERCC3 in NER and transcription provides a clue in understanding the complex clinical features of some inherited repair syndromes. Images PMID:8157004

Characterizing core-periphery structure of complex network by h-core and fingerprint curve

NASA Astrophysics Data System (ADS)

Li, Simon S.; Ye, Adam Y.; Qi, Eric P.; Stanley, H. Eugene; Ye, Fred Y.

2018-02-01

It is proposed that the core-periphery structure of complex networks can be simulated by h-cores and fingerprint curves. While the features of core structure are characterized by h-core, the features of periphery structure are visualized by rose or spiral curve as the fingerprint curve linking to entire-network parameters. It is suggested that a complex network can be approached by h-core and rose curves as the first-order Fourier-approach, where the core-periphery structure is characterized by five parameters: network h-index, network radius, degree power, network density and average clustering coefficient. The simulation looks Fourier-like analysis.

Core-periphery structure requires something else in the network

NASA Astrophysics Data System (ADS)

Kojaku, Sadamori; Masuda, Naoki

2018-04-01

A network with core-periphery structure consists of core nodes that are densely interconnected. In contrast to a community structure, which is a different meso-scale structure of networks, core nodes can be connected to peripheral nodes and peripheral nodes are not densely interconnected. Although core-periphery structure sounds reasonable, we argue that it is merely accounted for by heterogeneous degree distributions, if one partitions a network into a single core block and a single periphery block, which the famous Borgatti–Everett algorithm and many succeeding algorithms assume. In other words, there is a strong tendency that high-degree and low-degree nodes are judged to be core and peripheral nodes, respectively. To discuss core-periphery structure beyond the expectation of the node’s degree (as described by the configuration model), we propose that one needs to assume at least one block of nodes apart from the focal core-periphery structure, such as a different core-periphery pair, community or nodes not belonging to any meso-scale structure. We propose a scalable algorithm to detect pairs of core and periphery in networks, controlling for the effect of the node’s degree. We illustrate our algorithm using various empirical networks.

A unified model for the molecular basis of Xeroderma pigmentosum-Cockayne Syndrome

PubMed Central

Moriel-Carretero, María; Herrera-Moyano, Emilia; Aguilera, Andrés

2015-01-01

Nucleotide Excision Repair (NER) is a pathway that removes lesions distorting the DNA helix. The molecular basis of the rare diseases Xeroderma pigmentosum (XP) and Cockayne Syndrome (CS) are explained based on the defects happening in 2 NER branches: Global-Genome Repair and Transcription-Coupled Repair, respectively. Nevertheless, both afflictions sporadically occur together, giving rise to XP/CS; however, the molecular basis of XP/CS is not understood very well. Many efforts have been made to clarify why mutations in only 4 NER genes, namely XPB, XPD, XPF and XPG, are the basis of this disease. Effort has also been made to unravel why mutations within these genes lead to XP, XP/CS, or other pathologies. We have recently contributed to the disclosure of this puzzle by characterizing Rad3/XPD mutations in Saccharomyces cerevisiae and human cells. Based on our, and others', observations, we propose a model compatible with all XP/CS cases and the current bibliography. PMID:26460500

Nuclear reactor

DOEpatents

Wade, Elman E.

1979-01-01

A nuclear reactor including two rotatable plugs and a positive top core holddown structure. The top core holddown structure is divided into two parts: a small core cover, and a large core cover. The small core cover, and the upper internals associated therewith, are attached to the small rotating plug, and the large core cover, with its associated upper internals, is attached to the large rotating plug. By so splitting the core holddown structures, under-the-plug refueling is accomplished without the necessity of enlarging the reactor pressure vessel to provide a storage space for the core holddown structure during refueling. Additionally, the small and large rotating plugs, and their associated core covers, are arranged such that the separation of the two core covers to permit rotation is accomplished without the installation of complex lifting mechanisms.

Metabolism of gonadotropins: comparisons of the primary structures of the human pituitary and urinary LH beta cores and the chimpanzee CG beta core demonstrate universality of core production.

PubMed

Birken, S; Gawinowicz, M A; Maydelman, Y; Milgrom, Y

2001-10-01

The gonadotropins are a family of closely related heterodimeric glycoprotein hormones homologous in structure to disulfide-knot growth factors. Metabolic proteolytic processing in vivo of this disulfide cross-linked region results in urinary excretion of a residual highly stable core structure. The primary structure of the pituitary form of the hLH beta core was reported earlier, but it has proved difficult to isolate the urinary core, although antibodies to the pituitary core demonstrated its presence. By conventional and immunoaffinity methods, the urinary core has been isolated and its structure determined by both chemical and mass spectrometric methods. The urinary hLH beta core is the same as the pituitary-extracted hLH beta core, beta 6-40 disulfide bridged to beta 55-93, except that the pituitary core is more heterogeneous containing also beta 49-93. These findings imply a dual origin of urinary cores, both directly from a secreting tissue and by kidney processing of circulating hormone. We also found that pregnant chimpanzees excrete a CG beta core with a primary structure identical to that of the human CG beta core of pregnancy. In conclusion, gonadotropin core generation and urinary excretion of nearly identical gonadotropin metabolites is common among primates. Although possible biological functions of these core fragments remain unproven, they have diagnostic utility because of their stability and abundance.

Sprayed skin turbine component

DOEpatents

Allen, David B

2013-06-04

Fabricating a turbine component (50) by casting a core structure (30), forming an array of pits (24) in an outer surface (32) of the core structure, depositing a transient liquid phase (TLP) material (40) on the outer surface of the core structure, the TLP containing a melting-point depressant, depositing a skin (42) on the outer surface of the core structure over the TLP material, and heating the assembly, thus forming both a diffusion bond and a mechanical interlock between the skin and the core structure. The heating diffuses the melting-point depressant away from the interface. Subsurface cooling channels (35) may be formed by forming grooves (34) in the outer surface of the core structure, filling the grooves with a fugitive filler (36), depositing and bonding the skin (42), then removing the fugitive material.

Energy-Absorbing Beam Member

NASA Technical Reports Server (NTRS)

Littell, Justin D. (Inventor)

2017-01-01

An energy-absorbing (EA) beam member and having a cell core structure is positioned in an aircraft fuselage proximate to the floor of the aircraft. The cell core structure has a length oriented along a width of the fuselage, a width oriented along a length of the fuselage, and a depth extending away from the floor. The cell core structure also includes cell walls that collectively define a repeating conusoidal pattern of alternating respective larger and smaller first and second radii along the length of the cell core structure. The cell walls slope away from a direction of flight of the aircraft at a calibrated lean angle. An EA beam member may include the cell core structure and first and second plates along the length of the cell core structure on opposite edges of the cell material.

X-ray and Neutron Scattering Study of the Formation of Core–Shell-Type Polyoxometalates

DOE PAGES

Yin, Panchao; Wu, Bin; Mamontov, Eugene; ...

2016-02-05

A typical type of core-shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small angle X-ray scattering is used to study the structural features and stability of the core-shell structures in aqueous solutions. Time-resolved small angle X-ray scattering is applied to monitor the synthetic reactions and a three-stage formation mechanism is proposed to describe the synthesis of the core-shell polyoxometalates based on the monitoring results. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core-shell structures and two different types ofmore » water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures. A typical type of core shell polyoxometalates can be obtained through the Keggin-type polyoxometalate-templated growth of a layer of spherical shell structure of {Mo 72Fe 30}. Small-angle X-ray scattering is used to study the structural features and stability of the core shell structures in aqueous solutions. Time-resolved small-angle X-ray scattering is applied to monitor the synthetic reactions, and a three-stage formation mechanism is proposed to describe the synthesis of the core shell polyoxometalates based on the monitoring results. New protocols have been developed by fitting the X-ray data with custom physical models, which provide more convincing, objective, and completed data interpretation. Quasi-elastic and inelastic neutron scattering are used to probe the dynamics of water molecules in the core shell structures, and two different types of water molecules, the confined and structured water, are observed. These water molecules play an important role in bridging core and shell structures and stabilizing the cluster structures.« less

ZnSe based semiconductor core-shell structures: From preparation to application

NASA Astrophysics Data System (ADS)

Sun, Chengcheng; Gu, Yarong; Wen, Weijia; Zhao, Lijuan

2018-07-01

Inorganic core-shell semiconductor materials have attracted increasing interest in recent years because of the unique structure, stable chemical properties and high performance in devices. With special properties such as a direct band-gap and excellent photoelectrical characteristics, ZnSe based semiconductor core-shell structures are promising materials for applications in such fields as photocatalysts, light-emitting diodes, solar cells, photodetectors, biomedical science and so on. However, few reviews on ZnSe based semiconductor core-shell structures have been reported so far. Therefore this manuscript mainly focuses on the research activities on ZnSe based semiconductor core-shell composites including various preparation methods and the applications of these core-shell structures, especially in photocatalysts, light emitting, solar cells and photodetectors. The possibilities and limitations of studies on ZnSe based semiconductor core-shell composites are also highlighted.

Effect of Ni Core Structure on the Electrocatalytic Activity of Pt-Ni/C in Methanol Oxidation

PubMed Central

Kang, Jian; Wang, Rongfang; Wang, Hui; Liao, Shijun; Key, Julian; Linkov, Vladimir; Ji, Shan

2013-01-01

Methanol oxidation catalysts comprising an outer Pt-shell with an inner Ni-core supported on carbon, (Pt-Ni/C), were prepared with either crystalline or amorphous Ni core structures. Structural comparisons of the two forms of catalyst were made using transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), and methanol oxidation activity compared using CV and chronoamperometry (CA). While both the amorphous Ni core and crystalline Ni core structures were covered by similar Pt shell thickness and structure, the Pt-Ni(amorphous)/C catalyst had higher methanol oxidation activity. The amorphous Ni core thus offers improved Pt usage efficiency in direct methanol fuel cells. PMID:28811402

Descriptions and preliminary interpretations of cores recovered from the Manson Impact Structure (Iowa)

NASA Technical Reports Server (NTRS)

Anderson, R. R.; Witzke, B. J.; Hartung, J. B.; Shoemaker, E. M.; Roddy, D. J.

1993-01-01

A core drilling program initiated by the Iowa Geological Survey Bureau and U.S. Geological Survey in 1991 and 1992 collected 12 cores totalling over 1200 m from the Manson Impact Structure, a probable K-T boundary structure located in north-central Iowa. Cores were recovered from each of the major structural terranes, with 2 cores (M-3 and M-4) from the Terrace Terrane, 4 cores (M-2, M-2A, M-6, and M-9) from the Crater Moat, and 6 cores (M-1, M-5, M-7, M-8, M-10, and M-11) from the Central Peak. These supplemented 2 central peak cores (1-A and 2-A) drilled in 1953. The cores penetrated five major impact lithologies: (1) sedimentary clast breccia; (2) impact ejecta; (3) central peak crystallite rocks; (4) crystalline clast breccia with sandy matrix; and (5) crystallite clast breccia with a melt matrix. Descriptions and preliminary interpretations of these cores are presented.

Using seismic reflection data to reveal high-resolution structure and pathway of the upper Western Boundary Undercurrent core at Eirik Drift

NASA Astrophysics Data System (ADS)

Müller-Michaelis, Antje; Uenzelmann-Neben, Gabriele

2015-12-01

The method of seismic oceanography was applied to identify fine structure and pathways of the Western Boundary Undercurrent (WBUC) at Eirik Drift, 200 km south of Greenland. Three high-velocity cores of the WBUC were distinguished: a deep core in depths >2600 m which carries Denmark Strait Overflow Water, an upper core in depths between ~1900 and 3000 m transporting Iceland-Scotland Overflow Water, and a split-off of this upper core, which crosses the main crest of Eirik Drift at depths between ~1900 and 2400 m. For the upper WBUC core a detailed analysis of the structure was conducted. The WBUC core has as a domed structure, which changes in style, width and height above seafloor along the lines of the changing topography. We proved not only the influence of the topography on pathway and structure of the WBUC core but also that this information cannot be gained by measuring the overflow waters with discrete CTD stations.

Ag@ZnO core-shell nanoparticles study by first principle: The structural, magnetic and optical properties

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

Cheng, Hai-Xia; Wang, Xiao-Xu; Beijing Computing Center, Beijing 100094

Ag@ZnO core-shell nanoparticles of around 72 atoms have been investigated by the density functional theory, revealing proving for the first time that the core-shell structure exhibits a shrinkage phenomenon from outer shell in agreement with the other studies in literatures. Our calculations predict that the Ag@ZnO core-shell structure is a ferromagnetic spin polarized state, and the magnetism mainly stems from the spin splitting of 2p electrons of O atoms. In addition, the total and partial DOS of Ag@ZnO indicate that the nanostructure is a half-metallic nanoparticle and has the characters of the p-type semiconductor. Furthermore, the optical properties calculations showmore » that the absorption edge of Ag@ZnO have a red shift and good photocatalysis compare to that of the bulk ZnO. These results of the Ag@ZnO core-shell structure obtain a well agreement with the experimental measurement. - Graphical abstract: Geometric structure of (a) Ag@ZnO core-shell nanostructure; (b) the core of Ag; (c) the shell of ZnO The core-shell nanoparticle Ag@ZnO contains Ag inner core of radius of 4 Å and ZnO outer shell with thickness of 2 Å. Ag@ZnO core-shell nanoparticles of around 72 atoms have been proved for the first time that the core-shell structure exhibit a shrinkage phenomenon from outer shell. Our calculations predict that the Ag@ZnO core-shell structure is a half-metallic nanoparticle and has the characters of the p-type semiconductor. The absorption edge of Ag@ZnO have a red shift and get good photo-catalysis compare to that of the bulk ZnO.« less

Investing the effectiveness of retention performance in a non-volatile floating gate memory device with a core-shell structure of CdSe nanoparticles

NASA Astrophysics Data System (ADS)

Lee, Dong-Hoon; Kim, Jung-Min; Lim, Ki-Tae; Cho, Hyeong Jun; Bang, Jin Ho; Kim, Yong-Sang

2016-03-01

In this paper, we empirically investigate the retention performance of organic non-volatile floating gate memory devices with CdSe nanoparticles (NPs) as charge trapping elements. Core-structured CdSe NPs or core-shell-structured ZnS/CdSe NPs were mixed in PMMA and their performance in pentacene based device was compared. The NPs and self-organized thin tunneling PMMA inside the devices exhibited hysteresis by trapping hole during capacitance-voltage characterization. Despite of core-structured NPs showing a larger memory window, the retention time was too short to be adopted by an industry. By contrast core-shell structured NPs showed an improved retention time of >10000 seconds than core-structure NCs. Based on these results and the energy band structure, we propose the retention mechanism of each NPs. This investigation of retention performance provides a comparative and systematic study of the charging/discharging behaviors of NPs based memory devices. [Figure not available: see fulltext.

Variable stiffness sandwich panels using electrostatic interlocking core

NASA Astrophysics Data System (ADS)

Heath, Callum J. C.; Bond, Ian P.; Potter, Kevin D.

2016-04-01

Structural topology has a large impact on the flexural stiffness of a beam structure. Reversible attachment between discrete substructures allows for control of shear stress transfer between structural elements, thus stiffness modulation. Electrostatic adhesion has shown promise for providing a reversible latching mechanism for controllable internal connectivity. Building on previous research, a thin film copper polyimide laminate has been used to incorporate high voltage electrodes to Fibre Reinforced Polymer (FRP) sandwich structures. The level of electrostatic holding force across the electrode interface is key to the achievable level of stiffness modulation. The use of non-flat interlocking core structures can allow for a significant increase in electrode contact area for a given core geometry, thus a greater electrostatic holding force. Interlocking core geometries based on cosine waves can be Computer Numerical Control (CNC) machined from Rohacell IGF 110 Foam core. These Interlocking Core structures could allow for enhanced variable stiffness functionality compared to basic planar electrodes. This novel concept could open up potential new applications for electrostatically induced variable stiffness structures.

A simple 3-D numerical model of thermal convection in Earth's growing inner core: on the possibility of the formation of the degree-one structure with lateral viscosity variations

NASA Astrophysics Data System (ADS)

Yoshida, M.

2015-12-01

An east-west hemispherically asymmetric structure for Earth's inner core has been suggested by various seismological evidence, but its origin is not clearly understood. Here, to investigate the possibility of an "endogenic origin" for the degree-one thermal/mechanical structure of the inner core, I performed new numerical simulations of thermal convection in the growing inner core. A setup value that controls the viscosity contrast between the inner core boundary and the interior of the inner core, ΔηT, was taken as a free parameter. Results show that the degree-one structure only appeared for a limited range of ΔηT; such a scenario may be possible but is not considered probable for the real Earth. The degree-one structure may have been realized by an "exogenous factor" due to the planetary-scale thermal coupling among the lower mantle, the outer core, and the inner core, not by an endogenic factor due to the internal rheological heterogeneity.

Advanced Structural and Inflatable Hybrid Spacecraft Module

NASA Technical Reports Server (NTRS)

Schneider, William C. (Inventor); delaFuente, Horacio M. (Inventor); Edeen, Gregg A. (Inventor); Kennedy, Kriss J. (Inventor); Lester, James D. (Inventor); Gupta, Shalini (Inventor); Hess, Linda F. (Inventor); Lin, Chin H. (Inventor); Malecki, Richard H. (Inventor); Raboin, Jasen L. (Inventor)

2001-01-01

An inflatable module comprising a structural core and an inflatable shell, wherein the inflatable shell is sealingly attached to the structural core. In its launch configuration, the wall thickness of the inflatable shell is collapsed by vacuum. Also in this configuration, the inflatable shell is collapsed and efficiently folded around the structural core. Upon deployment, the wall thickness of the inflatable shell is inflated; whereby the inflatable shell itself, is thereby inflated around the structural core, defining therein a large enclosed volume. A plurality of removable shelves are arranged interior to the structural core in the launch configuration. The structural core also includes at least one longeron that, in conjunction with the shelves, primarily constitute the rigid, strong, and lightweight load-bearing structure of the module during launch. The removable shelves are detachable from their arrangement in the launch configuration so that, when the module is in its deployed configuration and launch loads no longer exist, the shelves can be rearranged to provide a module interior arrangement suitable for human habitation and work. In the preferred embodiment, to provide efficiency in structural load paths and attachments, the shape of the inflatable shell is a cylinder with semi-toroidal ends.

Multiple genome alignment for identifying the core structure among moderately related microbial genomes.

PubMed

Uchiyama, Ikuo

2008-10-31

Identifying the set of intrinsically conserved genes, or the genomic core, among related genomes is crucial for understanding prokaryotic genomes where horizontal gene transfers are common. Although core genome identification appears to be obvious among very closely related genomes, it becomes more difficult when more distantly related genomes are compared. Here, we consider the core structure as a set of sufficiently long segments in which gene orders are conserved so that they are likely to have been inherited mainly through vertical transfer, and developed a method for identifying the core structure by finding the order of pre-identified orthologous groups (OGs) that maximally retains the conserved gene orders. The method was applied to genome comparisons of two well-characterized families, Bacillaceae and Enterobacteriaceae, and identified their core structures comprising 1438 and 2125 OGs, respectively. The core sets contained most of the essential genes and their related genes, which were primarily included in the intersection of the two core sets comprising around 700 OGs. The definition of the genomic core based on gene order conservation was demonstrated to be more robust than the simpler approach based only on gene conservation. We also investigated the core structures in terms of G+C content homogeneity and phylogenetic congruence, and found that the core genes primarily exhibited the expected characteristic, i.e., being indigenous and sharing the same history, more than the non-core genes. The results demonstrate that our strategy of genome alignment based on gene order conservation can provide an effective approach to identify the genomic core among moderately related microbial genomes.

Shell-corona microgels from double interpenetrating networks.

PubMed

Rudyak, Vladimir Yu; Gavrilov, Alexey A; Kozhunova, Elena Yu; Chertovich, Alexander V

2018-04-18

Polymer microgels with a dense outer shell offer outstanding features as universal carriers for different guest molecules. In this paper, microgels formed by an interpenetrating network comprised of collapsed and swollen subnetworks are investigated using dissipative particle dynamics (DPD) computer simulations, and it is found that such systems can form classical core-corona structures, shell-corona structures, and core-shell-corona structures, depending on the subchain length and molecular mass of the system. The core-corona structures consisting of a dense core and soft corona are formed at small microgel sizes when the subnetworks are able to effectively separate in space. The most interesting shell-corona structures consist of a soft cavity in a dense shell surrounded with a loose corona, and are found at intermediate gel sizes; the area of their existence depends on the subchain length and the corresponding mesh size. At larger molecular masses the collapsing network forms additional cores inside the soft cavity, leading to the core-shell-corona structure.

Nucleotide Excision Repair Proteins Rapidly Accumulate but Fail to Persist in Human XP-E (DDB2 Mutant) Cells

PubMed Central

Oh, Kyu-Seon; Imoto, Kyoko; Emmert, Steffen; Tamura, Deborah; DiGiovanna, John J.; Kraemer, Kenneth. H.

2011-01-01

The XP-E DNA damage binding protein (DDB2) is involved in early recognition of global genome DNA damage during DNA nucleotide excision repair (NER). We found that skin fibroblasts from 4 newly reported XP-E patients with numerous skin cancers and DDB2 mutations had slow repair of 6-4 photoproducts (6-4PP) and markedly reduced repair of cyclobutane pyrimidine dimers (CPD). NER proteins (XPC, XPB, XPG, XPA, and XPF) co-localized to CPD and 6-4PP positive regions immediately (< 0.1h) after localized UV irradiation in cells from the XP-E patients and normal controls. While these proteins persist in normal cells, surprisingly, within 0.5h these repair proteins were no longer detectable at the sites of DNA damage in XP-E cells. Our results indicate that DDB2 is not required for the rapid recruitment of NER proteins to sites of UV photoproducts or for partial repair of 6-4PP but is essential for normal persistence of these proteins for CPD photoproduct removal. PMID:21388382

B-Site Metal Cation Exchange in Halide Perovskites

DOE PAGES

Eperon, Giles E.; Ginger, David S.

2017-05-02

Here, we demonstrate exchange of the B-site metal cation in hybrid organic-inorganic halide perovskite thin films. We exchange tin in formamidinium tin triiodide (NH 2) 2SnI 3' or FASnI 3) with lead at controllable levels, forming (CH- (NH 2) 2SnI xPB 1-xI 3 alloys with partial substitution and fully converting the film to CH(NH 2) 2PbI 3 with a large excess of Pb 2+. We observe no evidence for phase segregation or bilayered films, indicating that conversion is uniform throughout the film. This facile technique provides a new way to control composition independently from the crystallization processes, allowing formation ofmore » the black phase of CH(NH 2) 2PbI 3 at much lower temperatures than those previously reported while also opening the door to new morphology-composition combinations. The surprising observation that the B-site metal cations are mobile may also provide insight into the nature of transient processes in these materials, suggesting that they may be involved in ionic conduction, and will be a critical consideration for long-term stability.« less

B-Site Metal Cation Exchange in Halide Perovskites

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

Eperon, Giles E.; Ginger, David S.

Here, we demonstrate exchange of the B-site metal cation in hybrid organic-inorganic halide perovskite thin films. We exchange tin in formamidinium tin triiodide (NH 2) 2SnI 3' or FASnI 3) with lead at controllable levels, forming (CH- (NH 2) 2SnI xPB 1-xI 3 alloys with partial substitution and fully converting the film to CH(NH 2) 2PbI 3 with a large excess of Pb 2+. We observe no evidence for phase segregation or bilayered films, indicating that conversion is uniform throughout the film. This facile technique provides a new way to control composition independently from the crystallization processes, allowing formation ofmore » the black phase of CH(NH 2) 2PbI 3 at much lower temperatures than those previously reported while also opening the door to new morphology-composition combinations. The surprising observation that the B-site metal cations are mobile may also provide insight into the nature of transient processes in these materials, suggesting that they may be involved in ionic conduction, and will be a critical consideration for long-term stability.« less

High performance carbon nanotube-Si core-shell wires with a rationally structured core for lithium ion battery anodes.

PubMed

Fan, Yu; Zhang, Qing; Lu, Congxiang; Xiao, Qizhen; Wang, Xinghui; Tay, Beng Kang

2013-02-21

Core-shell Si nanowires are very promising anode materials. Here, we synthesize vertically aligned carbon nanotubes (CNTs) with relatively large diameters and large inter-wire spacing as core wires and demonstrate a CNT-Si core-shell wire composite as a lithium ion battery (LIB) anode. Owing to the rationally engineered core structure, the composite shows good capacity retention and rate performance. The excellent performance is superior to most core-shell nanowires previously reported.

Mechanical Behavior of CFRP Lattice Core Sandwich Bolted Corner Joints

NASA Astrophysics Data System (ADS)

Zhu, Xiaolei; Liu, Yang; Wang, Yana; Lu, Xiaofeng; Zhu, Lingxue

2017-12-01

The lattice core sandwich structures have drawn more attention for the integration of load capacity and multifunctional applications. However, the connection of carbon fibers reinforced polymer composite (CFRP) lattice core sandwich structure hinders its application. In this paper, a typical connection of two lattice core sandwich panels, named as corner joint or L-joint, was investigated by experiment and finite element method (FEM). The mechanical behavior and failure mode of the corner joints were discussed. The results showed that the main deformation pattern and failure mode of the lattice core sandwich bolted corner joints structure were the deformation of metal connector and indentation of the face sheet in the bolt holes. The metal connectors played an important role in bolted corner joints structure. In order to save the calculation resource, a continuum model of pyramid lattice core was used to replace the exact structure. The computation results were consistent with experiment, and the maximum error was 19%. The FEM demonstrated the deflection process of the bolted corner joints structure visually. So the simplified FEM can be used for further analysis of the bolted corner joints structure in engineering.

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

DOE PAGES

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen; ...

2016-12-14

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Strain-induced structural defects and their effects on the electrochemical performances of silicon core/germanium shell nanowire heterostructures

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

Lin, Yung-Chen; Kim, Dongheun; Li, Zhen

Here we report on strain-induced structural defect formation in core Si nanowire of Si/Ge core/shell nanowire heterostructure and influences of the structural defects on the electrochemical performances in lithium-ion battery anodes based on Si/Ge core/shell nanowire heterostructures. The induced structural defects consisting of stacking faults and dislocations in the core Si nanowire were observed for the first time. The generation of stacking faults in Si/Ge core/shell nanowire heterostructure is observed to prefer settling in either only Ge shell region or in both Ge shell and Si core regions and is associated with the increase of the shell volume fraction. Themore » relax of misfit strain in [112] oriented core/shell nanowire heterostructure leads to subsequent gliding of Shockley partial dislocations, preferentially forming the twins. The observation of cross-over defect formation is of great importance for the understanding of heteroepitaxy in radial heterostructures at nanoscale and building the three dimensional heterostructures for the various applications. In addition, the effect of the defect formation on nanomaterial’s functionality is investigated by electrochemical performance test. The Si/Ge core/shell nanowire heterostructures enhance the gravimetric capacity of lithium ion battery anodes under fast charging/discharging rates compared to Si nanowires. However, the induced structural defects hamper lithiation of the Si/Ge core/shell nanowire heterostructure.« less

Physical property data from the ICDP-USGS Eyreville cores A and B, Chesapeake Bay impact structure, Virginia, USA, acquired using a multisensor core logger

USGS Publications Warehouse

Pierce, H.A.; Murray, J.B.

2009-01-01

The International Continental Scientific Drilling Program (ICDP) and the U.S. Geological Survey (USGS) drilled three core holes to a composite depth of 1766 m within the moat of the Chesapeake Bay impact structure. Core recovery rates from the drilling were high (??90%), but problems with core hole collapse limited the geophysical downhole logging to natural-gamma and temperature logs. To supplement the downhole logs, ??5% of the Chesapeake Bay impact structure cores was processed through the USGS GeoTek multisensor core logger (MSCL) located in Menlo Park, California. The measured physical properties included core thickness (cm), density (g cm-3), P-wave velocity (m s-1), P-wave amplitude (%), magnetic susceptibility (cgs), and resistivity (ohm-m). Fractional porosity was a secondary calculated property. The MSCL data-sampling interval for all core sections was 1 cm longitudinally. Photos of each MSCL sampled core section were imbedded with the physical property data for direct comparison. These data have been used in seismic, geologic, thermal history, magnetic, and gravity models of the Chesapeake Bay impact structure. Each physical property curve has a unique signature when viewed over the full depth of the Chesapeake Bay impact structure core holes. Variations in the measured properties reflect differences in pre-impact target-rock lithologies and spatial variations in impact-related deformation during late-stage crater collapse and ocean resurge. ?? 2009 The Geological Society of America.

Inflatable Vessel and Method

NASA Technical Reports Server (NTRS)

Raboin, Jasen L. (Inventor); Valle, Gerard D. (Inventor); Edeen, Gregg A. (Inventor); delaFuente, Horacio M. (Inventor); Schneider, William C. (Inventor); Spexarth, Gary R. (Inventor); Pandya, Shalini Gupta (Inventor); Johnson, Christopher J. (Inventor)

2003-01-01

An inflatable module comprising a structural core and an inflatable shell, wherein the inflatable shell is sealingly attached to the structural core. In its launch or pre-deployed configuration, the wall thickness of the inflatable shell is collapsed by vacuum. Also in this configuration, the inflatable shell is collapsed and efficiently folded around the structural core. Upon deployment, the wall thickness of the inflatable shell is inflated; whereby the inflatable shell itself, is thereby inflated around the structural core, defining therein a large enclosed volume. A plurality of removable shelves are arranged interior to the structural core in the launch configuration. The structural core also includes at least one longeron that, in conjunction with the shelves, primarily constitute the rigid, strong, and lightweight load-bearing structure of the module during launch. The removable shelves are detachable from their arrangement in the launch configuration so that, when the module is in its deployed configuration and launch loads no longer exist, the shelves can be rearranged to provide a module interior arrangement suitable for human habitation and work. In the preferred embodiment, to provide efficiency in structural load paths and attachments, the shape of the inflatable shell is a cylinder with semi-toroidal ends.

Enhancing oxidative stability in heated oils using core/shell structures of collagen and α-tocopherol complex.

PubMed

Gim, Seo Yeong; Hong, Seungmi; Kim, Jisu; Kwon, YongJun; Kim, Mi-Ja; Kim, GeunHyung; Lee, JaeHwan

2017-11-15

In this study, collagen mesh structure was prepared by carrying α-tocopherol in the form of core/shell complex. Antioxidant properties of α-tocopherol loaded carriers were tested in moisture added bulk oils at 140°C. From one gram of collagen core/shell complex, 138mg α-tocopherol was released in medium chain triacylglycerol (MCT). α-Tocopherol was substantially protected against heat treatment when α-tocopherol was complexed in collagen core/shell. Oxidative stability in bulk oil was significantly enhanced by added collagen mesh structure or collagen core/shell complex with α-tocopherol compared to that in control bulk oils (p<0.05), although no significant difference was observed between oils containing collagen mesh structure and collagen core/shell with α-tocopherol (p>0.05). Results of DPPH loss in methanol demonstrated that collagen core/shell with α-tocopherol had significantly (p<0.05) higher antioxidant properties than collagen mesh structure up to a certain period. Therefore, collagen core/shell complex is a promising way to enhance the stability of α-tocopherol and oxidative stability in oil-rich foods prepared at high temperature. Copyright © 2017 Elsevier Ltd. All rights reserved.

78 FR 21818 - Schedules of Controlled Substances: Placement of Methylone Into Schedule I

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-12

...- methylenedioxymethamphetamine (MDMA), cathinone and other related substances. The addition of a beta-keto ([beta]-ketone) substituent to the phenethylamine core structure produces a group of substances that have [beta]-keto-phenethylamine as the core structure. Methylone has a [beta]-keto-phenethylamine core structure. Methylone has...

Dislocation core structures of tungsten with dilute solute hydrogen

NASA Astrophysics Data System (ADS)

Wang, Yinan; Li, Qiulin; Li, Chengliang; Shu, Guogang; Xu, Ben; Liu, Wei

2017-12-01

In this paper, a combination of quantum mechanical and interatomic potential-based atomistic calculations are used to predict the core structures of screw and edge dislocations in tungsten in the presence of a particular concentration of hydrogen atoms. These configurations of the core structures are the results of two competing energies: the interaction between the partial dislocations and the corresponding generalized stacking fault energy in between the two partial dislocations, which are presented in this work. With this, we can precisely predict the configurations of the hydrogen-doped dislocation core structures.

Self-assembly of core-shell structure PtO2@Pt nanodots and their formation evolution

NASA Astrophysics Data System (ADS)

Yang, Weijia; Liu, Junjie; Liu, Mingquan; Zhao, Zhicheng; Song, Yapeng; Tang, Xiufeng; Luo, Jianyi; Zeng, Qingguang; He, Xin

2018-05-01

Core-shell structure PtO2@Pt nanodots have been self-assembly by vacuum sputtering and high temperature annealing. First, Pt thin films with a small amount of PtO2 are grown on the sapphire substrates by vacuum sputtering. And then high temperature annealing on the thin films is carried out at 800 °C for 2 min to form Pt nanodots. During the cooling process, the atmosphere is deployed to supplant the nitrogen. Finally, even distributed core-shell structure PtO2@Pt nanodots with a diameter from 100 to 300 nm are achieved. Furthermore, the formation evolution of core-shell structure PtO2@Pt nanodots is also proposed. This work open up a new approach for fabricating core-shell structure nanodots.

Cdt2-mediated XPG degradation promotes gap-filling DNA synthesis in nucleotide excision repair

PubMed Central

Han, Chunhua; Wani, Gulzar; Zhao, Ran; Qian, Jiang; Sharma, Nidhi; He, Jinshan; Zhu, Qianzheng; Wang, Qi-En; Wani, Altaf A

2015-01-01

Xeroderma pigmentosum group G (XPG) protein is a structure-specific repair endonuclease, which cleaves DNA strands on the 3′ side of the DNA damage during nucleotide excision repair (NER). XPG also plays a crucial role in initiating DNA repair synthesis through recruitment of PCNA to the repair sites. However, the fate of XPG protein subsequent to the excision of DNA damage has remained unresolved. Here, we show that XPG, following its action on bulky lesions resulting from exposures to UV irradiation and cisplatin, is subjected to proteasome-mediated proteolytic degradation. Productive NER processing is required for XPG degradation as both UV and cisplatin treatment-induced XPG degradation is compromised in NER-deficient XP-A, XP-B, XP-C, and XP-F cells. In addition, the NER-related XPG degradation requires Cdt2, a component of an E3 ubiquitin ligase, CRL4Cdt2. Micropore local UV irradiation and in situ Proximity Ligation assays demonstrated that Cdt2 is recruited to the UV-damage sites and interacts with XPG in the presence of PCNA. Importantly, Cdt2-mediated XPG degradation is crucial to the subsequent recruitment of DNA polymerase δ and DNA repair synthesis. Collectively, our data support the idea of PCNA recruitment to damage sites which occurs in conjunction with XPG, recognition of the PCNA-bound XPG by CRL4Cdt2 for specific ubiquitylation and finally the protein degradation. In essence, XPG elimination from DNA damage sites clears the chromatin space needed for the subsequent recruitment of DNA polymerase δ to the damage site and completion of gap-filling DNA synthesis during the final stage of NER. PMID:25483071

Synthesis of parallel and antiparallel core-shell triangular nanoparticles

NASA Astrophysics Data System (ADS)

Bhattacharjee, Gourab; Satpati, Biswarup

2018-04-01

Core-shell triangular nanoparticles were synthesized by seed mediated growth. Using triangular gold (Au) nanoparticle as template, we have grown silver (Ag) shellto get core-shell nanoparticle. Here by changing the chemistry we have grown two types of core-shell structures where core and shell is having same symmetry and also having opposite symmetry. Both core and core-shell nanoparticles were characterized using transmission electron microscopy (TEM) and energy dispersive X-ray spectroscopy (EDX) to know the crystal structure and composition of these synthesized core-shell nanoparticles. From diffraction pattern analysis and energy filtered TEM (EFTEM) we have confirmed the crystal facet in core is responsible for such two dimensional growth of core-shell nanostructures.

Genetic Polymorphisms in XRCC1, CD3EAP, PPP1R13L, XPB, XPC, and XPF and the Risk of Chronic Benzene Poisoning in a Chinese Occupational Population.

PubMed

Xue, Ping; Gao, Lin; Xiao, Sha; Zhang, Guopei; Xiao, Mingyang; Zhang, Qianye; Zheng, Xiao; Cai, Yuan; Jin, Cuihong; Yang, Jinghua; Wu, Shengwen; Lu, Xiaobo

2015-01-01

Individual variations in the capacity of DNA repair machinery to relieve benzene-induced DNA damage may be the key to developing chronic benzene poisoning (CBP), an increasingly prevalent occupational disease in China. ERCC1 (Excision repair cross complementation group 1) is located on chromosome 19q13.2-3 and participates in the crucial steps of Nucleotide Excision Repair (NER); moreover, we determined that one of its polymorphisms, ERCC1 rs11615, is a biomarker for CBP susceptibility in our previous report. Our aim is to further explore the deeper association between some genetic variations related to ERCC1 polymorphisms and CBP risk. Nine single nucleotide polymorphisms (SNPs) of XRCC1 (X-ray repair cross-complementing 1), CD3EAP (CD3e molecule, epsilon associated protein), PPP1R13L (protein phosphatase 1, regulatory subunit 13 like), XPB (Xeroderma pigmentosum group B), XPC (Xeroderma pigmentosum group C) and XPF (Xeroderma pigmentosum group F) were genotyped by the Snapshot and TaqMan-MGB® probe techniques, in a study involving 102 CBP patients and 204 controls. The potential interactions between these SNPs and lifestyle factors, such as smoking and drinking, were assessed using a stratified analysis. An XRCC1 allele, rs25487, was related to a higher risk of CBP (P<0.001) even after stratifying for potential confounders. Carriers of the TT genotype of XRCC1 rs1799782 who were alcohol drinkers (OR = 8.000; 95% CI: 1.316-48.645; P = 0.022), male (OR = 9.333; 95% CI: 1.593-54.672; P = 0.019), and had an exposure of ≤12 years (OR = 2.612; 95% CI: 1.048-6.510; P = 0.035) had an increased risk of CBP. However, the T allele in PPP1R13L rs1005165 (P<0.05) and the GA allele in CD3EAP rs967591 (OR = 0.162; 95% CI: 0039~0.666; P = 0.037) decreased the risk of CBP in men. The haplotype analysis of XRCC1 indicated that XRCC1 rs25487A, rs25489G and rs1799782T (OR = 15.469; 95% CI: 5.536-43.225; P<0.001) were associated with a high risk of CBP. The findings showed that the rs25487 and rs1799782 polymorphisms of XRCC1 may contribute to an individual's susceptibility to CBP and may be used as valid biomarkers. Overall, the genes on chromosome 19q13.2-3 may have a special significance in the development of CBP in occupationally exposed Chinese populations.

Genetic Polymorphisms in XRCC1, CD3EAP, PPP1R13L, XPB, XPC, and XPF and the Risk of Chronic Benzene Poisoning in a Chinese Occupational Population

PubMed Central

Xiao, Sha; Zhang, Guopei; Xiao, Mingyang; Zhang, Qianye; Zheng, Xiao; Cai, Yuan; Jin, Cuihong; Yang, Jinghua; Wu, Shengwen; Lu, Xiaobo

2015-01-01

Objectives Individual variations in the capacity of DNA repair machinery to relieve benzene-induced DNA damage may be the key to developing chronic benzene poisoning (CBP), an increasingly prevalent occupational disease in China. ERCC1 (Excision repair cross complementation group 1) is located on chromosome 19q13.2–3 and participates in the crucial steps of Nucleotide Excision Repair (NER); moreover, we determined that one of its polymorphisms, ERCC1 rs11615, is a biomarker for CBP susceptibility in our previous report. Our aim is to further explore the deeper association between some genetic variations related to ERCC1 polymorphisms and CBP risk. Methods Nine single nucleotide polymorphisms (SNPs) of XRCC1 (X-ray repair cross-complementing 1), CD3EAP (CD3e molecule, epsilon associated protein), PPP1R13L (protein phosphatase 1, regulatory subunit 13 like), XPB (Xeroderma pigmentosum group B), XPC (Xeroderma pigmentosum group C) and XPF (Xeroderma pigmentosum group F) were genotyped by the Snapshot and TaqMan-MGB® probe techniques, in a study involving 102 CBP patients and 204 controls. The potential interactions between these SNPs and lifestyle factors, such as smoking and drinking, were assessed using a stratified analysis. Results An XRCC1 allele, rs25487, was related to a higher risk of CBP (P<0.001) even after stratifying for potential confounders. Carriers of the TT genotype of XRCC1 rs1799782 who were alcohol drinkers (OR = 8.000; 95% CI: 1.316–48.645; P = 0.022), male (OR = 9.333; 95% CI: 1.593–54.672; P = 0.019), and had an exposure of ≤12 years (OR = 2.612; 95% CI: 1.048–6.510; P = 0.035) had an increased risk of CBP. However, the T allele in PPP1R13L rs1005165 (P<0.05) and the GA allele in CD3EAP rs967591 (OR = 0.162; 95% CI: 0039~0.666; P = 0.037) decreased the risk of CBP in men. The haplotype analysis of XRCC1 indicated that XRCC1 rs25487A, rs25489G and rs1799782T (OR = 15.469; 95% CI: 5.536–43.225; P<0.001) were associated with a high risk of CBP. Conclusions The findings showed that the rs25487 and rs1799782 polymorphisms of XRCC1 may contribute to an individual’s susceptibility to CBP and may be used as valid biomarkers. Overall, the genes on chromosome 19q13.2–3 may have a special significance in the development of CBP in occupationally exposed Chinese populations. PMID:26681190

Connecting Core Percolation and Controllability of Complex Networks

PubMed Central

Jia, Tao; Pósfai, Márton

2014-01-01

Core percolation is a fundamental structural transition in complex networks related to a wide range of important problems. Recent advances have provided us an analytical framework of core percolation in uncorrelated random networks with arbitrary degree distributions. Here we apply the tools in analysis of network controllability. We confirm analytically that the emergence of the bifurcation in control coincides with the formation of the core and the structure of the core determines the control mode of the network. We also derive the analytical expression related to the controllability robustness by extending the deduction in core percolation. These findings help us better understand the interesting interplay between the structural and dynamical properties of complex networks. PMID:24946797

Effect of alloying on screw dislocation structure in Mo: atomistic modelling approach with ab-initio parametrization

NASA Astrophysics Data System (ADS)

Gornostyrev, Yu. N.

2005-03-01

The plastic deformation in bcc metals is realized by the motion of screw dislocations with a complex star-like non-planar core. In this case, the direct investigation of the solute effect by first principles electronic structure calculations is a challenging problem for which we follow a combined approach that includes atomistic dislocation modelling with ab-initio parametrization of interatomic interactions. The screw dislocation core structure in Mo alloys is described within the model of atomic row displacements along a dislocation line with the interatomic row potential estimated from total energy full-potential linear muffin-tin orbital (FLMTO) calculations with the generalized gradient approximation (GGA) for the exchange-correlation potential. We demonstrate (1) that the solute effect on the dislocation structure is different for ``hard'' and ``easy'' cores and (2) that the softener addition in a ``hard'' core gives rise to a structural transformation into a configuration with a lower energy through an intermediate state. The softener solute is shown to disturb locally the three-fold symmetry of the dislocation core and the dislocation structure tends to the split planar core.

Measurement and Analysis of Structural Integrity of Reactor Core Support Structure in Pressurized Water Reactor (PWR) Plant

NASA Astrophysics Data System (ADS)

Ansari, Saleem A.; Haroon, Muhammad; Rashid, Atif; Kazmi, Zafar

2017-02-01

Extensive calculation and measurements of flow-induced vibrations (FIV) of reactor internals were made in a PWR plant to assess the structural integrity of reactor core support structure against coolant flow. The work was done to meet the requirements of the Fukushima Response Action Plan (FRAP) for enhancement of reactor safety, and the regulatory guide RG-1.20. For the core surveillance measurements the Reactor Internals Vibration Monitoring System (IVMS) has been developed based on detailed neutron noise analysis of the flux signals from the four ex-core neutron detectors. The natural frequencies, displacement and mode shapes of the reactor core barrel (CB) motion were determined with the help of IVMS. The random pressure fluctuations in reactor coolant flow due to turbulence force have been identified as the predominant cause of beam-mode deflection of CB. The dynamic FIV calculations were also made to supplement the core surveillance measurements. The calculational package employed the computational fluid dynamics, mode shape analysis, calculation of power spectral densities of flow & pressure fields and the structural response to random flow excitation forces. The dynamic loads and stiffness of the Hold-Down Spring that keeps the core structure in position against upward coolant thrust were also determined by noise measurements. Also, the boron concentration in primary coolant at any time of the core cycle has been determined with the IVMS.

Tuned Chamber Core Panel Acoustic Test Results

NASA Technical Reports Server (NTRS)

Schiller, Noah H.; Allen, Albert R.

2016-01-01

This report documents acoustic testing of tuned chamber core panels, which can be used to supplement the low-frequency performance of conventional acoustic treatment. The tuned chamber core concept incorporates low-frequency noise control directly within the primary structure and is applicable to sandwich constructions with a directional core, including corrugated-, truss-, and fluted-core designs. These types of sandwich structures have long, hollow channels (or chambers) in the core. By adding small holes through one of the facesheets, the hollow chambers can be utilized as an array of low-frequency acoustic resonators. These resonators can then be used to attenuate low-frequency noise (below 400 Hz) inside a vehicle compartment without increasing the weight or size of the structure. The results of this test program demonstrate that the tuned chamber core concept is effective when used in isolation or combined with acoustic foam treatments. Specifically, an array of acoustic resonators integrated within the core of the panels was shown to improve both the low-frequency absorption and transmission loss of the structure in targeted one-third octave bands.

Ab initio simulations of iron-nickel alloys at Earth's core conditions

NASA Astrophysics Data System (ADS)

Côté, Alexander S.; Vočadlo, Lidunka; Brodholt, John P.

2012-09-01

We report ab initio density functional theory calculations on iron-nickel (FeNi) alloys at conditions representative of the Earth's inner core. We test different concentrations of Ni, up to ∼39 wt% using ab initio lattice dynamics, and investigate the thermodynamic and vibrational stability of the three candidate crystal structures (bcc, hcp and fcc). First of all, at inner core pressures, we find that pure Fe transforms from the hcp to the fcc phase at around 6000 K. Secondly, in agreement with low pressure experiments on Fe-Ni alloys, we find the fcc structure is stabilised by the incorporation of Ni under core pressures and temperatures. Our results show that the fcc structure may, therefore, be stable under core conditions depending on the temperature in the inner core and the Ni content. Lastly, we find that within the quasi-harmonic approximation, there is no stability field for FeNi alloys in the bcc structure under core conditions.

Research advances in polymer emulsion based on "core-shell" structure particle design.

PubMed

Ma, Jian-zhong; Liu, Yi-hong; Bao, Yan; Liu, Jun-li; Zhang, Jing

2013-09-01

In recent years, quite many studies on polymer emulsions with unique core-shell structure have emerged at the frontier between material chemistry and many other fields because of their singular morphology, properties and wide range of potential applications. Organic substance as a coating material onto either inorganic or organic internal core materials promises an unparalleled opportunity for enhancement of final functions through rational designs. This contribution provides a brief overview of recent progress in the synthesis, characterization, and applications of both inorganic-organic and organic-organic polymer emulsions with core-shell structure. In addition, future research trends in polymer composites with core-shell structure are also discussed in this review. Copyright © 2013 Elsevier B.V. All rights reserved.

Nonplanar core structure of the screw dislocations in tantalum from the improved Peierls-Nabarro theory

NASA Astrophysics Data System (ADS)

Hu, Xiangsheng; Wang, Shaofeng

2018-02-01

The extended structure of ? screw dislocation in Ta has been studied theoretically using the improved Peierls-Nabarro model combined with the first principles calculation. An instructive way to derive the fundamental equation for dislocations with the nonplanar structure is presented. The full ?-surface of ? plane in tantalum is evaluated from the first principles. In order to compare the energy of the screw dislocation with different structures, the structure parameter is introduced to describe the core configuration. Each kind of screw dislocation is described by an overall-shape component and a core component. Far from the dislocation centre, the asymptotic behaviour of dislocation is uniquely controlled by the overall-shape component. Near the dislocation centre, the structure detail is described by the core component. The dislocation energy is explicitly plotted as a function of the core parameter for the nonplanar dislocation as well as for the planar dislocation. It is found that in the physical regime of the core parameter, the sixfold nonplanar structure always has the lowest energy. Our result clearly confirms that the sixfold nonplanar structure is the most stable. Furthermore, the pressure effect on the dislocation structure is explored up to 100 GPa. The stability of the sixfold nonplanar structure is not changed by the applied pressure. The equilibrium structure and the related stress field are calculated, and a possible mechanism of the dislocation movement is discussed briefly based on the structure deformation caused by the external stress.

Evidence for Radial Anisotropy in Earth's Upper Inner Core from Normal Modes

NASA Astrophysics Data System (ADS)

Lythgoe, K.; Deuss, A. F.

2017-12-01

The structure of the uppermost inner core is related to solidification of outer core material at the inner core boundary. Previous seismic studies using body waves indicate an isotropic upper inner core, although radial anisotropy has not been considered since it cannot be uniquely determined by body waves. Normal modes, however, do constrain radial anisotropy in the inner core. Centre frequency measurements indicate 2-5 % radial anisotropy in the upper 100 km of the inner core, with a fast direction radially outwards and a slow direction along the inner core boundary. This seismic structure provides constraints on solidification processes at the inner core boundary and appears consistent with texture predicted due to anisotropic inner core growth.

Aqueous poly(amidoamine) dendrimer G3 and G4 generations with several interior cores at pHs 5 and 7: a molecular dynamics simulation study.

PubMed

Kavyani, Sajjad; Amjad-Iranagh, Sepideh; Modarress, Hamid

2014-03-27

Poly(amidoamine) (PAMAM) dendrimers play an important role in drug delivery systems, because the dendrimers are susceptible to gain unique features with modification of their structure such as changing their terminals or improving their interior core. To investigate the core improvement and the effect of core nature on PAMAM dendrimers, we studied two generations G3 and G4 PAMAM dendrimers with the interior cores of commonly used ethylendiamine (EDA), 1,5-diaminohexane (DAH), and bis(3-aminopropyl) ether (BAPE) solvated in water, as an aqueous dendrimer system, by using molecular dynamics simulation and applying a coarse-grained (CG) dendrimer force field. To consider the electrostatic interactions, the simulations were performed at two protonation states, pHs 5 and 7. The results indicated that the core improvement of PAMAM dendrimers with DAH produces the largest size for G3 and G4 dendrimers at both pHs 5 and 7. The increase in the size was also observed for BAPE core but it was not so significant as that for DAH core. By considering the internal structure of dendrimers, it was found that PAMAM dendrimer shell with DAH core had more cavities than with BAPE core at both pHs 5 and 7. Also the moment of inertia calculations showed that the generation G3 is more open-shaped and has higher structural asymmetry than the generation G4. Possessing these properties by G3, specially due to its structural asymmetry, make penetration of water beads into the dendrimer feasible. But for higher generation G4 with its relatively structural symmetry, the encapsulation efficiency for water molecules can be enhanced by changing its core to DAH or BAPE. It is also observed that for the higher generation G4 the effect of core modification is more profound than G3 because the core modification promotes the structural asymmetry development of G4 more significantly. Comparing the number of water beads that penetrate into the PAMAM dendrimers for EDA, DAH, and BAPE cores indicates a significant increase when their cores have been modified with DAH or BAPE and substantiates the effective influence of the core nature in the dendrimer encapsulation efficiency.

Fabrication of core-shell micro/nanoparticles for programmable dual drug release by emulsion electrospraying

NASA Astrophysics Data System (ADS)

Wang, Yazhou; Zhang, Yiqiong; Wang, Bochu; Cao, Yang; Yu, Qingsong; Yin, Tieying

2013-06-01

The study aimed at constructing a novel drug delivery system for programmable multiple drug release controlled with core-shell structure. The core-shell structure consisted of chitosan nanoparticles as core and polyvinylpyrrolidone micro/nanocoating as shell to form core-shell micro/nanoparticles, which was fabricated by ionic gelation and emulsion electrospray methods. As model drug agents, Naproxen and rhodamine B were encapsulated in the core and shell regions, respectively. The core-shell micro/nanoparticles thus fabricated were characterized and confirmed by scanning electron microscope, transmission electron microscope, and fluorescence optical microscope. The core-shell micro/nanoparticles showed good release controllability through drug release experiment in vitro. It was noted that a programmable release pattern for dual drug agents was also achieved by adjusting their loading regions in the core-shell structures. The results indicate that emulsion electrospraying technology is a promising approach in fabrication of core-shell micro/nanoparticles for programmable dual drug release. Such a novel multi-drug delivery system has a potential application for the clinical treatment of cancer, tuberculosis, and tissue engineering.

Vibroacoustic Characterization of Corrugated-Core and Honeycomb-Core Sandwich Panels

NASA Technical Reports Server (NTRS)

Allen, Albert; Schiller, Noah

2016-01-01

The vibroacoustic characteristics of two candidate launch vehicle fairing structures, corrugated- core and honeycomb-core sandwich designs, were studied. The study of these structures has been motivated by recent risk reduction efforts focused on mitigating high noise levels within the payload bays of large launch vehicles during launch. The corrugated-core sandwich concept is of particular interest as a dual purpose structure due to its ability to harbor resonant noise control systems without appreciably adding mass or taking up additional volume. Specifically, modal information, wavelength dispersion, and damping were determined from a series of vibrometer measurements and subsequent analysis procedures carried out on two test panels. Numerical and analytical modeling techniques were also used to assess assumed material properties and to further illuminate underlying structural dynamic aspects. Results from the tests and analyses described herein may serve as a reference for additional vibroacoustic studies involving these or similar structures.

Core–shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

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

Wang, Xinqin; Cui, Yingqi; Zeng, Qun

The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe){sub x}@(CdSe){sub y} and their Zn-substituted complexes of x = 2–4 and y = 16–28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals,more » as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn–Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition–structure–property relationship for the design of core-shell CdSe and ZnSe nanoclusters.« less

GAS COOLED NUCLEAR REACTORS

DOEpatents

Long, E.; Rodwell, W.

1958-06-10

A gas-cooled nuclear reactor consisting of a graphite reacting core and reflector structure supported in a containing vessel is described. A gas sealing means is included for sealing between the walls of the graphite structure and containing vessel to prevent the gas coolant by-passing the reacting core. The reacting core is a multi-sided right prismatic structure having a pair of parallel slots around its periphery. The containing vessel is cylindrical and has a rib on its internal surface which supports two continuous ring shaped flexible web members with their radially innermost ends in sealing engagement within the radially outermost portion of the slots. The core structure is supported on ball bearings. This design permits thermal expansion of the core stracture and vessel while maintainirg a peripheral seal between the tvo elements.

Clustering algorithms for identifying core atom sets and for assessing the precision of protein structure ensembles.

PubMed

Snyder, David A; Montelione, Gaetano T

2005-06-01

An important open question in the field of NMR-based biomolecular structure determination is how best to characterize the precision of the resulting ensemble of structures. Typically, the RMSD, as minimized in superimposing the ensemble of structures, is the preferred measure of precision. However, the presence of poorly determined atomic coordinates and multiple "RMSD-stable domains"--locally well-defined regions that are not aligned in global superimpositions--complicate RMSD calculations. In this paper, we present a method, based on a novel, structurally defined order parameter, for identifying a set of core atoms to use in determining superimpositions for RMSD calculations. In addition we present a method for deciding whether to partition that core atom set into "RMSD-stable domains" and, if so, how to determine partitioning of the core atom set. We demonstrate our algorithm and its application in calculating statistically sound RMSD values by applying it to a set of NMR-derived structural ensembles, superimposing each RMSD-stable domain (or the entire core atom set, where appropriate) found in each protein structure under consideration. A parameter calculated by our algorithm using a novel, kurtosis-based criterion, the epsilon-value, is a measure of precision of the superimposition that complements the RMSD. In addition, we compare our algorithm with previously described algorithms for determining core atom sets. The methods presented in this paper for biomolecular structure superimposition are quite general, and have application in many areas of structural bioinformatics and structural biology.

Interfacial effect on the structural and optical properties of pure SnO2 and dual shells (ZnO; SiO2) coated SnO2 core-shell nanospheres for optoelectronic applications

NASA Astrophysics Data System (ADS)

Selvi, N.; Sankar, S.; Dinakaran, K.

2014-12-01

Nanocrystallites of SnO2 core and dual shells (ZnO, SiO2) coated SnO2 core-shell nanospheres were successfully synthesized by co-precipitation method. The as prepared and annealed samples were characterized by X-ray diffraction (XRD), Fourier Transform Infrared spectroscopy (FTIR), High resolution transmission electron microscopy (HRTEM) and UV-Vis analysis. XRD pattern confirms the obtained SnO2 core with tetragonal rutile crystalline structure and the shell ZnO with hexagonal structure. FTIR result shows the functional groups present in the samples. The spherical morphology and the formation of the core-shell structures have been confirmed by HRTEM measurements. The UV-Vis showed that band gap is red shifted for as-prepared and the shells coated core-shell samples. From this investigation it can be concluded that the surface modification with different metal and insulating oxides strongly influences the optical properties of the core-shell materials which enhance their potential applications towards optical devices fabrication.

Methanol oxidation reaction on core-shell structured Ruthenium-Palladium nanoparticles: Relationship between structure and electrochemical behavior

NASA Astrophysics Data System (ADS)

Kübler, Markus; Jurzinsky, Tilman; Ziegenbalg, Dirk; Cremers, Carsten

2018-01-01

In this work the relationship between structural composition and electrochemical characteristics of Palladium(Pd)-Ruthenium(Ru) nanoparticles during alkaline methanol oxidation reaction is investigated. The comparative study of a standard alloyed and a precisely Ru-core-Pd-shell structured catalyst allows for a distinct investigation of the electronic effect and the bifunctional mechanism. Core-shell catalysts benefit from a strong electronic effect and an efficient Pd utilization. It is found that core-shell nanoparticles are highly active towards methanol oxidation reaction for potentials ≥0.6 V, whereas alloyed catalysts show higher current outputs in the lower potential range. However, differential electrochemical mass spectrometry (DEMS) experiments reveal that the methanol oxidation reaction on core-shell structured catalysts proceeds via the incomplete oxidation pathway yielding formaldehyde, formic acid or methyl formate. Contrary, the alloyed catalyst benefits from the Ru atoms at its surface. Those are found to be responsible for high methanol oxidation activity at lower potentials as well as for complete oxidation of CH3OH to CO2 via the bifunctional mechanism. Based on these findings a new Ru-core-Pd-shell-Ru-terrace catalyst was synthesized, which combines the advantages of the core-shell structure and the alloy. This novel catalyst shows high methanol electrooxidation activity as well as excellent selectivity for the complete oxidation pathway.

Method Of Bonding A Metal Connection To An Electrode Including A Core Having A Fiber Or Foam Type Structure For An Electrochemical Cell, An

DOEpatents

Loustau, Marie-Therese; Verhoog, Roelof; Precigout, Claude

1996-09-24

A method of bonding a metal connection to an electrode including a core having a fiber or foam-type structure for an electrochemical cell, in which method at least one metal strip is pressed against one edge of the core and is welded thereto under compression, wherein, at least in line with the region in which said strip is welded to the core, which is referred to as the "main core", a retaining core of a type analogous to that of the main core is disposed prior to the welding.

Integrated-magnetic apparatus

NASA Technical Reports Server (NTRS)

Bloom, Gordon E. (Inventor)

1998-01-01

Disclosure is made of an integrated-magnetic apparatus, comprising: winding structure for insulatingly carrying at least two generally flat, laterally offset and spaced apart electrical windings of a power converter around an aperture; a core having a flat exterior face, an interior cavity and an un-gapped core-column that is located within the cavity and that passes through the aperture of the winding structure; flat-sided surface carried by the core and forming an interior chamber that is located adjacent to the flat face of the core and forming a core-column that has a gap and that is located within the chamber; and structure, located around the gapped core-column, for carrying a third electrical winding of the power converter. The first two electrical windings are substantially located within the cavity and are adapted to be transformingly coupled together through the core. The third electrical winding is adapted to be inductively coupled through the gapped core-column to the other electrical windings, and is phased to have the magnetic flux passing through the gapped core-column substantially in the same direction as the magnetic flux passing through the un-gapped core-column and to have substantially the same AC components of flux in the gapped core-column and in the un-gapped core-column.

Improvements on the interior structure of Mercury expected from geodesy measurements

NASA Astrophysics Data System (ADS)

Rivoldini, A.; van Hoolst, T.; Verhoeven, O.

2008-09-01

ABSTRACT We assess the improvements on the interior structure of Mercury provided by expected data from geodesy experiments to be performed with the MESSENGER and BepiColombo orbiters. The observation of obliquity will allow estimating the moment of inertia, whereas measurements of libration will determine the moment of inertia of the silicate shell (mantle and crust). Tidal measurements will constrain the Love numbers that characterize the response of Mercury to the solar tidal forcing. Here, we construct depth-dependent interior structure models of Mercury for several plausible chemical compositions of the core and of the mantle using recent data on core and mantle materials. In particular we study the core structure for different mantle mineralogies and two different temperature profiles. We investigate the influence of the core light element concentration, temperature, and melting law on core state and inner core size. We compute libration amplitude, obliquity, tidal deformation, and tidal changes in the external potential for our models.

Mode I Toughness Measurements of Core/Facesheet Bonds in Honeycomb Sandwich Structures

NASA Technical Reports Server (NTRS)

Nettles, Alan T.; Ratcliffe, James G.

2006-01-01

Composite sandwich structures will be used in many future applications in aerospace, marine and offshore industries due to the fact that the strength and stiffness to mass ratios surpass any other structural type. Sandwich structure also offers advantages over traditional stiffened panels such as ease of manufacturing and repair. During the last three decades, sandwich structure has been used extensively for secondary structure in aircraft (fuselage floors, rudders and radome structure). Sandwich structure is also used as primary structure in rotorcraft, the most common example being the trailing edge of rotor blades. As with other types of composite construction, sandwich structure exhibits several types of failure mode such as facesheet wrinkling, core crushing and sandwich buckling. Facesheet/core debonding has also been observed in the marine and aerospace industry. During this failure mode, peel stresses applied to an existing facesheet/core debond or an interface low in toughness, results in the facesheet being peeled from the core material, possibly leading to a significant loss in structural integrity of the sandwich panel. In an incident during a test on a liquid hydrogen fuel tank of the X-33 prototype vehicle, the outer graphite/epoxy facesheet and honeycomb core became debonded from the inner facesheet along significant areas, leading to failure of the tank. As a consequence of the accident; significant efforts were made to characterize the toughness of the facesheet/core bond. Currently, the only standardized method available for assessing the quality of the facesheet/core interface is the climbing drum peel test (ASTM D1781). During this test a sandwich beam is removed from a panel and the lip of one of the facesheets is attached to a drum, as shown in Fig. 1. The drum is then rotated along the sandwich beam, causing the facesheet to peel from the core. This method has two major drawbacks. First, it is not possible to obtain quantitative fracture data from the test and so the results can only be used in a qualitative manner. Second, only sandwich structure with thin facesheets can be tested (to facilitate wrapping of the facesheet around the climbing drum). In recognition of the need for a more quantitative facesheet/core fracture test, several workers have devised experimental techniques for characterizing the toughness of the facesheet/core interface. In all of these cases, the tests are designed to yield a mode I-dominated fracture toughness of the facesheet/core interface in a manner similar to that used to determine mode I fracture toughness of composite laminates. In the current work, a modified double cantilever beam is used to measure the mode I-dominated fracture toughness of the interface in a sandwich consisting of glass/phenolic honeycomb core reinforced with graphite epoxy facesheets. Two specimen configurations were tested as shown in Fig 2. The first configuration consisted of reinforcing the facesheets with aluminum blocks (Fig. 2a). In the second configuration unreinforced specimens were tested (Fig. 2b). Climbing drum peel tests were also conducted to compare the fracture behavior observed between this test and the modified double cantilever beam. This paper outlines the test procedures and data reduction strategies used to compute fracture toughness values from the tests. The effect of specimen reinforcement on fracture toughness of the facesheet/core interface is discussed.

Focused library with a core structure extracted from natural products and modified: application to phosphatase inhibitors and several biochemical findings.

PubMed

Hirai, Go; Sodeoka, Mikiko

2015-05-19

Synthesis of a focused library is an important strategy to create novel modulators of specific classes of proteins. Compounds in a focused library are composed of a common core structure and different diversity structures. In this Account, we describe our design and synthesis of libraries focused on selective inhibitors of protein phosphatases (PPases). We considered that core structures having structural and electronic features similar to those of PPase substrates, phosphate esters, would be a reasonable choice. Therefore, we extracted core structures from natural products already identified as PPase inhibitors. Since many PPases share similar active-site structures, such phosphate-mimicking core structures should interact with many enzymes in the same family, and therefore the choice of diversity structures is pivotal both to increase the binding affinity and to achieve specificity for individual enzymes. Here we present case studies of application of focused libraries to obtain PPase inhibitors, covering the overall process from selection of core structures to identification and evaluation of candidates in the focused libraries. To synthesize a library focused on protein serine-threonine phosphatases (PPs), we chose norcantharidin as a core structure, because norcantharidin dicarboxylate shows a broad inhibition profile toward several PPs. From the resulting focused library, we identified a highly selective PP2B inhibitor, NCA-01. On the other hand, to find inhibitors of dual-specificity protein phosphatases (DSPs), we chose 3-acyltetronic acid extracted from natural product RK-682 as a core structure, because its structure resembles the transition state in the dephosphorylation reaction of DSPs. However, a highly selective inhibitor was not found in the resulting focused library. Furthermore, an inherent drawback of compounds having the highly acidic 3-acyltetronic acid as a core structure is very weak potency in cellulo, probably due to poor cell membrane permeability. Therefore, we next modified the core structure from acidic to neutral by transformation to the enamine derivative and constructed a second-generation focused library (RE derivatives). The resulting compounds showed dramatically improved cell membrane permeability and inhibitory selectivity and included VHR (vaccinia VH1-related)-selective RE12 and CDC25A/B (cell division cycle 25A/B)-selective RE44. These inhibitors act on target enzymes in cellulo and do not generate reactive oxygen species, which is a potential problem with quinoid-type inhibitors of CDC25s. The cellular activity of RE12 was further improved by replacement of the side chain to afford RE176, which showed more potent antiproliferative activity than RE12 against HeLa cells. The dramatic change of inhibitory selectivity obtained by core structure modification from 3-acyltetronic acid to its enamine derivative was associated with a change in the mode of action. Namely, RE derivatives were found to be noncompetitive inhibitors with respect to a small-molecular substrate of CDC25A/B, whereas RK-682 was a competitive inhibitor of VHR. We identified the binding site of RE derivatives on the CDC25A as a pocket adjacent to the active site; this appears to be a promising target site for development of further novel inhibitors of CDC25s.

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

NASA Astrophysics Data System (ADS)

Guedes-Sobrinho, Diego; Chaves, Anderson S.; Piotrowski, Maurício J.; Da Silva, Juarez L. F.

2017-04-01

Although several studies have been reported for Pt55 and Au55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH3 (one lone pair of electrons) and SH2 (two lone pairs) on the relative stability of the Pt55 and Au55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt55) and 2.20 eV (Au55) lower in energy than the ICO model with Ih symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core+-surface-), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core+ and surface- contribute to break the symmetry in the ICO55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of triphenylphosphine (PPh3) molecules on Au55, in which the relative stability between ICO and DRC is the same as for PH3 and SH2. However, for Pt55, we found an inversion of stability due to the PPh3 ligand effects, where ICO has higher stability than DRC by 2.40 eV. Our insights are supported by several structural, electronic, and energetic analyses.

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters.

PubMed

Guedes-Sobrinho, Diego; Chaves, Anderson S; Piotrowski, Maurício J; Da Silva, Juarez L F

2017-04-28

Although several studies have been reported for Pt 55 and Au 55 nanoclusters, our atomistic understanding of the interplay between the adsorbate-surface interactions and the mechanisms that lead to the formation of the distorted reduced core (DRC) structures, instead of the icosahedron (ICO) structure in gas phase, is still far from satisfactory. Here, we report a density functional theory (DFT) investigation of the role of the adsorption effects of PH 3 (one lone pair of electrons) and SH 2 (two lone pairs) on the relative stability of the Pt 55 and Au 55 nanoclusters. In gas phase, we found that the DRC structures with 7 and 9 atoms in the core region are about 5.34 eV (Pt 55 ) and 2.20 eV (Au 55 ) lower in energy than the ICO model with I h symmetry and 13 atoms in the core region. However, the stability of the ICO structure increases by increasing the number of adsorbed molecules from 1 to 18, in which both DRC and ICO structures are nearly degenerate in energy at the limit of 18 ligands, which can be explained as follows. In gas phase, there is a strong compression of the cationic core region by the anionic surface atoms induced by the attractive Coulomb interactions (core + -surface - ), and hence, the strain release is obtained by reducing the number of atoms in the cationic core region, which leads to the 55 atoms distorted reduced core structures. Thus, the Coulomb interactions between the core + and surface - contribute to break the symmetry in the ICO 55 structure. On the other hand, the addition of ligands on the anionic surface reduces the charge transfer between the core and surface, which contributes to decrease the Coulomb interactions and the strain on the core region of the ICO structure, and hence, it stabilizes a compact ICO structure. The same conclusion is obtained by adding van der Waals corrections to the plain DFT calculations. Similar results are obtained by the addition of steric effects, which are considered through the adsorption of triphenylphosphine (PPh 3 ) molecules on Au 55 , in which the relative stability between ICO and DRC is the same as for PH 3 and SH 2 . However, for Pt 55 , we found an inversion of stability due to the PPh 3 ligand effects, where ICO has higher stability than DRC by 2.40 eV. Our insights are supported by several structural, electronic, and energetic analyses.

RNA chaperoning and intrinsic disorder in the core proteins of Flaviviridae.

PubMed

Ivanyi-Nagy, Roland; Lavergne, Jean-Pierre; Gabus, Caroline; Ficheux, Damien; Darlix, Jean-Luc

2008-02-01

RNA chaperone proteins are essential partners of RNA in living organisms and viruses. They are thought to assist in the correct folding and structural rearrangements of RNA molecules by resolving misfolded RNA species in an ATP-independent manner. RNA chaperoning is probably an entropy-driven process, mediated by the coupled binding and folding of intrinsically disordered protein regions and the kinetically trapped RNA. Previously, we have shown that the core protein of hepatitis C virus (HCV) is a potent RNA chaperone that can drive profound structural modifications of HCV RNA in vitro. We now examined the RNA chaperone activity and the disordered nature of core proteins from different Flaviviridae genera, namely that of HCV, GBV-B (GB virus B), WNV (West Nile virus) and BVDV (bovine viral diarrhoea virus). Despite low-sequence similarities, all four proteins demonstrated general nucleic acid annealing and RNA chaperone activities. Furthermore, heat resistance of core proteins, as well as far-UV circular dichroism spectroscopy suggested that a well-defined 3D protein structure is not necessary for core-induced RNA structural rearrangements. These data provide evidence that RNA chaperoning-possibly mediated by intrinsically disordered protein segments-is conserved in Flaviviridae core proteins. Thus, besides nucleocapsid formation, core proteins may function in RNA structural rearrangements taking place during virus replication.

RNA chaperoning and intrinsic disorder in the core proteins of Flaviviridae

PubMed Central

Ivanyi-Nagy, Roland; Lavergne, Jean-Pierre; Gabus, Caroline; Ficheux, Damien; Darlix, Jean-Luc

2008-01-01

RNA chaperone proteins are essential partners of RNA in living organisms and viruses. They are thought to assist in the correct folding and structural rearrangements of RNA molecules by resolving misfolded RNA species in an ATP-independent manner. RNA chaperoning is probably an entropy-driven process, mediated by the coupled binding and folding of intrinsically disordered protein regions and the kinetically trapped RNA. Previously, we have shown that the core protein of hepatitis C virus (HCV) is a potent RNA chaperone that can drive profound structural modifications of HCV RNA in vitro. We now examined the RNA chaperone activity and the disordered nature of core proteins from different Flaviviridae genera, namely that of HCV, GBV-B (GB virus B), WNV (West Nile virus) and BVDV (bovine viral diarrhoea virus). Despite low-sequence similarities, all four proteins demonstrated general nucleic acid annealing and RNA chaperone activities. Furthermore, heat resistance of core proteins, as well as far-UV circular dichroism spectroscopy suggested that a well-defined 3D protein structure is not necessary for core-induced RNA structural rearrangements. These data provide evidence that RNA chaperoning—possibly mediated by intrinsically disordered protein segments—is conserved in Flaviviridae core proteins. Thus, besides nucleocapsid formation, core proteins may function in RNA structural rearrangements taking place during virus replication. PMID:18033802

Preparation and biological activities of anti-HER2 monoclonal antibodies with fully core-fucosylated homogeneous bi-antennary complex-type glycans.

PubMed

Tsukimura, Wataru; Kurogochi, Masaki; Mori, Masako; Osumi, Kenji; Matsuda, Akio; Takegawa, Kaoru; Furukawa, Kiyoshi; Shirai, Takashi

2017-12-01

Recently, the absence of a core-fucose residue in the N-glycan has been implicated to be important for enhancing antibody-dependent cellular cytotoxicity (ADCC) activity of immunoglobulin G monoclonal antibodies (mAbs). Here, we first prepared anti-HER2 mAbs having two core-fucosylated N-glycan chains with the single G2F, G1aF, G1bF, or G0F structure, together with those having two N-glycan chains with a single non-core-fucosylated corresponding structure for comparison, and determined their biological activities. Dissociation constants of mAbs with core-fucosylated N-glycans bound to recombinant Fcγ-receptor type IIIa variant were 10 times higher than those with the non-core-fucosylated N-glycans, regardless of core glycan structures. mAbs with the core-fucosylated N-glycans had markedly reduced ADCC activities, while those with the non-core-fucosylated N-glycans had high activities. These results indicate that the presence of a core-fucose residue in the N-glycan suppresses the binding to the Fc-receptor and the induction of ADCC of anti-HER2 mAbs.

Structure modeling and manufacturing PCFs for the range of 2-25 μm

NASA Astrophysics Data System (ADS)

Lvov, Alexandr; Salimgareev, Dmitrii; Korsakov, Michail; Korsakov, Alexandr; Zhukova, Liya

2017-11-01

Photostable and flexible materials transparent at the wide spectral range are necessary for the development of optical fiber units. Solid solutions of silver and monadic thallium halides are the most suitable crystal media for this purpose. The goal of our research was the search of optimum structure for the fibers with a single mode operation and a rather large core diameter. We modelled fiber structures (solid-core, hollow-core, active-core PCF) with various ratio of inserts diameters and increments between the inserts, basing on two crystal systems: AgCl-AgBr and AgBr-TlI. Then we chose the single mode fiber structure and manufactured it by means of extrusion.

Inner Core Structure Behind the PKP Core Phase Triplication

NASA Astrophysics Data System (ADS)

Blom, N.; Paulssen, H.; Deuss, A. F.; Waszek, L.

2015-12-01

Despite its small size, the Earth's inner core plays an important role in the Earth's dynamics. Because it is slowly growing, its structure - and the variation thereof with depth - may reveal important clues about the history of the core, its convection and the resulting geodynamo. Learning more about this structure has been a prime effort in the past decades, leading to discoveries about anisotropy, hemispheres and heterogeneity in the inner core in general. In terms of detailed structure, mainly seismic body waves have contributed to these advances. However, at depths between ~100-200 km, the seismic structure is relatively poorly known. This is a result of the PKP core phase triplication and the existence of strong precursors to PKP phases, whose simultaneous arrival hinders the measurement of inner core waves PKIKP at epicentral distances between roughly 143-148°. As a consequence, the interpretation of deeper structure also remains difficult. To overcome these issues, we stack seismograms in slowness and time, separating PKP and PKIKP phases which arrive simultaneously, but with different slowness. We apply this method to study the inner core's Western hemisphere between South and Central America using paths travelling in the quasi-polar direction between epicentral distances of 140-150°. This enables us to measure PKiKP-PKIKP differential travel times up to greater epicentral distance than has previously been done. The resulting differential travel time residuals increase with epicentral distance, indicating a marked increase in seismic velocity with depth compared to reference model AK135 for the studied polar paths. Assuming a homogeneous outer core, these findings can be explained by either (i) inner core heterogeneity due to an increase in isotropic velocity, or (ii) increase in anisotropy over the studied depth range. Our current data set cannot distinguish between the two hypotheses, but in light of previous work we prefer the latter interpretation.

Elastic stability of cylindrical shells with soft elastic cores: Biomimicking natural tubular structures

NASA Astrophysics Data System (ADS)

Karam, Gebran Nizar

1994-01-01

Thin walled cylindrical shell structures are widespread in nature: examples include plant stems, porcupine quills, and hedgehog spines. All have an outer shell of almost fully dense material supported by a low density, cellular core. In nature, all are loaded in combination of axial compression and bending: failure is typically by buckling. Natural structures are often optimized. Here we have analyzed the elastic buckling of a thin cylindrical shell supported by an elastic core to show that this structural configuration achieves significant weight saving over a hollow cylinder. The results of the analysis are compared with data from an extensive experimental program on uniaxial compression and four point bending tests on silicone rubber shells with and without compliant foam cores. The analysis describes the results of the mechanical tests well. Characterization of the microstructures of several natural tubular structures with foamlike cores (plant stems, quills, and spines) revealed them to be close to the optimal configurations predicted by the analytical model. Biomimicking of natural cylindrical shell structures and evolutionary design processes may offer the potential to increase the mechanical efficiency of engineering cylindrical shells.

SPF/DB primary structure for supersonic aircraft (T-38 horizontal stabilizer)

NASA Technical Reports Server (NTRS)

Delmundo, A. R.; Mcquilkin, F. T.; Rivas, R. R.

1981-01-01

The structural integrity and potential cost savings of superplastic forming/diffusion bonding (SPF/DB) titanium structure for future Supersonic Cruise Research (SCR) and military aircraft primary structure applications was demonstrated. Using the horizontal stabilizer of the T-38 aircraft as a baseline, the structure was redesigned to the existing criteria and loads, using SPF/DB titanium technology. The general concept of using a full-depth sandwich structure which is attached to a steel spindle, was retained. Trade studies demonstrated that the optimum design should employ double-truss, sinewave core in the deepest section of the surface, making a transition to single-truss core in the thinner areas at the leading and trailing edges and at the tip. At the extreme thin edges of the surface, the single-truss core was changed to dot core to provide for gas passages during the SPF/DB process. The selected SPF/DB horizontal stabilizer design consisted of a one-piece SPF/DB sinewave truss core panel, a trunnion fitting, and reinforcing straps. The fitting and the straps were mechanically fastened to the SPF/DB panel.

Broadband absorption and enhanced photothermal conversion property of octopod-like Ag@Ag2S core@shell structures with gradually varying shell thickness.

PubMed

Jiang, Qian; Zeng, Wenxia; Zhang, Canying; Meng, Zhaoguo; Wu, Jiawei; Zhu, Qunzhi; Wu, Daxiong; Zhu, Haitao

2017-12-19

Photothermal conversion materials have promising applications in many fields and therefore they have attracted tremendous attention. However, the multi-functionalization of a single nanostructure to meet the requirements of multiple photothermal applications is still a challenge. The difficulty is that most nanostructures have specific absoprtion band and are not flexible to different demands. In the current work, we reported the synthesis and multi-band photothermal conversion of Ag@Ag 2 S core@shell structures with gradually varying shell thickness. We synthesized the core@shell structures through the sulfidation of Ag nanocubes by taking the advantage of their spatially different reactivity. The resulting core@shell structures show an octopod-like mopgorlogy with a Ag 2 S bulge sitting at each corner of the Ag nanocubes. The thickness of the Ag 2 S shell gradually increases from the central surface towards the corners of the structure. The synthesized core@shell structures show a broad band absorption spectrum from 300 to 1100 nm. Enhanced photothermal conversion effect is observed under the illuminations of 635, 808, and 1064 nm lasers. The results indicate that the octopod-like Ag@Ag 2 S core@shell structures have characteristics of multi-band photothermal conversion. The current work might provide a guidance for the design and synthesis of multifunctional photothermal conversion materials.

Magnetic spherical cores partly coated with periodic mesoporous organosilica single crystals.

PubMed

Li, Jing; Wei, Yong; Li, Wei; Deng, Yonghui; Zhao, Dongyuan

2012-03-07

Core-shell structured materials are of special significance in various applications. Until now, most reported core-shell structures have polycrystalline or amorphous coatings as their shell layers, with popular morphologies of microspheres or quasi-spheres. However, the single crystals, either mesoscale or atomic ones, are still rarely reported as shell layers. If single crystals can be coated on core materials, it would result in a range of new type core-shell structures with various morphologies, and probably more potential applications. In this work, we demonstrate that periodic mesoporous organosilica (PMO) single crystals can partly grow on magnetic microspheres to form incomplete Fe(3)O(4)@nSiO(2)@PMO core-shell materials in aqueous solution, which indeed is the first illustration that mesoporous single-crystal materials can be used as shell layers for preparation of core-shell materials. The achieved materials have advantages of high specific surface areas, good magnetic responses, embedded functional groups and cubic mesopore channels, which might provide them with various application conveniences. We suppose the partial growth is largely decided by the competition between growing tendency of single crystals and the resistances to this tendency. In principle, other single crystals, including a range of atomic single crystals, such as zeolites, are able to be developed into such core-shell structures.

Neutron Radiation Damage Estimation in the Core Structure Base Metal of RSG GAS

NASA Astrophysics Data System (ADS)

Santa, S. A.; Suwoto

2018-02-01

Radiation damage in core structure of the Indonesian RGS GAS multi purpose reactor resulting from the reaction of fast and thermal neutrons with core material structure was investigated for the first time after almost 30 years in operation. The aim is to analyze the degradation level of the critical components of the RSG GAS reactor so that the remaining life of its component can be estimated. Evaluation results of critical components remaining life will be used as data ccompleteness for submission of reactor operating permit extension. Material damage analysis due to neutron radiation is performed for the core structure components made of AlMg3 material and bolts reinforcement of core structure made of SUS304. Material damage evaluation was done on Al and Fe as base metal of AlMg3 and SUS304, respectively. Neutron fluences are evaluated based on the assumption that neutron flux calculations of U3Si8-Al equilibrium core which is operated on power rated of 15 MW. Calculation result using SRAC2006 code of CITATION module shows the maximum total neutron flux and flux >0.1 MeV are 2.537E+14 n/cm2/s and 3.376E+13 n/cm2/s, respectively. It was located at CIP core center close to the fuel element. After operating up to the end of #89 core formation, the total neutron fluence and fluence >0.1 MeV were achieved 9.063E+22 and 1.269E+22 n/cm2, respectively. Those are related to material damage of Al and Fe as much as 17.91 and 10.06 dpa, respectively. Referring to the life time of Al-1100 material irradiated in the neutron field with thermal flux/total flux=1.7 which capable of accepting material damage up to 250 dpa, it was concluded that RSG GAS reactor core structure underwent 7.16% of its operating life span. It means that core structure of RSG GAS reactor is still capable to receive the total neutron fluence of 9.637E+22 n/cm2 or fluence >0.1 MeV of 5.672E+22 n/cm2.

Honeycomb-laminate composite structure

NASA Technical Reports Server (NTRS)

Gilwee, W. J., Jr.; Parker, J. A. (Inventor)

1977-01-01

A honeycomb-laminate composite structure was comprised of: (1) a cellular core of a polyquinoxaline foam in a honeycomb structure, and (2) a layer of a noncombustible fibrous material impregnated with a polyimide resin laminated on the cellular core. A process for producing the honeycomb-laminate composite structure and articles containing the honeycomb-laminate composite structure is described.

TRFolder-W: a web server for telomerase RNA structure prediction in yeast genomes.

PubMed

Zhang, Dong; Xue, Xingran; Malmberg, Russell L; Cai, Liming

2012-10-15

TRFolder-W is a web server capable of predicting core structures of telomerase RNA (TR) in yeast genomes. TRFolder is a command-line Python toolkit for TR-specific structure prediction. We developed a web-version built on the django web framework, leveraging the work done previously, to include enhancements to increase flexibility of usage. To date, there are five core sub-structures commonly found in TR of fungal species, which are the template region, downstream pseudoknot, boundary element, core-closing stem and triple helix. The aim of TRFolder-W is to use the five core structures as fundamental units to predict potential TR genes for yeast, and to provide a user-friendly interface. Moreover, the application of TRFolder-W can be extended to predict the characteristic structure on species other than fungal species. The web server TRFolder-W is available at http://rna-informatics.uga.edu/?f=software&p=TRFolder-w.

Malfunction of Nuclease ERCC1-XPF Results in Diverse Clinical Manifestations and Causes Cockayne Syndrome, Xeroderma Pigmentosum, and Fanconi Anemia

PubMed Central

Kashiyama, Kazuya; Nakazawa, Yuka; Pilz, Daniela T.; Guo, Chaowan; Shimada, Mayuko; Sasaki, Kensaku; Fawcett, Heather; Wing, Jonathan F.; Lewin, Susan O.; Carr, Lucinda; Li, Tao-Sheng; Yoshiura, Koh-ichiro; Utani, Atsushi; Hirano, Akiyoshi; Yamashita, Shunichi; Greenblatt, Danielle; Nardo, Tiziana; Stefanini, Miria; McGibbon, David; Sarkany, Robert; Fassihi, Hiva; Takahashi, Yoshito; Nagayama, Yuji; Mitsutake, Norisato; Lehmann, Alan R.; Ogi, Tomoo

2013-01-01

Cockayne syndrome (CS) is a genetic disorder characterized by developmental abnormalities and photodermatosis resulting from the lack of transcription-coupled nucleotide excision repair, which is responsible for the removal of photodamage from actively transcribed genes. To date, all identified causative mutations for CS have been in the two known CS-associated genes, ERCC8 (CSA) and ERCC6 (CSB). For the rare combined xeroderma pigmentosum (XP) and CS phenotype, all identified mutations are in three of the XP-associated genes, ERCC3 (XPB), ERCC2 (XPD), and ERCC5 (XPG). In a previous report, we identified several CS cases who did not have mutations in any of these genes. In this paper, we describe three CS individuals deficient in ERCC1 or ERCC4 (XPF). Remarkably, one of these individuals with XP complementation group F (XP-F) had clinical features of three different DNA-repair disorders—CS, XP, and Fanconi anemia (FA). Our results, together with those from Bogliolo et al., who describe XPF alterations resulting in FA alone, indicate a multifunctional role for XPF. PMID:23623389

Malfunction of nuclease ERCC1-XPF results in diverse clinical manifestations and causes Cockayne syndrome, xeroderma pigmentosum, and Fanconi anemia.

PubMed

Kashiyama, Kazuya; Nakazawa, Yuka; Pilz, Daniela T; Guo, Chaowan; Shimada, Mayuko; Sasaki, Kensaku; Fawcett, Heather; Wing, Jonathan F; Lewin, Susan O; Carr, Lucinda; Li, Tao-Sheng; Yoshiura, Koh-ichiro; Utani, Atsushi; Hirano, Akiyoshi; Yamashita, Shunichi; Greenblatt, Danielle; Nardo, Tiziana; Stefanini, Miria; McGibbon, David; Sarkany, Robert; Fassihi, Hiva; Takahashi, Yoshito; Nagayama, Yuji; Mitsutake, Norisato; Lehmann, Alan R; Ogi, Tomoo

2013-05-02

Cockayne syndrome (CS) is a genetic disorder characterized by developmental abnormalities and photodermatosis resulting from the lack of transcription-coupled nucleotide excision repair, which is responsible for the removal of photodamage from actively transcribed genes. To date, all identified causative mutations for CS have been in the two known CS-associated genes, ERCC8 (CSA) and ERCC6 (CSB). For the rare combined xeroderma pigmentosum (XP) and CS phenotype, all identified mutations are in three of the XP-associated genes, ERCC3 (XPB), ERCC2 (XPD), and ERCC5 (XPG). In a previous report, we identified several CS cases who did not have mutations in any of these genes. In this paper, we describe three CS individuals deficient in ERCC1 or ERCC4 (XPF). Remarkably, one of these individuals with XP complementation group F (XP-F) had clinical features of three different DNA-repair disorders--CS, XP, and Fanconi anemia (FA). Our results, together with those from Bogliolo et al., who describe XPF alterations resulting in FA alone, indicate a multifunctional role for XPF. Copyright © 2013 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Extremely high energy hadron and gamma-ray families(3). Core structure of the halo of superfamily

NASA Technical Reports Server (NTRS)

Yamashita, S.; Ohsawa, A.; Chinellato, J. A.; Shibuya, E. H.

1985-01-01

The study of the core structure seen in the halo of Mini-Andromeda 3(M.A.3), which was observed in the Chacaltaya emulsion chamber, is presented. On the assumption that lateral distribution of darkness of the core is exponential type, i.e., D=D0exp(-R/r0), subtraction of D from halo darkness is performed until the cores are gone. The same quantity on cores obtained by this way are summarized. The analysis is preliminary and is going to be developed.

Nuclear reactor apparatus

DOEpatents

Wade, Elman E.

1978-01-01

A lifting, rotating and sealing apparatus for nuclear reactors utilizing rotating plugs above the nuclear reactor core. This apparatus permits rotation of the plugs to provide under the plug refueling of a nuclear core. It also provides a means by which positive top core holddown can be utilized. Both of these operations are accomplished by means of the apparatus lifting the top core holddown structure off the nuclear core while stationary, and maintaining this structure in its elevated position during plug rotation. During both of these operations, the interface between the rotating member and its supporting member is sealingly maintained.

Insights into Mercury's interior structure from geodesy measurements

NASA Astrophysics Data System (ADS)

Rivoldini, A.; Van Hoolst, T.; Trinh, A.

2013-09-01

The measurements of the gravitational field of Mercury by MESSENGER [1] and improved measurements of the spin state of Mercury [2] provide important constraints on the interior structure of Mercury. In particular, these data give strong constraints on the radius and density of Mercury's core and on the core's concentration of sulfur if sulfur is the only light element in the core [3]. Although sulfur is ubiquitously invoked as being the principal candidate light element in terrestrial planet's cores its abundance in the core depends on the redox conditions during planetary formation. MESSENGER data from remote sensing of Mercury's surface [4] indicate a high abundance of sulfur and confirm the low abundance in FeO supporting the hypotheses that Mercury formed under reducing conditions [5]. Therefore, substantial amounts of other light elements like for instance silicon could be present together with sulfur inside Mercury's core. Unlike sulfur, which does almost not partition into solid iron under Mercury's core pressure and temperature conditions, silicon partitions virtually equally between solid and liquid iron. Thus, if silicon is the only light element inside the core, the density jump at the inner-core outer-core boundary is significantly smaller if compared to an Fe - FeS core. If both silicon and sulfur are present inside Mercury's core then as a consequence of a large immiscibility region in liquid Fe - Si - S at Mercury's core conditions and for specific concentrations of light elements [6] a thin layer much enriched in sulfur and depleted in silicon could form at the top of the core. In this study we analyze interior structure models with silicon as the only light element in the core and with both silicon and sulfur in the core. Compared to models with Fe - FeS both settings have different mass distributions within their cores and will likely deform differently due to different elastic properties. Consequently their libration and tides will be different. Here we will use the measured 88 day libration amplitude and polar moment of inertia of Mercury in order to constrain the interior structure of both settings and calculate their tides.

High-resolution probing of inner core structure with seismic interferometry

NASA Astrophysics Data System (ADS)

Huang, Hsin-Hua; Lin, Fan-Chi; Tsai, Victor C.; Koper, Keith D.

2015-12-01

Increasing complexity of Earth's inner core has been revealed in recent decades as the global distribution of seismic stations has improved. The uneven distribution of earthquakes, however, still causes a biased geographical sampling of the inner core. Recent developments in seismic interferometry, which allow for the retrieval of core-sensitive body waves propagating between two receivers, can significantly improve ray path coverage of the inner core. In this study, we apply such earthquake coda interferometry to 1846 USArray stations deployed across the U.S. from 2004 through 2013. Clear inner core phases PKIKP2 and PKIIKP2 are observed across the entire array. Spatial analysis of the differential travel time residuals between the two phases reveals significant short-wavelength variation and implies the existence of strong structural variability in the deep Earth. A linear N-S trending anomaly across the middle of the U.S. may reflect an asymmetric quasi-hemispherical structure deep within the inner core with boundaries of 99°W and 88°E.

Identification of both copy number variation-type and constant-type core elements in a large segmental duplication region of the mouse genome

PubMed Central

2013-01-01

Background Copy number variation (CNV), an important source of diversity in genomic structure, is frequently found in clusters called CNV regions (CNVRs). CNVRs are strongly associated with segmental duplications (SDs), but the composition of these complex repetitive structures remains unclear. Results We conducted self-comparative-plot analysis of all mouse chromosomes using the high-speed and large-scale-homology search algorithm SHEAP. For eight chromosomes, we identified various types of large SD as tartan-checked patterns within the self-comparative plots. A complex arrangement of diagonal split lines in the self-comparative-plots indicated the presence of large homologous repetitive sequences. We focused on one SD on chromosome 13 (SD13M), and developed SHEPHERD, a stepwise ab initio method, to extract longer repetitive elements and to characterize repetitive structures in this region. Analysis using SHEPHERD showed the existence of 60 core elements, which were expected to be the basic units that form SDs within the repetitive structure of SD13M. The demonstration that sequences homologous to the core elements (>70% homology) covered approximately 90% of the SD13M region indicated that our method can characterize the repetitive structure of SD13M effectively. Core elements were composed largely of fragmented repeats of a previously identified type, such as long interspersed nuclear elements (LINEs), together with partial genic regions. Comparative genome hybridization array analysis showed that whereas 42 core elements were components of CNVR that varied among mouse strains, 8 did not vary among strains (constant type), and the status of the others could not be determined. The CNV-type core elements contained significantly larger proportions of long terminal repeat (LTR) types of retrotransposon than the constant-type core elements, which had no CNV. The higher divergence rates observed in the CNV-type core elements than in the constant type indicate that the CNV-type core elements have a longer evolutionary history than constant-type core elements in SD13M. Conclusions Our methodology for the identification of repetitive core sequences simplifies characterization of the structures of large SDs and detailed analysis of CNV. The results of detailed structural and quantitative analyses in this study might help to elucidate the biological role of one of the SDs on chromosome 13. PMID:23834397

Shaped nanocrystal particles and methods for making the same

DOEpatents

Alivisatos, A Paul [Oakland, CA; Scher, Erik C [Menlo Park, CA; Manna, Liberato [Berkeley, CA

2011-11-22

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped nanocrystal particles and methods for making the same

DOEpatents

Alivisatos, A. Paul; Scher, Erik C; Manna, Liberato

2013-12-17

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped nanocrystal particles and methods for working the same

DOEpatents

Alivisatos, A. Paul; Sher, Eric C.; Manna, Liberato

2007-12-25

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Shaped Nonocrystal Particles And Methods For Making The Same

DOEpatents

Alivisatos, A. Paul; Scher, Erik C.; Manna, Liberato

2005-02-15

Shaped nanocrystal particles and methods for making shaped nanocrystal particles are disclosed. One embodiment includes a method for forming a branched, nanocrystal particle. It includes (a) forming a core having a first crystal structure in a solution, (b) forming a first arm extending from the core having a second crystal structure in the solution, and (c) forming a second arm extending from the core having the second crystal structure in the solution.

Modeling Multiple-Core Updraft Plume Rise for an Aerial Ignition Prescribed Burn by Coupling Daysmoke with a Cellular Automata Fire Model

Treesearch

G. L Achtemeier; S. L. Goodrick; Y. Liu

2012-01-01

Smoke plume rise is critically dependent on plume updraft structure. Smoke plumes from landscape burns (forest and agricultural burns) are typically structured into “sub-plumes” or multiple-core updrafts with the number of updraft cores depending on characteristics of the landscape, fire, fuels, and weather. The number of updraft cores determines the efficiency of...

Process to make core-shell structured nanoparticles

DOEpatents

Luhrs, Claudia; Phillips, Jonathan; Richard, Monique N

2014-01-07

Disclosed is a process for making a composite material that contains core-shell structured nanoparticles. The process includes providing a precursor in the form of a powder a liquid and/or a vapor of a liquid that contains a core material and a shell material, and suspending the precursor in an aerosol gas to produce an aerosol containing the precursor. In addition, the process includes providing a plasma that has a hot zone and passing the aerosol through the hot zone of the plasma. As the aerosol passes through the hot zone of the plasma, at least part of the core material and at least part of the shell material in the aerosol is vaporized. Vapor that contains the core material and the shell material that has been vaporized is removed from the hot zone of the plasma and allowed to condense into core-shell structured nanoparticles.

Density-based cluster algorithms for the identification of core sets

NASA Astrophysics Data System (ADS)

Lemke, Oliver; Keller, Bettina G.

2016-10-01

The core-set approach is a discretization method for Markov state models of complex molecular dynamics. Core sets are disjoint metastable regions in the conformational space, which need to be known prior to the construction of the core-set model. We propose to use density-based cluster algorithms to identify the cores. We compare three different density-based cluster algorithms: the CNN, the DBSCAN, and the Jarvis-Patrick algorithm. While the core-set models based on the CNN and DBSCAN clustering are well-converged, constructing core-set models based on the Jarvis-Patrick clustering cannot be recommended. In a well-converged core-set model, the number of core sets is up to an order of magnitude smaller than the number of states in a conventional Markov state model with comparable approximation error. Moreover, using the density-based clustering one can extend the core-set method to systems which are not strongly metastable. This is important for the practical application of the core-set method because most biologically interesting systems are only marginally metastable. The key point is to perform a hierarchical density-based clustering while monitoring the structure of the metric matrix which appears in the core-set method. We test this approach on a molecular-dynamics simulation of a highly flexible 14-residue peptide. The resulting core-set models have a high spatial resolution and can distinguish between conformationally similar yet chemically different structures, such as register-shifted hairpin structures.

Method of manufacturing positive nickel hydroxide electrodes

DOEpatents

Gutjahr, M.A.; Schmid, R.; Beccu, K.D.

1975-12-16

A method of manufacturing a positive nickel hydroxide electrode is discussed. A highly porous core structure of organic material having a fibrous or reticular texture is uniformly coated with nickel powder and then subjected to a thermal treatment which provides sintering of the powder coating and removal of the organic core material. A consolidated, porous nickel support structure is thus produced which has substantially the same texture and porosity as the initial core structure. To provide the positive electrode including the active mass, nickel hydroxide is deposited in the pores of the nickel support structure.

Iron silicides at pressures of the Earth's inner core

NASA Astrophysics Data System (ADS)

Zhang, Feiwu; Oganov, Artem R.

2010-01-01

The Earth's core is expected to contain around 10 wt % light elements (S, Si, O, possibly C, H, etc.) alloyed with Fe and Ni. Very little is known about these alloys at pressures and temperatures of the core. Here, using the evolutionary crystal structure prediction methodology, we investigate Fe-Si compounds at pressures of up to 400 GPa, i.e. covering the pressure range of the Earth's core. Evolutionary simulations correctly find that at atmospheric pressure the known non-trivial structure with P213 symmetry is stable, while at pressures above 20 GPa the CsCl-type structure is stable. We show that among the possible Fe silicides (Fe3Si, Fe2Si, Fe5Si3, FeSi, FeSi2 and FeSi3) only FeSi with CsCl-type structure is thermodynamically stable at core pressures, while the other silicides are unstable to decomposition into Fe + FeSi or FeSi + Si. This is consistent with previous works and suggests that Si impurities contribute to stabilization of the body-centered cubic phase of Fe in the inner core.

Controlled Synthesis of Pd/Pt Core Shell Nanoparticles Using Area-selective Atomic Layer Deposition

PubMed Central

Cao, Kun; Zhu, Qianqian; Shan, Bin; Chen, Rong

2015-01-01

We report an atomic scale controllable synthesis of Pd/Pt core shell nanoparticles (NPs) via area-selective atomic layer deposition (ALD) on a modified surface. The method involves utilizing octadecyltrichlorosilane (ODTS) self-assembled monolayers (SAMs) to modify the surface. Take the usage of pinholes on SAMs as active sites for the initial core nucleation, and subsequent selective deposition of the second metal as the shell layer. Since new nucleation sites can be effectively blocked by surface ODTS SAMs in the second deposition stage, we demonstrate the successful growth of Pd/Pt and Pt/Pd NPs with uniform core shell structures and narrow size distribution. The size, shell thickness and composition of the NPs can be controlled precisely by varying the ALD cycles. Such core shell structures can be realized by using regular ALD recipes without special adjustment. This SAMs assisted area-selective ALD method of core shell structure fabrication greatly expands the applicability of ALD in fabricating novel structures and can be readily applied to the growth of NPs with other compositions. PMID:25683469

Inner Core Imaging Using P'P'

NASA Astrophysics Data System (ADS)

Day, E. A.; Ward, J. A.; Bastow, I. D.; Irving, J. C. E.

2016-12-01

The Earth's inner core is a surprisingly complex region of our planet. Simple models of inner core solidification and evolution would lead us to expect a layered structure, which has "frozen in" in information about the state of the core at the time of solidification. However, seismic observations of Earth's inner core are not dominated by a radial "tree-ring" like pattern, but instead have revealed a hemispherical dichotomy in addition to depth dependent variations. There is a degree-one structure in isotropic and anisotropic velocities and in attenuation between the so-called eastern and western hemispheres of the inner core, with different depth distributions proposed for these varying phenomena. A range of mechanisms have been proposed to explain the hemispherical differences. These include models that require differences between the two hemispheres at the time of formation, post-solidification texturing, convection in the inner core, or hybrid mechanisms. Regional observations of the inner core suggest that a simple division between East and West may not be able to fully capture the structure present in the inner core. More detailed seismic observations will help us to understand the puzzle of the inner core's evolution. In this study we focus on updating observations of the seismic phase P'P', an inner core sensitive body wave with a more complex path than those typically used to study the inner core. By making new measurements of P'P' we illuminate new regions of the core with a high frequency phase that is sensitive to small scale structures. We examine the differential travel times of the different branches of P'P' (PKIKPPKIKP and PKPPKP), comparing the arrival time of inner core turning branch, P'P'df, with the arrival times of branches that turn in the outer core. P'P' is a relatively small amplitude phase, so we use both linear and non-linear stacking methods to make observations of the P'P' signals. These measurements are sensitive to the broad scale hemispherical pattern of anisotropy in the inner core as well as smaller scale variations.

Structural Color Tuning: Mixing Melanin-Like Particles with Different Diameters to Create Neutral Colors.

PubMed

Kawamura, Ayaka; Kohri, Michinari; Yoshioka, Shinya; Taniguchi, Tatsuo; Kishikawa, Keiki

2017-04-18

We present the ability to tune structural colors by mixing colloidal particles. To produce high-visibility structural colors, melanin-like core-shell particles composed of a polystyrene (PSt) core and a polydopamine (PDA) shell, were used as components. The results indicated that neutral structural colors could be successfully obtained by simply mixing two differently sized melanin-like PSt@PDA core-shell particles. In addition, the arrangements of the particles, which were important factors when forming structural colors, were investigated by mathematical processing using a 2D Fourier transform technique and Voronoi diagrams. These findings provide new insights for the development of structural color-based ink applications.

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures

PubMed Central

Manolakos, Elias S.

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub. PMID:26605332

Glycosylation with ribitol-phosphate in mammals: New insights into the O-mannosyl glycan.

PubMed

Manya, Hiroshi; Endo, Tamao

2017-10-01

O-mannosyl glycans have been found in a limited number of glycoproteins of the brain, nerves, and skeletal muscles, particularly in α-dystroglycan (α-DG). Defects in O-mannosyl glycan on α-DG are the primary cause of a group of congenital muscular dystrophies, which are collectively termed α-dystroglycanopathy. Recent studies have revealed various O-mannosyl glycan structures, which can be classified as core M1, core M2, and core M3 glycans. Although many dystroglycanopathy genes are involved in core M3 processing, the structure and biosynthesis of core M3 glycan remains only partially understood. This review presents recent findings about the structure, biosynthesis, and pathology of O-mannosyl glycans. Recent studies have revealed that the entire structure of core M3 glycan, including ribitol-5-phosphate, is a novel structure in mammals; its unique biosynthetic pathway has been elucidated by the identification of new causative genes for α-dystroglycanopathies and their functions. O-mannosyl glycan has a novel, unique structure that is important for the maintenance of brain and muscle functions. These findings have opened up a new field in glycoscience. These studies will further contribute to the understanding of the pathomechanism of α-dystroglycanopathy and the development of glycotherapeutics. This article is part of a Special Issue entitled Neuro-glycoscience, edited by Kenji Kadomatsu and Hiroshi Kitagawa. Copyright © 2017 Elsevier B.V. All rights reserved.

Efficient Multicriteria Protein Structure Comparison on Modern Processor Architectures.

PubMed

Sharma, Anuj; Manolakos, Elias S

2015-01-01

Fast increasing computational demand for all-to-all protein structures comparison (PSC) is a result of three confounding factors: rapidly expanding structural proteomics databases, high computational complexity of pairwise protein comparison algorithms, and the trend in the domain towards using multiple criteria for protein structures comparison (MCPSC) and combining results. We have developed a software framework that exploits many-core and multicore CPUs to implement efficient parallel MCPSC in modern processors based on three popular PSC methods, namely, TMalign, CE, and USM. We evaluate and compare the performance and efficiency of the two parallel MCPSC implementations using Intel's experimental many-core Single-Chip Cloud Computer (SCC) as well as Intel's Core i7 multicore processor. We show that the 48-core SCC is more efficient than the latest generation Core i7, achieving a speedup factor of 42 (efficiency of 0.9), making many-core processors an exciting emerging technology for large-scale structural proteomics. We compare and contrast the performance of the two processors on several datasets and also show that MCPSC outperforms its component methods in grouping related domains, achieving a high F-measure of 0.91 on the benchmark CK34 dataset. The software implementation for protein structure comparison using the three methods and combined MCPSC, along with the developed underlying rckskel algorithmic skeletons library, is available via GitHub.

Zirconium(IV) oxide: New coating material for nanoresonators for shell-isolated nanoparticle-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Krajczewski, Jan; Abdulrahman, Heman Burhanalden; Kołątaj, Karol; Kudelski, Andrzej

2018-03-01

One tool that can be used for determining the structure and composition of surfaces of various materials (even in in situ conditions) is shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). In SHINERS measurements, the surface under investigation is covered with a layer of surface-protected plasmonic nanoparticles, and then the Raman spectrum of the surface analysed is recorded. The plasmonic cores of the used core-shell structures act as electromagnetic nanoresonators, significantly locally enhancing the intensity of the electric field of the incident radiation, leading to a large increase in the efficiency of the generation of the Raman signal from molecules in the close proximity to the deposited SHINERS nanoresonators. A protective layer (from transparent dielectrics such as SiO2, Al2O3 or TiO2) prevents direct interaction between the plasmonic metal and the analysed surface (such interactions may lead to changes in the structure of the surface) and, in the case of plasmonic cores other than gold cores, the dielectric layer increases the chemical stability of the metal core. In this contribution, we show for the first time that core-shell nanoparticles having a silver core (both a solid and hollow one) and a shell of zirconium(IV) oxide are very efficient SHINERS nanoresonators that are significantly more stable in acidic and alkaline media than the silver-silica core-shell structures typically used for SHINERS experiments.

Full-Color Biomimetic Photonic Materials with Iridescent and Non-Iridescent Structural Colors

PubMed Central

Kawamura, Ayaka; Kohri, Michinari; Morimoto, Gen; Nannichi, Yuri; Taniguchi, Tatsuo; Kishikawa, Keiki

2016-01-01

The beautiful structural colors in bird feathers are some of the brightest colors in nature, and some of these colors are created by arrays of melanin granules that act as both structural colors and scattering absorbers. Inspired by the color of bird feathers, high-visibility structural colors have been created by altering four variables: size, blackness, refractive index, and arrangement of the nano-elements. To control these four variables, we developed a facile method for the preparation of biomimetic core-shell particles with melanin-like polydopamine (PDA) shell layers. The size of the core-shell particles was controlled by adjusting the core polystyrene (PSt) particles’ diameter and the PDA shell thicknesses. The blackness and refractive index of the colloidal particles could be adjusted by controlling the thickness of the PDA shell. The arrangement of the particles was controlled by adjusting the surface roughness of the core-shell particles. This method enabled the production of both iridescent and non-iridescent structural colors from only one component. This simple and novel process of using core-shell particles containing PDA shell layers can be used in basic research on structural colors in nature and their practical applications. PMID:27658446

Full-Color Biomimetic Photonic Materials with Iridescent and Non-Iridescent Structural Colors.

PubMed

Kawamura, Ayaka; Kohri, Michinari; Morimoto, Gen; Nannichi, Yuri; Taniguchi, Tatsuo; Kishikawa, Keiki

2016-09-23

The beautiful structural colors in bird feathers are some of the brightest colors in nature, and some of these colors are created by arrays of melanin granules that act as both structural colors and scattering absorbers. Inspired by the color of bird feathers, high-visibility structural colors have been created by altering four variables: size, blackness, refractive index, and arrangement of the nano-elements. To control these four variables, we developed a facile method for the preparation of biomimetic core-shell particles with melanin-like polydopamine (PDA) shell layers. The size of the core-shell particles was controlled by adjusting the core polystyrene (PSt) particles' diameter and the PDA shell thicknesses. The blackness and refractive index of the colloidal particles could be adjusted by controlling the thickness of the PDA shell. The arrangement of the particles was controlled by adjusting the surface roughness of the core-shell particles. This method enabled the production of both iridescent and non-iridescent structural colors from only one component. This simple and novel process of using core-shell particles containing PDA shell layers can be used in basic research on structural colors in nature and their practical applications.

The Structural Changes of Tropical Cyclones Upon Interaction with Vertical Wind Shear

NASA Technical Reports Server (NTRS)

Ritchie, Elizabeth A.

2003-01-01

The Fourth Convection and Moisture Experiment (CAMEX-4) provided a unique opportunity to observe the distributions and document the roles of important atmospheric factors that impact the development of the core asymmetries and core structural changes of tropical cyclones embedded in vertical wind shear. The state-of-the-art instruments flown on the NASA DC-8 and ER-2, in addition to those on the NOAA aircraft, provided a unique set of observations that documented the core structure throughout the depth of the tropical cyclone. These data have been used to conduct a combined observational and modeling study using a state-of-the-art, high- resolution mesoscale model to examine the role of the environmental vertical wind shear in producing tropical cyclone core asymmetries, and the effects on the structure and intensity of tropical cyclones.The scientific objectives of this study were to obtain in situ measurements that would allow documentation of the physical mechanisms that influence the development of the asymmetric convection and its effect on the core structure of the tropical cyclone.

Core structure of two-dimensional Fermi gas vortices in the BEC-BCS crossover region

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

Madeira, Lucas; Gandolfi, Stefano; Schmidt, Kevin E.

2017-05-02

We report T = 0 diffusion Monte Carlo results for the ground-state and vortex excitation of unpolarized spin-1/2 fermions in a two-dimensional disk. We investigate how vortex core structure properties behave over the BEC-BCS crossover. We calculate the vortex excitation energy, density pro les, and vortex core properties related to the current. We nd a density suppression at the vortex core on the BCS side of the crossover and a depleted core on the BEC limit. Size-effect dependencies in the disk geometry were carefully studied.

Natural cork agglomerate employed as an environmentally friendly solution for quiet sandwich composites.

PubMed

Sargianis, James; Kim, Hyung-ick; Suhr, Jonghwan

2012-01-01

Carbon fiber-synthetic foam core sandwich composites are widely used for many structural applications due to their superior mechanical performance and low weight. Unfortunately these structures typically have very poor acoustic performance. There is increasingly growing demand in mitigating this noise issue in sandwich composite structures. This study shows that marrying carbon fiber composites with natural cork in a sandwich structure provides a synergistic effect yielding a noise-free sandwich composite structure without the sacrifice of mechanical performance or weight. Moreover the cork-core sandwich composites boast a 250% improvement in damping performance, providing increased durability and lifetime operation. Additionally as the world seeks environmentally friendly materials, the harvesting of cork is a natural, renewable process which reduces subsequent carbon footprints. Such a transition from synthetic foam cores to natural cork cores could provide unprecedented improvements in acoustic and vibrational performance in applications such as aircraft cabins or wind turbine blades.

Rare-Earth-Free Permanent Magnets for Electrical Vehicle Motors and Wind Turbine Generators: Hexagonal Symmetry Based Materials Systems Mn-Bi and M-type Hexaferrite

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

Hong, Yang-Ki; Haskew, Timothy; Myryasov, Oleg

2014-06-05

The research we conducted focuses on the rare-earth (RE)-free permanent magnet by modeling, simulating, and synthesizing exchange coupled two-phase (hard/soft) RE-free core-shell nano-structured magnet. The RE-free magnets are made of magnetically hard core materials (high anisotropy materials including Mn-Bi-X and M-type hexaferrite) coated by soft shell materials (high magnetization materials including Fe-Co or Co). Therefore, our research helps understand the exchange coupling conditions of the core/shell magnets, interface exchange behavior between core and shell materials, formation mechanism of core/shell structures, stability conditions of core and shell materials, etc.

Magnetic nuclear core restraint and control

DOEpatents

Cooper, Martin H.

1979-01-01

A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

Magnetic nuclear core restraint and control

DOEpatents

Cooper, Martin H.

1978-01-01

A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

Gram-level synthesis of core-shell structured catalysts for the oxygen reduction reaction in proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Luo, Mingchuan; Wei, Lingli; Wang, Fanghui; Han, Kefei; Zhu, Hong

2014-12-01

Over the past decade, Pt based core-shell structured alloys have been studied extensively as oxygen reduction reaction (ORR) catalysts for proton exchange membrane fuel cells (PEMFCs) because of their distinctive electrochemical performance and low Pt loading. In this paper, a facile route based on microwave-assisted polyol method and chemical dealloying process is proposed to synthesize carbon supported core-shell structured nanoparticles (NPs) in gram-level for ORR electrocatalysis in PEMFCs. The obtained samples are characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDX), inductively coupled plasma atomic emission spectroscopy (ICP-AES), and X-ray photoelectron spectroscopy (XPS). These physical characterization indicate that the final synthesized NPs are highly dispersed on the carbon support, and in a core-shell structure with CuPt alloy as the core and Pt as the shell. Electrochemical measurements, conducted by cyclic voltammetry (CV) and rotating disk electrode (RDE) tests, show the core-shell structured catalyst exhibit a 3× increase in mass activity and a 2× increase in specific activity over the commercial Pt/C catalyst, respectively. These results demonstrate that this route can be a reliable way to synthesize low-Pt catalyst in large-scale for PEMFCs.

Formation of an Anti-Core–Shell Structure in Layered Oxide Cathodes for Li-Ion Batteries

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

Zhang, Hanlei; Omenya, Fredrick; Whittingham, M. Stanley

The layered → rock-salt phase transformation in the layered dioxide cathodes for Li-ion batteries is believed to result in a “core-shell” structure of the primary particles, in which the core region maintains as the layered phase while the surface region undergoes the phase transformation to the rock-salt phase. Using transmission electron microscopy, here we demonstrate the formation of an “anti-core-shell” structure in cycled primary particles with a formula of LiNi0.80Co0.15Al0.05O2, in which the surface and subsurface regions remain as the layered structure while the rock-salt phase forms as domains in the bulk with a thin layer of the spinel phasemore » between the rock-salt core and the skin of the layered phase. Formation of this anti-core-shell structure is attributed to the oxygen loss at the surface that drives the migration of oxygen from the bulk to the surface, thereby resulting in localized areas of significantly reduced oxygen levels in the bulk of the particle, which subsequently undergoes the phase transformation to the rock-salt domains. The formation of the anti-core-shell rock-salt domains is responsible for the reduced capacity, discharge voltage and ionic conductivity in cycled cathode.« less

Redefining the modular organization of the core Mediator complex.

PubMed

Wang, Xuejuan; Sun, Qianqian; Ding, Zhenrui; Ji, Jinhua; Wang, Jianye; Kong, Xiao; Yang, Jianghong; Cai, Gang

2014-07-01

The Mediator complex plays an essential role in the regulation of eukaryotic transcription. The Saccharomyces cerevisiae core Mediator comprises 21 subunits, which are organized into Head, Middle and Tail modules. Previously, the Head module was assigned to a distinct dense domain at the base, and the Middle and Tail modules were identified to form a tight structure above the Head module, which apparently contradicted findings from many biochemical and functional studies. Here, we compared the structures of the core Mediator and its subcomplexes, especially the first 3D structure of the Head + Middle modules, which permitted an unambiguous assignment of the three modules. Furthermore, nanogold labeling pinpointing four Mediator subunits from different modules conclusively validated the modular assignment, in which the Head and Middle modules fold back on one another and form the upper portion of the core Mediator, while the Tail module forms a distinct dense domain at the base. The new modular model of the core Mediator has reconciled the previous inconsistencies between the structurally and functionally defined Mediator modules. Collectively, these analyses completely redefine the modular organization of the core Mediator, which allow us to integrate the structural and functional information into a coherent mechanism for the Mediator's modularity and regulation in transcription initiation.

Redefining the modular organization of the core Mediator complex

PubMed Central

Wang, Xuejuan; Sun, Qianqian; Ding, Zhenrui; Ji, Jinhua; Wang, Jianye; Kong, Xiao; Yang, Jianghong; Cai, Gang

2014-01-01

The Mediator complex plays an essential role in the regulation of eukaryotic transcription. The Saccharomyces cerevisiae core Mediator comprises 21 subunits, which are organized into Head, Middle and Tail modules. Previously, the Head module was assigned to a distinct dense domain at the base, and the Middle and Tail modules were identified to form a tight structure above the Head module, which apparently contradicted findings from many biochemical and functional studies. Here, we compared the structures of the core Mediator and its subcomplexes, especially the first 3D structure of the Head + Middle modules, which permitted an unambiguous assignment of the three modules. Furthermore, nanogold labeling pinpointing four Mediator subunits from different modules conclusively validated the modular assignment, in which the Head and Middle modules fold back on one another and form the upper portion of the core Mediator, while the Tail module forms a distinct dense domain at the base. The new modular model of the core Mediator has reconciled the previous inconsistencies between the structurally and functionally defined Mediator modules. Collectively, these analyses completely redefine the modular organization of the core Mediator, which allow us to integrate the structural and functional information into a coherent mechanism for the Mediator's modularity and regulation in transcription initiation. PMID:24810298

Improvement of open and semi-open core wall system in tall buildings by closing of the core section in the last story

NASA Astrophysics Data System (ADS)

Kheyroddin, A.; Abdollahzadeh, D.; Mastali, M.

2014-09-01

Increasing number of tall buildings in urban population caused development of tall building structures. One of the main lateral load resistant systems is core wall system in high-rise buildings. Core wall system has two important behavioral aspects where the first aspect is related to reduce the lateral displacement by the core bending resistance and the second is governed by increasing of the torsional resistance and core warping of buildings. In this study, the effects of closed section core in the last story have been considered on the behavior of models. Regarding this, all analyses were performed by ETABS 9.2.v software (Wilson and Habibullah). Considering (a) drift and rotation of the core over height of buildings, (b) total and warping stress in the core body, (c) shear in beams due to warping stress, (d) effect of closing last story on period of models in various modes, (e) relative displacement between walls in the core system and (f) site effects in far and near field of fault by UBC97 spectra on base shear coefficient showed that the bimoment in open core is negative in the last quarter of building and it is similar to wall-frame structures. Furthermore, analytical results revealed that closed section core in the last story improves behavior of the last quarter of structure height, since closing of core section in the last story does not have significant effect on reducing base shear value in near and far field of active faults.

Structure of screw dislocation core in Ta at high pressure

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

Wang, Shaofeng, E-mail: sfwang@cqu.edu.cn; Jiang, Na; Wang, Rui

2014-03-07

The core structure and Peierls stress of the 1/2 〈111〉(110) screw dislocation in Ta have been investigated theoretically using the modified Peierls–Nabarro theory that takes into account the discreteness effect of crystal. The lattice constants, the elastic properties, and the generalized-stacking-fault energy(γ-surface) under the different pressures have been calculated from the electron density functional theory. The core structure of dislocation is determined by the modified Peierls equation, and the Peierls stress is evaluated from the dislocation energy that varies periodically as dislocation moves. The results show the core width and Peierls stress in Ta are weakly dependent of the pressuremore » up to 100 GPa when the length and stress are measured separately by the Burgers vector b and shear modulus μ. This indicates that core structure is approximately scaling invariant for the screw dislocation in Ta. The scaled plasticity of Ta changes little in high pressure environment.« less

Modified ferrite core-shell nanoparticles magneto-structural characterization

NASA Astrophysics Data System (ADS)

Klekotka, Urszula; Piotrowska, Beata; Satuła, Dariusz; Kalska-Szostko, Beata

2018-06-01

In this study, ferrite nanoparticles with core-shell structures and different chemical compositions of both the core and shell were prepared with success. Proposed nanoparticles have in the first and second series magnetite core, and the shell is composed of a mixture of ferrites with Fe3+, Fe2+ and M ions (where M = Co2+, Mn2+ or Ni2+) with a general composition of M0.5Fe2.5O4. In the third series, the composition is inverted, the core is composed of a mixture of ferrites and as a shell magnetite is placed. Morphology and structural characterization of nanoparticles were done using Transmission Electron Microscopy (TEM), X-ray diffraction (XRD), and Infrared spectroscopy (IR). While room temperature magnetic properties were measured using Mössbauer spectroscopy (MS). It is seen from Mössbauer measurements that Co always increases hyperfine magnetic field on Fe atoms at RT, while Ni and Mn have opposite influences in comparison to pure Fe ferrite, regardless of the nanoparticles structure.

Rapid Synthesis and Formation Mechanism of Core-Shell-Structured La-Doped SrTiO3 with a Nb-Doped Shell

PubMed Central

Park, Nam-Hee; Akamatsu, Takafumi; Itoh, Toshio; Izu, Noriya; Shin, Woosuck

2015-01-01

To provide a convenient and practical synthesis process for metal ion doping on the surface of nanoparticles in an assembled nanostructure, core-shell-structured La-doped SrTiO3 nanocubes with a Nb-doped surface layer were synthesized via a rapid synthesis combining a rapid sol-precipitation and hydrothermal process. The La-doped SrTiO3 nanocubes were formed at room temperature by a rapid dissolution of NaOH pellets during the rapid sol-precipitation process, and the Nb-doped surface (shell) along with Nb-rich edges formed on the core nanocubes via the hydrothermal process. The formation mechanism of the core-shell-structured nanocubes and their shape evolution as a function of the Nb doping level were investigated. The synthesized core-shell-structured nanocubes could be arranged face-to-face on a SiO2/Si substrate by a slow evaporation process, and this nanostructured 10 μm thick thin film showed a smooth surface. PMID:28793420

Evolution of structural diversity of trichothecene mycotoxins

USDA-ARS?s Scientific Manuscript database

Fungal secondary metabolites (SMs) are diverse in structure and biological activity. Most can be divided into families of analogs that share a core structure but vary in patterns of functional groups (substituents) attached to the core. Typically, fungal genes responsible for synthesis of the same S...

Wide-field Infrared Polarimetry of the ρ Ophiuchi Cloud Core

NASA Astrophysics Data System (ADS)

Kwon, Jungmi; Tamura, Motohide; Hough, James H.; Nakajima, Yasushi; Nishiyama, Shogo; Kusakabe, Nobuhiko; Nagata, Tetsuya; Kandori, Ryo

2015-09-01

We conducted wide and deep simultaneous JHKs-band imaging polarimetry of the ρ Ophiuchi cloud complex. Aperture polarimetry in the JHKs band was conducted for 2136 sources in all three bands, of which 322 sources have significant polarizations in all the JHKs bands and have been used for a discussion of the core magnetic fields. There is a positive correlation between degrees of polarization and H - Ks color up to H - Ks ≈ 3.5. The magnetic field structures in the core region are revealed up to at least AV ≈ 47 mag and are unambiguously defined in each sub-region (core) of Oph-A, Oph-B, Oph-C, Oph-E, Oph-F, and Oph-AC. Their directions, degrees of polarization, and polarization efficiencies differ but their changes are gradual; thus, the magnetic fields appear to be connected from core to core, rather than as a simple overlap of the different cloud core components. Comparing our results with the large-scale field structures obtained from previous optical polarimetric studies, we suggest that the magnetic field structures in the core were distorted by the cluster formation in this region, which may have been induced by shock compression due to wind/radiation from the Scorpius-Centaurus association.

Conformational changes accompany activation of reovirus RNA-dependent RNA transcription

PubMed Central

Mendez, Israel I.; Weiner, Scott G.; She, Yi-Min; Yeager, Mark; Coombs, Kevin M.

2009-01-01

Many critical biologic processes involve dynamic interactions between proteins and nucleic acids. Such dynamic processes are often difficult to delineate by conventional static methods. For example, while a variety of nucleic acid polymerase structures have been determined at atomic resolution, the details of how some multi-protein transcriptase complexes actively produce mRNA, as well as conformational changes associated with activation of such complexes, remain poorly understood. The mammalian reovirus innermost capsid (core) manifests all enzymatic activities necessary to produce mRNA from each of the 10 encased double-stranded RNA genes. We used rapid freezing and electron cryo-microscopy to trap and visualize transcriptionally active reovirus core particles and compared them to inactive core images. Rod-like density centered within actively transcribing core spike channels was attributed to exiting nascent mRNA. Comparative radial density plots of active and inactive core particles identified several structural changes in both internal and external regions of the icosahedral core capsid. Inactive and transcriptionally active cores were partially digested with trypsin and identities of initial tryptic peptides determined by mass spectrometry. Differentially-digested peptides, which also suggest transcription-associated conformational changes, were placed within the known 3-dimensional structures of major core proteins. PMID:18321727

The Fuzziness of Giant Planets’ Cores

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

Helled, Ravit; Stevenson, David

2017-05-01

Giant planets are thought to have cores in their deep interiors, and the division into a heavy-element core and hydrogen–helium envelope is applied in both formation and structure models. We show that the primordial internal structure depends on the planetary growth rate, in particular, the ratio of heavy elements accretion to gas accretion. For a wide range of likely conditions, this ratio is in one-to-one correspondence with the resulting post-accretion profile of heavy elements within the planet. This flux ratio depends sensitively on the assumed solid-surface density in the surrounding nebula. We suggest that giant planets’ cores might not bemore » distinct from the envelope and includes some hydrogen and helium, and the deep interior can have a gradual heavy-element structure. Accordingly, Jupiter’s core may not be well defined. Accurate measurements of Jupiter’s gravitational field by Juno could put constraints on Jupiter’s core mass. However, as we suggest here, the definition of Jupiter’s core is complex, and the core’s physical properties (mass, density) depend on the actual definition of the core and on the planet’s growth history.« less

Low loss, high and low index contrast waveguides in semiconductors

DOEpatents

Bond, Tiziana [Livermore, CA; Cole, Garrett [Berkeley, CA; Goddard, Lynford [Champaign, IL; Kallman, Jeff [Pleasanton, CA

2011-08-09

A system in one general embodiment includes a waveguide structure comprising a core of an alloy of Group III-V materials surrounded by an oxide (which may include one or more Group III-V metals), wherein an interface of the oxide and core is characterized by oxidation of the alloy for defining the core. A method in one general approach includes oxidizing a waveguide structure comprising an alloy of Group III-V materials for forming a core of the alloy surrounded by an oxide.

Fabrication of SiO2@ZrO2@Y2O3:Eu3+ core-multi-shell structured phosphor.

PubMed

Gao, Xuan; He, Diping; Jiao, Huan; Chen, Juan; Meng, Xin

2011-08-01

ZrO2 interface was designed to block the reaction between SiO2 and Y2O3 in SiO2@Y2O3:Eu coreshell structure phosphor. SiO2@ZrO2@Y2O3:Eu core-multi-shell phosphors were successfully synthesized by combing an LBL method with a Sol-gel process. Based on electron microscopy, X-ray diffraction, and spectroscopy experiments, compelling evidence for the formation of the Y2O3:Eu outer shell on ZrO2 were presented. The presence of ZrO2 layer on SiO2 core can block the reaction of SiO2 core and Y2O3 shell effectively. By this kind of structure, the reaction temperature of the SiO2 core and Y2O3 shell in the SiO2@Y2O3:Eu core-shell structure phosphor can be increased about 200-300 degrees C and the luminescent intensity of this structure phosphor can be improved obviously. Under the excitation of ultraviolet (254 nm), the Eu3+ ion mainly shows its characteristic red (611 nm, 5D0-7F2) emissions in the core-multi-shell particles from Y2O3:Eu3+ shells. The emission intensity of Eu3+ ions can be tuned by the annealing temperatures, the number of coating times, and the thickness of ZrO2 interface, respectively.

Core design for use with precision composite reflectors

NASA Technical Reports Server (NTRS)

Porter, Christopher C. (Inventor); Jacoy, Paul J. (Inventor); Schmitigal, Wesley P. (Inventor)

1992-01-01

A uniformly flexible core, and method for manufacturing the same, is disclosed for use between the face plates of a sandwich structure. The core is made of a plurality of thin corrugated strips, the corrugations being defined by a plurality of peaks and valleys connected to one another by a plurality of diagonal risers. The corrugated strips are orthogonally criss-crossed to form the core. The core is particularly suitable for use with high accuracy spherically curved sandwich structures because undesirable stresses in the curved face plates are minimized due to the uniform flexibility characteristics of the core in both the X and Y directions. The core is self venting because of the open geometry of the corrugations. The core can be made from any suitable composite, metal, or polymer. Thermal expansion problems in sandwich structures may be minimized by making the core from the same composite materials that are selected in the manufacture of the curved face plates because of their low coefficients of thermal expansion. Where the strips are made of a composite material, the core may be constructed by first cutting an already cured corrugated sheet into a plurality of corrugated strips and then secondarily bonding the strips to one another or, alternatively, by lying a plurality of uncured strips orthogonally over one another in a suitable jig and then curing and bonding the entire plurality of strips to one another in a single operation.

Dock 'n roll: folding of a silk-inspired polypeptide into an amyloid-like beta solenoid.

PubMed

Zhao, Binwu; Cohen Stuart, Martien A; Hall, Carol K

2016-04-20

Polypeptides containing the motif ((GA)mGX)n occur in silk and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two hydrophobic shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II' β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state.

Visual detection of gas shows from coal core and cuttings using liquid leak detector

USGS Publications Warehouse

Barker, C.E.

2006-01-01

Portions of core or cutting samples that have active gas shows can be identified by applying a liquid leak detector to the core surface. Although these gas shows can be caused by manmade changes to the coals' internal structure and surface of the core during the coring process, in many cases, the marked gas shows overlie changes in maceral composition, subtle fractures or coal, coal structure and so forth that seemingly are places where natural primary permeability is higher and gas shows would be favored. Given the limited time available for core description before a core is closed in a canister, using the liquid leak detector method to mark gas shows enhances core description by providing a photographic record of places of apparently increased gas flow likely related to enhanced coal permeability that cannot be easily detected otherwise.

Design and analysis of three-layer-core optical fiber

NASA Astrophysics Data System (ADS)

Zheng, Siwen; Liu, Yazhuo; Chang, Guangjian

2018-03-01

A three-layer-core single-mode large-mode-area fiber is investigated. The three-layer structure in the core, which is composed of a core-index layer, a cladding-index layer, and a depression-index layer, could achieve a large effective area Aeff while maintaining an ultralow bending loss without deteriorating cutoff behaviors. The single-mode large mode area of 100 to 330 μm2 could be achieved in the fiber. The effective area Aeff can be further enlarged by adjusting the layer parameters. Furthermore, the bending property could be improved in this three-layer-core structure. The bending loss could decrease by 2 to 4 orders of magnitude compared with the conventional step-index fiber with the same Aeff. These characteristics of three-layer-core fiber suggest that it can be used in large-mode-area wide-bandwidth high-capacity transmission or high-power optical fiber laser and amplifier in optical communications, which could be used for the basic physical layer structure of big data storage, reading, calculation, and transmission applications.

Single-mode annular chirally-coupled core fibers for fiber lasers

NASA Astrophysics Data System (ADS)

Zhang, Haitao; Hao, He; He, Linlu; Gong, Mali

2018-03-01

Chirally-coupled core (CCC) fiber can transmit single fundamental mode and effectively suppresses higher-order mode (HOM) propagation, thus improve the beam quality. However, the manufacture of CCC fiber is complicated due to its small side core. To decrease the manufacture difficulty in China, a novel fiber structure is presented, defined as annular chirally-coupled core (ACCC) fiber, replacing the small side core by a larger side annulus. In this paper, we designed the fiber parameters of this new structure, and demonstrated that the new structure has a similar property of single mode with traditional CCC fiber. Helical coordinate system was introduced into the finite element method (FEM) to analyze the mode field in the fiber, and the beam propagation method (BPM) was employed to analyze the influence of the fiber parameters on the mode loss. Based on the result above, the fiber structure was optimized for efficient single-mode transmission, in which the core diameter is 35 μm with beam quality M2 value of 1.04 and an optical to optical conversion efficiency of 84%. In this fiber, fundamental mode propagates in an acceptable loss, while the HOMs decay rapidly.

Automated podosome identification and characterization in fluorescence microscopy images.

PubMed

Meddens, Marjolein B M; Rieger, Bernd; Figdor, Carl G; Cambi, Alessandra; van den Dries, Koen

2013-02-01

Podosomes are cellular adhesion structures involved in matrix degradation and invasion that comprise an actin core and a ring of cytoskeletal adaptor proteins. They are most often identified by staining with phalloidin, which binds F-actin and therefore visualizes the core. However, not only podosomes, but also many other cytoskeletal structures contain actin, which makes podosome segmentation by automated image processing difficult. Here, we have developed a quantitative image analysis algorithm that is optimized to identify podosome cores within a typical sample stained with phalloidin. By sequential local and global thresholding, our analysis identifies up to 76% of podosome cores excluding other F-actin-based structures. Based on the overlap in podosome identifications and quantification of podosome numbers, our algorithm performs equally well compared to three experts. Using our algorithm we show effects of actin polymerization and myosin II inhibition on the actin intensity in both podosome core and associated actin network. Furthermore, by expanding the core segmentations, we reveal a previously unappreciated differential distribution of cytoskeletal adaptor proteins within the podosome ring. These applications illustrate that our algorithm is a valuable tool for rapid and accurate large-scale analysis of podosomes to increase our understanding of these characteristic adhesion structures.

The Metabolic Core and Catalytic Switches Are Fundamental Elements in the Self-Regulation of the Systemic Metabolic Structure of Cells

PubMed Central

De la Fuente, Ildefonso M.; Cortes, Jesus M.; Perez-Pinilla, Martin B.; Ruiz-Rodriguez, Vicente; Veguillas, Juan

2011-01-01

Background Experimental observations and numerical studies with dissipative metabolic networks have shown that cellular enzymatic activity self-organizes spontaneously leading to the emergence of a metabolic core formed by a set of enzymatic reactions which are always active under all environmental conditions, while the rest of catalytic processes are only intermittently active. The reactions of the metabolic core are essential for biomass formation and to assure optimal metabolic performance. The on-off catalytic reactions and the metabolic core are essential elements of a Systemic Metabolic Structure which seems to be a key feature common to all cellular organisms. Methodology/Principal Findings In order to investigate the functional importance of the metabolic core we have studied different catalytic patterns of a dissipative metabolic network under different external conditions. The emerging biochemical data have been analysed using information-based dynamic tools, such as Pearson's correlation and Transfer Entropy (which measures effective functionality). Our results show that a functional structure of effective connectivity emerges which is dynamical and characterized by significant variations of bio-molecular information flows. Conclusions/Significance We have quantified essential aspects of the metabolic core functionality. The always active enzymatic reactions form a hub –with a high degree of effective connectivity- exhibiting a wide range of functional information values being able to act either as a source or as a sink of bio-molecular causal interactions. Likewise, we have found that the metabolic core is an essential part of an emergent functional structure characterized by catalytic modules and metabolic switches which allow critical transitions in enzymatic activity. Both, the metabolic core and the catalytic switches in which also intermittently-active enzymes are involved seem to be fundamental elements in the self-regulation of the Systemic Metabolic Structure. PMID:22125607

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Synthesis and in vitro transfection efficiency of spermine-based cationic lipids with different central core structures and lipophilic tails.

PubMed

Niyomtham, Nattisa; Apiratikul, Nuttapon; Suksen, Kanoknetr; Opanasopit, Praneet; Yingyongnarongkul, Boon-Ek

2015-02-01

Twelve spermine-based cationic lipids with four different central core structures (di(oxyethyl)amino, di(oxyethyl)amino carboxy, 3-amino-1,2-dioxypropyl and 2-amino-1,3-dioxypropyl) and three hydrophobic tails (lauric acid, myristic acid and palmitic acid) were synthesized. The liposomes containing lipids and DOPE showed moderate to good in vitro DNA delivery into HeLa cells. GFP expression experiments revealed that liposomes composed of lipids with 3-amino-1,2-dioxypropyl as a central core structure exhibited highest transfection efficiency under serum-free condition. Whereas, lipid with 2-amino-1,3-dioxypropyl core structure showed highest transfection under 10% serum condition. Moreover, the liposomes and lipoplexes composted of these cationic lipids exhibited low cytotoxicity. Copyright © 2015. Published by Elsevier Ltd.

Continuous-Flow MOVPE of Ga-Polar GaN Column Arrays and Core-Shell LED Structures

NASA Astrophysics Data System (ADS)

Wang, Xue; Li, Shunfeng; Mohajerani, Matin Sadat; Ledig, Johannes; Wehmann, Hergo-Heinrich; Mandl, Martin; Strassburg, Martin; Steegmüller, Ulrich; Jahn, Uwe; Lähnemann, Jonas; Riechert, Henning; Griffiths, Ian; Cherns, David; Waag, Andreas

2013-06-01

Arrays of dislocation free uniform Ga-polar GaN columns have been realized on patterned SiOx/GaN/sapphire templates by metal organic vapor phase epitaxy using a continuous growth mode. The key parameters and the physical principles of growth of Ga-polar GaN three-dimensional columns are identified, and their potential for manipulating the growth process is discussed. High aspect ratio columns have been achieved using silane during the growth, leading to n-type columns. The vertical growth rate increases with increasing silane flow. In a core-shell columnar LED structure, the shells of InGaN/GaN multi quantum wells and p-GaN have been realized on a core of n-doped GaN column. Cathodoluminescence gives insight into the inner structure of these core-shell LED structures.

Cationic niosomes an effective gene carrier composed of novel spermine-derivative cationic lipids: effect of central core structures.

PubMed

Opanasopit, Praneet; Leksantikul, Lalita; Niyomtham, Nattisa; Rojanarata, Theerasak; Ngawhirunpat, Tanasait; Yingyongnarongkul, Boon-Ek

2017-05-01

Cationic niosomes formulated from Span 20, cholesterol (Chol) and novel spermine-based cationic lipids of multiple central core structures (di(oxyethyl)amino, di(oxyethyl)amino carboxy, 3-amino-1,2-dioxypropyl and 2-amino-1,3-dioxypropyl) were successfully prepared for improving transfection efficiency in vitro. The niosomes composed of spermine cationic lipid with central core structure of di(oxyethyl)amino revealed the highest gene transfection efficiency. To investigate the factors affecting gene transfection and cell viability including differences in the central core structures of cationic lipids, the composition of vesicles, molar ratio of cationic lipids in formulations and the weight ratio of niosomes to DNA. Cationic niosomes composed of nonionic surfactants (Span20), cholesterol and spermine-based cationic lipids of multiple central core structures were formulated. Gene transfection and cell viability were evaluated on a human cervical carcinoma cell line (HeLa cells) using pDNA encoding green fluorescent protein (pEGFP-C2). The morphology, size and charge were also characterized. High transfection efficiency was obtained from cationic niosomes composed of Span20:Chol:cationic lipid at the molar ratio of 2.5:2.5:0.5 mM. Cationic lipids with di(oxyethyl)amino as a central core structure exhibited highest transfection efficiency. In addition, there was also no serum effect on transfection efficiency. These novel cationic niosomes may constitute a good alternative carrier for gene transfection.

Evanescent field characteristics of eccentric core optical fiber for distributed sensing.

PubMed

Liu, Jianxia; Yuan, Libo

2014-03-01

Fundamental core-mode cutoff and evanescent field are considered for an eccentric core optical fiber (ECOF). A method has been proposed to calculate the core-mode cutoff by solving the eigenvalue equations of an ECOF. Using conformal mapping, the asymmetric geometrical structure can be transformed into a simple, easily solved axisymmetric optical fiber with three layers. The variation of the fundamental core-mode cut-off frequency (V(c)) is also calculated with different eccentric distances, wavelengths, core radii, and coating refractive indices. The fractional power of evanescent fields for ECOF is also calculated with the eccentric distances and coating refractive indices. These calculations are necessary to design the structural parameters of an ECOF for long-distance, single-mode distributed evanescent field absorption sensors.

REACTOR UNLOADING

DOEpatents

Leverett, M.C.

1958-02-18

This patent is related to gas cooled reactors wherein the fuel elements are disposed in vertical channels extending through the reactor core, the cooling gas passing through the channels from the bottom to the top of the core. The invention is a means for unloading the fuel elements from the core and comprises dump values in the form of flat cars mounted on wheels at the bottom of the core structure which support vertical stacks of fuel elements. When the flat cars are moved, either manually or automatically, for normal unloading purposes, or due to a rapid rise in the reproduction ratio within the core, the fuel elements are permtted to fall by gravity out of the core structure thereby reducing the reproduction ratio or stopping the reaction as desired.

Flexural Behavior of Aluminum Honeycomb Core Sandwich Structure

NASA Astrophysics Data System (ADS)

Matta, Vidyasagar; Kumar, J. Suresh; Venkataraviteja, Duddu; Reddy, Guggulla Bharath Kumar

2017-05-01

This project is concerned with the fabrication and flexural testing of aluminium honey comb sandwich structure which is a special case of composite materials that is fabricated by attaching two thin but stiff skins to a light weight but thick core. The core material is normally low density material but its high thickness provide the sandwich composite with high bonding stiffness. Honeycomb core are classified into two types based on the materials and structures. Hexagonal shape has a unique properties i.e has more bonding strength and less formation time based on the cell size and sheet thickness. Sandwich structure exhibit different properties such as high load bearing capacity at low weight and has excellent thermal insulation. By considering the above properties it has tendency to minimize the structural problem. So honey comb sandwich structure is choosed. The core structure has a different applications such as aircraft, ship interiors, construction industries. As there is no proper research on strength characteristics of sandwich structure. So, we use light weight material to desire the strength. There are different parameters involved in this structure i.e cell size, sheet thickness and core height. In this project we considered 3 level of comparison among the 3 different parameters cell size of 4, 6 and 8 mm, sheet thickness of 0.3, 0.5 and 0.7 mm, and core height of 20,25 and 30 mm. In order to reduce the number of experiment we use taguchi design of experiment, and we select the L8 orthogonal array is the best array for this type of situation, which clearly identifies the parameters by independent of material weight to support this we add the minitab software, to identify the main effective plots and regression equation which involves the individual response and corresponding parameters. Aluminium material is used for the fabrication of Honeycomb sandwich structure among the various grades of aluminium we consider the AL6061 which is light weight material and has more strength. By the power press used as forming method we fabricate the honey comb core and stacking the sheets with adhesive as epoxy resin or laser beam welding and sandwich structure will form with two face sheets. Then the specimen is taken to be tested to know the flexural behaviour by the flexural test as 3 point and 4 pont bend test. After testing of two different tests then we get the force vs displacement curve by this we can know the maximum force and by loading configurations and its displacement or deflection then we can calculate flexural stiffness and core shear modulus by the variation of three parameters. Our ultimate aim is to achieve maximum strength by minimum weight.

Vaccinia Virus Mutations in the L4R Gene Encoding a Virion Structural Protein Produce Abnormal Mature Particles Lacking a Nucleocapsid

PubMed Central

Moussatche, Nissin; Condit, Richard C.

2014-01-01

ABSTRACT Electron micrographs from the 1960s revealed the presence of an S-shaped tubular structure in the center of the vaccinia virion core. Recently, we showed that packaging of virus transcription enzymes is necessary for the formation of the tubular structure, suggesting that the structure is equivalent to a nucleocapsid. Based on this study and on what is known about nucleocapsids of other viruses, we hypothesized that in addition to transcription enzymes, the tubular structure also contains the viral DNA and a structural protein as a scaffold. The vaccinia virion structural protein L4 stands out as the best candidate for the role of a nucleocapsid structural protein because it is abundant, it is localized in the center of the virion core, and it binds DNA. In order to gain more insight into the structure and relevance of the nucleocapsid, we analyzed thermosensitive and inducible mutants in the L4R gene. Using a cryo-fixation method for electron microscopy (high-pressure freezing followed by freeze-substitution) to preserve labile structures like the nucleocapsid, we were able to demonstrate that in the absence of functional L4, mature particles with defective internal structures are produced under nonpermissive conditions. These particles do not contain a nucleocapsid. In addition, the core wall of these virions is abnormal. This suggests that the nucleocapsid interacts with the core wall and that the nucleocapsid structure might be more complex than originally assumed. IMPORTANCE The vaccinia virus nucleocapsid has been neglected since the 1960s due to a lack of electron microscopy techniques to preserve this labile structure. With the advent of cryo-fixation techniques, like high-pressure freezing/freeze-substitution, we are now able to consistently preserve and visualize the nucleocapsid. Because vaccinia virus early transcription is coupled to the viral core structure, detailing the structure of the nucleocapsid is indispensable for determining the mechanisms of vaccinia virus core-directed transcription. The present study represents our second attempt to understand the structure and biological significance of the nucleocapsid. We demonstrate the importance of the protein L4 for the formation of the nucleocapsid and reveal in addition that the nucleocapsid and the core wall may be associated, suggesting a higher level of complexity of the nucleocapsid than predicted. In addition, we prove the utility of high-pressure freezing in preserving the vaccinia virus nucleocapsid. PMID:25253347

Vocational Didactics: Core Assumptions and Approaches from Denmark, Germany, Norway, Spain and Sweden

ERIC Educational Resources Information Center

Gessler, Michael; Moreno Herrera, Lázaro

2015-01-01

The design of vocational didactics has to meet special requirements. Six core assumptions are identified: outcome orientation, cultural-historical embedding, horizontal structure, vertical structure, temporal structure, and the changing nature of work. Different approaches and discussions from school-based systems (Spain and Sweden) and dual…

Supplemental materials for the ICDP-USGS Eyreville A, B, and C core holes, Chesapeake Bay impact structure: Core-box photographs, coring-run tables, and depth-conversion files

USGS Publications Warehouse

Durand, C.T.; Edwards, L.E.; Malinconico, M.L.; Powars, D.S.

2009-01-01

During 2005-2006, the International Continental Scientific Drilling Program and the U.S. Geological Survey drilled three continuous core holes into the Chesapeake Bay impact structure to a total depth of 1766.3 m. A collection of supplemental materials that presents a record of the core recovery and measurement data for the Eyreville cores is available on CD-ROM at the end of this volume and in the GSA Data Repository. The supplemental materials on the CD-ROM include digital photographs of each core box from the three core holes, tables of the three coring-run logs, as recorded on site, and a set of depth-conversion programs. In this chapter, the contents, purposes, and basic applications of the supplemental materials are briefly described. With this information, users can quickly decide if the materials will apply to their specific research needs. ?? 2009 The Geological Society of America.

Sintered magnetic cores of high Bs Fe84.3Si4B8P3Cu0.7 nano-crystalline alloy with a lamellar microstructure

NASA Astrophysics Data System (ADS)

Zhang, Yan; Sharma, Parmanand; Makino, Akihiro

2014-05-01

Fabrication of bulk cores of nano-crystalline Fe84.3Si4B8P3Cu0.7 alloy with a lamellar type of microstructure is reported. Amorphous ribbon flakes of size ˜1.0-2.0 mm were compacted in the bulk form by spark plasma sintering technique at different sintering temperatures. High density (˜96.4%) cores with a uniform nano-granular structure made from α-Fe (˜31 nm) were obtained. These cores show excellent mechanical and soft magnetic properties. The lamellar micro-structure is shown to be important in achieving significantly lower magnetic core loss than the non-oriented silicon steel sheets, commercial powder cores and even the core made of the same alloy with finer and randomly oriented powder particles.

Connecting traces of galaxy evolution: the missing core mass-morphological fine structure relation

NASA Astrophysics Data System (ADS)

Bonfini, P.; Bitsakis, T.; Zezas, A.; Duc, P.-A.; Iodice, E.; González-Martín, O.; Bruzual, G.; González Sanoja, A. J.

2018-01-01

Deep exposure imaging of early-type galaxies (ETGs) are revealing the second-order complexity of these objects, which have been long considered uniform, dispersion-supported spheroidals. `Fine structure' features (e.g. ripples, plumes, tidal tails, rings) as well as depleted stellar cores (i.e. central light deficits) characterize a number of massive ETG galaxies, and can be interpreted as the result of galaxy-galaxy interactions. We discuss how the time-scale for the evolution of cores and fine structures are comparable, and hence it is expected that they develop in parallel after the major interaction event which shaped the ETG. Using archival data, we compare the `depleted stellar mass' (i.e. the mass missing from the depleted stellar core) against the prominence of the fine structure features, and observe that they correlate inversely. This result confirms our expectation that, while the supermassive black hole (SMBH) binary (constituted by the SMBHs of the merger progenitors) excavates the core via three-body interactions, the gravitational potential of the newborn galaxy relaxes, and the fine structures fade below detection levels. We expect the inverse correlation to hold at least within the first Gyr from the merger which created the SMBH binary; after then, the fine structure evolves independently.

Seismic anisotropy in the Earth's innermost inner core: Testing structural models against mineral physics predictions

DOE PAGES

Romanowicz, Barbara; Cao, Aimin; Godwal, Budhiram; ...

2016-01-06

Using an updated data set of ballistic PKIKP travel time data at antipodal distances, we test different models of anisotropy in the Earth's innermost inner core (IMIC) and obtain significantly better fits for a fast axis aligned with Earth's rotation axis, rather than a quasi-equatorial direction, as proposed recently. Reviewing recent results on the single crystal structure and elasticity of iron at core conditions, we find that an hcp structure with the fast c axis parallel to Earth's rotation is more likely but a body-centered cubic structure with the [111] axis aligned in that direction results in very similar predictionsmore » for seismic anisotropy. These models are therefore not distinguishable based on current seismological data. In addition, to match the seismological observations, the inferred strength of anisotropy in the IMIC (6–7%) implies almost perfect alignment of iron crystals, an intriguing, albeit unlikely situation, especially in the presence of heterogeneity, which calls for further studies. Fast axis of anisotropy in the central part of the inner core aligned with Earth's axis of rotation Lastly, the structure of iron in the inner core is most likely hcp, not bcc Not currently possible to distinguish between hcp and bcc structures from seismic observations« less

Analysis of core-periphery organization in protein contact networks reveals groups of structurally and functionally critical residues.

PubMed

Isaac, Arnold Emerson; Sinha, Sitabhra

2015-10-01

The representation of proteins as networks of interacting amino acids, referred to as protein contact networks (PCN), and their subsequent analyses using graph theoretic tools, can provide novel insights into the key functional roles of specific groups of residues. We have characterized the networks corresponding to the native states of 66 proteins (belonging to different families) in terms of their core-periphery organization. The resulting hierarchical classification of the amino acid constituents of a protein arranges the residues into successive layers - having higher core order - with increasing connection density, ranging from a sparsely linked periphery to a densely intra-connected core (distinct from the earlier concept of protein core defined in terms of the three-dimensional geometry of the native state, which has least solvent accessibility). Our results show that residues in the inner cores are more conserved than those at the periphery. Underlining the functional importance of the network core, we see that the receptor sites for known ligand molecules of most proteins occur in the innermost core. Furthermore, the association of residues with structural pockets and cavities in binding or active sites increases with the core order. From mutation sensitivity analysis, we show that the probability of deleterious or intolerant mutations also increases with the core order. We also show that stabilization centre residues are in the innermost cores, suggesting that the network core is critically important in maintaining the structural stability of the protein. A publicly available Web resource for performing core-periphery analysis of any protein whose native state is known has been made available by us at http://www.imsc.res.in/ ~sitabhra/proteinKcore/index.html.

Hierarchical core-shell structure of ZnO nanorod@NiO/MoO₂ composite nanosheet arrays for high-performance supercapacitors.

PubMed

Hou, Sucheng; Zhang, Guanhua; Zeng, Wei; Zhu, Jian; Gong, Feilong; Li, Feng; Duan, Huigao

2014-08-27

A hierarchical core-shell structure of ZnO nanorod@NiO/MoO2 composite nanosheet arrays on nickel foam substrate for high-performance supercapacitors was constructed by a two-step solution-based method involving two hydrothermal processes followed by a calcination treatment. Compared to one composed of pure NiO/MoO2 composite nanosheets, the hierarchical core-shell structure electrode displays better pseudocapacitive behaviors in 2 M KOH, including high areal specific capacitance values of 1.18 F cm(-2) at 5 mA cm(-2) and 0.6 F cm(-2) at 30 mA cm(-2) as well as relatively good rate capability at high current densities. Furthermore, it also shows remarkable cycle stability, remaining at 91.7% of the initial value even after 4000 cycles at a current density of 10 mA cm(-2). The enhanced pseudocapacitive behaviors are mainly due to the unique hierarchical core-shell structure and the synergistic effect of combining ZnO nanorod arrays and NiO/MoO2 composite nanosheets. This novel hierarchical core-shell structure shows promise for use in next-generation supercapacitors.

Structural response of 1/20-scale models of the Clinch River Breeder Reactor to a simulated hypothetical core disruptive accident. Technical report 4

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

Romander, C. M.; Cagliostro, D. J.

Five experiments were performed to help evaluate the structural integrity of the reactor vessel and head design and to verify code predictions. In the first experiment (SM 1), a detailed model of the head was loaded statically to determine its stiffness. In the remaining four experiments (SM 2 to SM 5), models of the vessel and head were loaded dynamically under a simulated 661 MW-sec hypothetical core disruptive accident (HCDA). Models SM 2 to SM 4, each of increasing complexity, systematically showed the effects of upper internals structures, a thermal liner, core support platform, and torospherical bottom on vessel response.more » Model SM 5, identical to SM 4 but more heavily instrumented, demonstrated experimental reproducibility and provided more comprehensive data. The models consisted of a Ni 200 vessel and core barrel, a head with shielding and simulated component masses, an upper internals structure (UIS), and, in the more complex models SM 4 and SM 5, a Ni 200 thermal liner and core support structure. Water simulated the liquid sodium coolant and a low-density explosive simulated the HCDA loads.« less

Random close packing in protein cores

NASA Astrophysics Data System (ADS)

Gaines, Jennifer C.; Smith, W. Wendell; Regan, Lynne; O'Hern, Corey S.

2016-03-01

Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ ≈0.75 , a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ ≈0.56 , which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.

Velocity and Attenuation Structure of the Earth's Inner Core Boundary From Semi-Automatic Waveform Modeling

NASA Astrophysics Data System (ADS)

Jin, J.; Song, X.; Sun, D.; Helmberger, D. V.

2013-12-01

The structure of the Earth's inner core boundary (ICB) is complex. Hemispherical differences and local variations of velocity and attenuation structures, as well as the ICB topography have been reported in previous studies. We are using an automatic waveform modeling method to improve the resolution of the ICB structures. The full waveforms of triplicated PKP phases at distance ranges from 120 to 165 degrees are used to model the lowermost 200 km of the outer core and the uppermost 600km of the inner core. Given a 1D velocity and attenuation model, synthetic seismograms are generated by Generalized Ray Theory. We are also experimenting 2D synthetic methods (WKM, AXISEM, and 2D FD) for 2D models (in the mantle and the inner core). The source time function is determined by observed seismic data. We use neighborhood algorithm to search for a group of models that minimize the misfit between predictions and observations. Tests on synthetic data show the efficiency of this method in resolving detailed velocity and attenuation structures of the ICB simultaneously. We are analyzing seismic record sections at dense arrays along different paths and will report our modeling and inversion results in the meeting.

Random close packing in protein cores.

PubMed

Gaines, Jennifer C; Smith, W Wendell; Regan, Lynne; O'Hern, Corey S

2016-03-01

Shortly after the determination of the first protein x-ray crystal structures, researchers analyzed their cores and reported packing fractions ϕ ≈ 0.75, a value that is similar to close packing of equal-sized spheres. A limitation of these analyses was the use of extended atom models, rather than the more physically accurate explicit hydrogen model. The validity of the explicit hydrogen model was proved in our previous studies by its ability to predict the side chain dihedral angle distributions observed in proteins. In contrast, the extended atom model is not able to recapitulate the side chain dihedral angle distributions, and gives rise to large atomic clashes at side chain dihedral angle combinations that are highly probable in protein crystal structures. Here, we employ the explicit hydrogen model to calculate the packing fraction of the cores of over 200 high-resolution protein structures. We find that these protein cores have ϕ ≈ 0.56, which is similar to results obtained from simulations of random packings of individual amino acids. This result provides a deeper understanding of the physical basis of protein structure that will enable predictions of the effects of amino acid mutations to protein cores and interfaces of known structure.

Enhanced oxidation stability of quasi core-shell alloyed CdSeS quantum dots prepared through aqueous microwave synthesis technique.

PubMed

Zhan, Hong-Ju; Zhou, Pei-Jiang; Ma, Rong; Liu, Xi-Jing; He, Yu-Ning; Zhou, Chuan-Yun

2014-01-01

Quasi core shell alloyed CdSeS quantum dots (QDs) have been prepared through a facile aqueous-phase route employing microwave irradiation technique. The optical spectroscopy and structure characterization evidenced the quasi core shell alloyed structures of CdSeS QDs. The X-ray diffraction patterns of the obtained CdSeS QDs displayed peak positions very close to those of bulk cubic CdS crystal structures and the result of X-ray photoelectron spectroscopy data re-confirmed the thick CdS shell on the CdSe core. The TEM images and HRTEM images of the CdSeS QDs ascertained the well-defined spherical particles and a relatively narrow size distribution. On the basis, the stability of the obtained QDs in an oxidative environment was also discussed using etching reaction by H2O2. The experiments result showed the as-prepared QDs present high tolerance towards H2O2, obviously superior to the commonly used CdTe QDs and core-shell CdTe/CdS QDs, which was attributed to the unique quasi core-shell CdSeS crystal structure and the small lattice mismatch between CdSe and CdS semiconductor materials. This assay provided insight to obtain high stable crystal structured semiconductor nanocrystals in the design and synthesis process.

Investigating the Theoretical Structure of the DAS-II Core Battery at School Age Using Bayesian Structural Equation Modeling

ERIC Educational Resources Information Center

Dombrowski, Stefan C.; Golay, Philippe; McGill, Ryan J.; Canivez, Gary L.

2018-01-01

Bayesian structural equation modeling (BSEM) was used to investigate the latent structure of the Differential Ability Scales-Second Edition core battery using the standardization sample normative data for ages 7-17. Results revealed plausibility of a three-factor model, consistent with publisher theory, expressed as either a higher-order (HO) or a…

Coarse graining of NN inelastic interactions up to 3 GeV: Repulsive versus structural core

NASA Astrophysics Data System (ADS)

Fernández-Soler, P.; Ruiz Arriola, E.

2017-07-01

The repulsive short-distance core is one of the main paradigms of nuclear physics which even seems confirmed by QCD lattice calculations. On the other hand nuclear potentials at short distances are motivated by high energy behavior where inelasticities play an important role. We analyze NN interactions up to 3 GeV in terms of simple coarse grained complex and energy dependent interactions. We discuss two possible and conflicting scenarios which share the common feature of a vanishing wave function at the core location in the particular case of S waves. We find that the optical potential with a repulsive core exhibits a strong energy dependence whereas the optical potential with the structural core is characterized by a rather adiabatic energy dependence which allows one to treat inelasticity perturbatively. We discuss the possible implications for nuclear structure calculations of both alternatives.

Core assembly storage structure

DOEpatents

Jones, Jr., Charles E.; Brunings, Jay E.

1988-01-01

A structure for the storage of core assemblies from a liquid metal-cooled nuclear reactor. The structure comprises an enclosed housing having a substantially flat horizontal top plate, a bottom plate and substantially vertical wall members extending therebetween. A plurality of thimble members extend downwardly through the top plate. Each thimble member is closed at its bottom end and has an open end adjacent said top plate. Each thimble member has a length and diameter greater than that of the core assembly to be stored therein. The housing is provided with an inlet duct for the admission of cooling air and an exhaust duct for the discharge of air therefrom, such that when hot core assemblies are placed in the thimbles, the heat generated will by convection cause air to flow from the inlet duct around the thimbles and out the exhaust duct maintaining the core assemblies at a safe temperature without the necessity of auxiliary powered cooling equipment.

Nondestructive Evaluation (NDE) for Inspection of Composite Sandwich Structures

NASA Technical Reports Server (NTRS)

Zalameda, Joseph N.; Parker, F. Raymond

2014-01-01

Composite honeycomb structures are widely used in aerospace applications due to their low weight and high strength advantages. Developing nondestructive evaluation (NDE) inspection methods are essential for their safe performance. Flash thermography is a commonly used technique for composite honeycomb structure inspections due to its large area and rapid inspection capability. Flash thermography is shown to be sensitive for detection of face sheet impact damage and face sheet to core disbond. Data processing techniques, using principal component analysis to improve the defect contrast, are discussed. Limitations to the thermal detection of the core are investigated. In addition to flash thermography, X-ray computed tomography is used. The aluminum honeycomb core provides excellent X-ray contrast compared to the composite face sheet. The X-ray CT technique was used to detect impact damage, core crushing, and skin to core disbonds. Additionally, the X-ray CT technique is used to validate the thermography results.

Internal structure of InP/ZnS nanocrystals unraveled by high-resolution soft X-ray photoelectron spectroscopy.

PubMed

Huang, Kai; Demadrille, Renaud; Silly, Mathieu G; Sirotti, Fausto; Reiss, Peter; Renault, Olivier

2010-08-24

High-energy resolution photoelectron spectroscopy (DeltaE < 200 meV) is used to investigate the internal structure of semiconductor quantum dots containing low Z-contrast elements. In InP/ZnS core/shell nanocrystals synthesized using a single-step procedure (core and shell precursors added at the same time), a homogeneously alloyed InPZnS core structure is evidenced by quantitative analysis of their In3d(5/2) spectra recorded at variable excitation energy. When using a two-step method (core InP nanocrystal synthesis followed by subsequent ZnS shell growth), XPS analysis reveals a graded core/shell interface. We demonstrate the existence of In-S and S(x)-In-P(1-x) bonding states in both types of InP/ZnS nanocrystals, which allows a refined view on the underlying reaction mechanisms.

Ultrasonic approach to the synthesis of HMX@TATB core-shell microparticles with improved mechanical sensitivity.

PubMed

Huang, Bing; Hao, Xiaofei; Zhang, Haobin; Yang, Zhijian; Ma, Zhigang; Li, Hongzhen; Nie, Fude; Huang, Hui

2014-07-01

To improve the safety of sensitive explosive HMX while maintaining explosion performance, a moderately powerful but insensitive explosive TATB was used to coat HMX microparticles via a facile ultrasonic method. By using Estane as surface modifier and nano-sized TATB as the shell layer, the HMX@TATB core-shell microparticles with a monodisperse size and compact shell structure were successfully constructed. Both scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS) results confirmed the formation of perfect core-shell structured composites. Based on a systematic and comparative study of the effect of experimental conditions, a possible formation mechanism of core-shell structure was proposed in detail. Moreover, the perfect core-shell HMX@TATB microparticles exhibited a unique thermal behavior and significantly improved mechanical sensitivity compared with that of the physical mixture. Copyright © 2014 Elsevier B.V. All rights reserved.

The curious case of Mercury's internal structure

NASA Astrophysics Data System (ADS)

Hauck, Steven A.; Margot, Jean-Luc; Solomon, Sean C.; Phillips, Roger J.; Johnson, Catherine L.; Lemoine, Frank G.; Mazarico, Erwan; McCoy, Timothy J.; Padovan, Sebastiano; Peale, Stanton J.; Perry, Mark E.; Smith, David E.; Zuber, Maria T.

2013-06-01

The recent determination of the gravity field of Mercury and new Earth-based radar observations of the planet's spin state afford the opportunity to explore Mercury's internal structure. These observations provide estimates of two measures of the radial mass distribution of Mercury: the normalized polar moment of inertia and the fractional polar moment of inertia of the solid portion of the planet overlying the liquid core. Employing Monte Carlo techniques, we calculate several million models of the radial density structure of Mercury consistent with its radius and bulk density and constrained by these moment of inertia parameters. We estimate that the top of the liquid core is at a radius of 2020 ± 30 km, the mean density above this boundary is 3380 ± 200 kg m-3, and the density below the boundary is 6980 ± 280 kg m-3. We find that these internal structure parameters are robust across a broad range of compositional models for the core and planet as a whole. Geochemical observations of Mercury's surface by MESSENGER indicate a chemically reducing environment that would favor the partitioning of silicon or both silicon and sulfur into the metallic core during core-mantle differentiation. For a core composed of Fe-S-Si materials, the thermodynamic properties at elevated pressures and temperatures suggest that an FeS-rich layer could form at the top of the core and that a portion of it may be presently solid.

Measuring the Internal Structure and Physical Conditions in Star and Planet Forming Clouds Core: Toward a Quantitative Description of Cloud Evolution

NASA Technical Reports Server (NTRS)

Lada, Charles J.

2005-01-01

This grant funds a research program to use infrared extinction measurements to probe the detailed structure of dark molecular cloud cores and investigate the physical conditions which give rise to star and planet formation. The goals of this program are to acquire, reduce and analyze deep infrared and molecular-line observations of a carefully selected sample of nearby dark clouds in order to internal structure of starless cloud cores and to quantitatively investigate the evolution of such structure through the star and planet formation process. During the second year of this grant, progress toward these goals is discussed.

Measuring the Internal Structure and Physical Conditions in Star and Planet Forming Clouds Cores: Towards a Quantitative Description of Cloud Evolution

NASA Technical Reports Server (NTRS)

Lada, Charles J.

2004-01-01

This grant funds a research program to use infrared extinction measurements to probe the detailed structure of dark molecular cloud cores and investigate the physical conditions which give rise to star and planet formation. The goals of this program are to acquire, reduce and analyze deep infrared and molecular-line observations of a carefully selected sample of nearby dark clouds in order to determine the detailed initial conditions for star formation from quantitative measurements of the internal structure of starless cloud cores and to quantitatively investigate the evolution of such structure through the star and planet formation process.

Star cell type core configuration for structural sandwich materials

DOEpatents

Christensen, Richard M.

1995-01-01

A new pattern for cellular core material used in sandwich type structural materials. The new pattern involves star shaped cells intermixed with hexagonal shaped cells. The new patterned cellular core material includes star shaped cells interconnected at points thereof and having hexagonal shape cells positioned adjacent the star points. The new pattern allows more flexibility and can conform more easily to curved shapes.

Application of fractography to core and outcrop fracture investigations

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

Kulander, B.R.; Barton, C.C.; Dean, S.L.

1979-03-01

Purpose of this paper is to introduce geologists to the principles of fractography, especially those principles that govern the formation of fracture surface structures commonly observed in rocks. A knowledge of the inception mechanics governing the formation of a fracture's tendential and transient structures should provide geologists with a method to distinguish natural from coring-induced and handling-induced fractures in oriented core samples, and show how coring-induced fractures may be assisted in their formation by stresses that can be attributed to the drilling process. 118 figures.

Low density bismaleimide-carbon microballoon composites. [aircraft and submarine compartment safety

NASA Technical Reports Server (NTRS)

Kourtides, D. A.; Parker, J. A. (Inventor)

1978-01-01

A process is described for constructing for a composite laminate structure which exhibits a high resistance to heat and flame provides safer interior structures for aircraft and submarine compartments. Composite laminate structures are prepared by the bismaleimide resin preimpregnation of a fiberglass cloth to form a face sheet which is bonded with a bismaleimide hot melt adhesive to a porous core structure selected from the group consisting of polyamide paper and bismaleimide-glass fabric which is filled with carbon microballoons. The carbon microballoons are prepared by pyrolyzing phenolic micro-balloons in the presence of nitrogen. A slurry of the carbon microballoons is prepared to fill the porous core structure. The porous core structure and face sheet are bonded to provide panel structures exhibiting increased mechanical capacities and lower oxygen limit values and smoke density values.

Hierarchical Mesoporous Organosilica-Silica Core-Shell Nanoparticles Capable of Controlled Fungicide Release.

PubMed

Luo, Leilei; Liang, Yucang; Erichsen, Egil Severin; Anwander, Reiner

2018-05-17

A new class of hierarchically structured mesoporous silica core-shell nanoparticles (HSMSCSNs) with a periodic mesoporous organosilica (PMO) core and a mesoporous silica (MS) shell is reported. The applied one-pot, two-step strategy allows rational control over the core/shell chemical composition, topology, and pore/particle size, simply by adjusting the reaction conditions in the presence of cetyltrimethylammonium bromide (CTAB) as structure-directing agent under basic conditions. The spherical, ethylene- or methylene-bridged PMO cores feature hexagonal (p6mm) or cage-like cubic symmetry (Pm3‾ n) depending on the organosilica precursor. The hexagonal MS shell was obtained by n-hexane-induced controlled hydrolysis of TEOS followed by directional co-assembly/condensation of silicate/CTAB composites at the PMO cores. The HSMSCSNs feature a hierarchical pore structure with pore diameters of about 2.7 and 5.6 nm in the core and shell domains, respectively. The core sizes and shell thicknesses are adjustable in the ranges of 90-275 and 15-50 nm, respectively, and the surface areas (max. 1300 m 2  g -1 ) and pore volumes (max. 1.83 cm 3  g -1 ) are among the highest reported for core-shell nanoparticles. The adsorption and controlled release of the fungicide propiconazole by the HSMSCSNs showed a three-stage release profile. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Core-Shell Structuring of Pure Metallic Aerogels towards Highly Efficient Platinum Utilization for the Oxygen Reduction Reaction.

PubMed

Cai, Bin; Hübner, René; Sasaki, Kotaro; Zhang, Yuanzhe; Su, Dong; Ziegler, Christoph; Vukmirovic, Miomir B; Rellinghaus, Bernd; Adzic, Radoslav R; Eychmüller, Alexander

2018-03-05

The development of core-shell structures remains a fundamental challenge for pure metallic aerogels. Here we report the synthesis of Pd x Au-Pt core-shell aerogels composed of an ultrathin Pt shell and a composition-tunable Pd x Au alloy core. The universality of this strategy ensures the extension of core compositions to Pd transition-metal alloys. The core-shell aerogels exhibited largely improved Pt utilization efficiencies for the oxygen reduction reaction and their activities show a volcano-type relationship as a function of the lattice parameter of the core substrate. The maximum mass and specific activities are 5.25 A mg Pt -1 and 2.53 mA cm -2 , which are 18.7 and 4.1 times higher than those of Pt/C, respectively, demonstrating the superiority of the core-shell metallic aerogels. The proposed core-based activity descriptor provides a new possible strategy for the design of future core-shell electrocatalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Finite element simulation of core inspection in helicopter rotor blades using guided waves.

PubMed

Chakrapani, Sunil Kishore; Barnard, Daniel; Dayal, Vinay

2015-09-01

This paper extends the work presented earlier on inspection of helicopter rotor blades using guided Lamb modes by focusing on inspecting the spar-core bond. In particular, this research focuses on structures which employ high stiffness, high density core materials. Wave propagation in such structures deviate from the generic Lamb wave propagation in sandwich panels. To understand the various mode conversions, finite element models of a generalized helicopter rotor blade were created and subjected to transient analysis using a commercial finite element code; ANSYS. Numerical simulations showed that a Lamb wave excited in the spar section of the blade gets converted into Rayleigh wave which travels across the spar-core section and mode converts back into Lamb wave. Dispersion of Rayleigh waves in multi-layered half-space was also explored. Damage was modeled in the form of a notch in the core section to simulate a cracked core, and delamination was modeled between the spar and core material to simulate spar-core disbond. Mode conversions under these damaged conditions were examined numerically. The numerical models help in assessing the difficulty of using nondestructive evaluation for complex structures and also highlight the physics behind the mode conversions which occur at various discontinuities. Copyright © 2015 Elsevier B.V. All rights reserved.

Observations of Pre-Stellar Cores

NASA Astrophysics Data System (ADS)

Tafalla, M.

2005-08-01

Our understanding of the physical and chemical structure of pre-stellar cores, the simplest star-forming sites, has significantly improved since the last IAU Symposium on Astrochemistry (South Korea, 1999). Research done over these years has revealed that major molecular species like CO and CS systematically deplete onto dust grains in the interior of pre-stellar cores, while species like N2H+ and NH3 survive in the gas phase and can usually be detected toward the core centers. Such a selective behavior of molecular species gives rise to a differentiated (onion-like) chemical composition, and manifests itself in molecular maps as a dichotomy between centrally peaked and ring-shaped distributions. From the point of view of star-formation studies, the identification of molecular inhomogeneities in cores helps to resolve past discrepancies between observations made using different tracers, and brings the possibility of self-consistent modelling of the core internal structure. Here I present recent work on determining the physical and chemical structure of two pre-stellar cores, L1498 and L1517B, using observations in a large number of molecules and Monte Carlo radiative transfer analysis. These two cores are typical examples of the pre-stellar core population, and their chemical composition is characterized by the presence of large `freeze out holes' in most molecular species. In contrast with these chemically processed objects, a new population of chemically young cores has begun to emerge. The characteristics of its most extreme representative, L1521E, are briefly reviewed.

Inner core structure behind the PKP core phase triplication

NASA Astrophysics Data System (ADS)

Blom, Nienke A.; Deuss, Arwen; Paulssen, Hanneke; Waszek, Lauren

2015-06-01

The structure of the Earth's inner core is not well known between depths of ˜100-200 km beneath the inner core boundary. This is a result of the PKP core phase triplication and the existence of strong precursors to PKP phases, which hinder the measurement of inner core compressional PKIKP waves at epicentral distances between roughly 143 and 148°. Consequently, interpretation of the detailed structure of deeper regions also remains difficult. To overcome these issues we stack seismograms in slowness and time, separating the PKP and PKIKP phases which arrive simultaneously but with different slowness. We apply this method to study the inner core's Western hemisphere beneath South and Central America using paths travelling in the quasi-polar direction between 140 and 150° epicentral distance, which enables us to measure PKiKP-PKIKP differential traveltimes up to greater epicentral distance than has previously been done. The resulting PKiKP-PKIKP differential traveltime residuals increase with epicentral distance, which indicates a marked increase in seismic velocity for polar paths at depths greater than 100 km compared to reference model AK135. Assuming a homogeneous outer core, these findings can be explained by either (i) inner core heterogeneity due to an increase in isotropic velocity or (ii) increase in anisotropy over the studied depth range. Although this study only samples a small region of the inner core and the current data cannot distinguish between the two alternatives, we prefer the latter interpretation in the light of previous work.

An engineered allosteric switch in leucine-zipper oligomerization.

PubMed

Gonzalez, L; Plecs, J J; Alber, T

1996-06-01

Controversy remains about the role of core side-chain packing in specifying protein structure. To investigate the influence of core packing on the oligomeric structure of a coiled coil, we engineered a GCN4 leucine zipper mutant that switches from two to three strands upon binding the hydrophobic ligands cyclohexane and benzene. In solution these ligands increased the apparent thermal stability and the oligomerization order of the mutant leucine zipper. The crystal structure of the peptide-benzene complex shows a single benzene molecule bound at the engineered site in the core of the trimer. These results indicate that coiled coils are well-suited to function as molecular switches and emphasize that core packing is an important determinant of oligomerization specificity.

Quasi-Static Compression and Low-Velocity Impact Behavior of Tri-Axial Bio-Composite Structural Panels Using a Spherical Head

PubMed Central

Li, Jinghao; Hunt, John F; Gong, Shaoqin; Cai, Zhiyong

2017-01-01

This paper presents experimental results of both quasi-static compression and low-velocity impact behavior for tri-axial bio-composite structural panels using a spherical load head. Panels were made having different core and face configurations. The results showed that panels made having either carbon fiber fabric composite faces or a foam-filled core had significantly improved impact and compressive performance over panels without either. Different localized impact responses were observed based on the location of the compression or impact relative to the tri-axial structural core; the core with a smaller structural element had better impact performance. Furthermore, during the early contact phase for both quasi-static compression and low-velocity impact tests, the panels with the same configuration had similar load-displacement responses. The experimental results show basic compression data could be used for the future design and optimization of tri-axial bio-composite structural panels for potential impact applications. PMID:28772542

Low-Velocity Impact Behavior of Sandwich Structures with Additively Manufactured Polymer Lattice Cores

NASA Astrophysics Data System (ADS)

Turner, Andrew J.; Al Rifaie, Mohammed; Mian, Ahsan; Srinivasan, Raghavan

2018-05-01

Sandwich panel structures are widely used in aerospace, marine, and automotive applications because of their high flexural stiffness, strength-to-weight ratio, good vibration damping, and low through-thickness thermal conductivity. These structures consist of solid face sheets and low-density cellular core structures, which are traditionally based upon honeycomb folded-sheet topologies. The recent advances in additive manufacturing (AM) or 3D printing process allow lattice core configurations to be designed with improved mechanical properties. In this work, the sandwich core is comprised of lattice truss structures (LTS). Two different LTS designs are 3D-printed using acrylonitrile butadiene styrene (ABS) and are tested under low-velocity impact loads. The absorption energy and the failure mechanisms of lattice cells under such loads are investigated. The differences in energy-absorption capabilities are captured by integrating the load-displacement curve found from the impact response. It is observed that selective placement of vertical support struts in the unit-cell results in an increase in the absorption energy of the sandwich panels.

Mechanical behavior of Kenaf/Epoxy corrugated sandwich structures

NASA Astrophysics Data System (ADS)

Bakhori, S.; Hassan, M. Z.; Daud, Y.; Sarip, S.; Rahman, N.; Ismail, Z.; Aziz, S. A.

2015-12-01

This study presents the response of kenaf/epoxy corrugated sandwich structure during quasi-static test. Force-displacements curves have been deducted to determine the deformation pattern and collapse behavior of the structure. Kenaf/epoxy sandwich structures skins fabricated by using hand layup technique and the corrugated core were moulded by using steel mould. Different thicknesses of corrugated core web with two sizes of kenaf fibers were used. The corrugated core is then bonded with the skins by using poly-epoxy resin and has been cut into different number of cells. The specimens then tested under tensile and compression at different constant speeds until the specimens fully crushed. Tensile tests data showed the structure can be considered brittle when it breaking point strain, ε less than 0.025. In compression test, the specimens fail due to dominated by stress concentration that initiated by prior cracks. Also, the specimens with more number of cells and thicker core web have higher strength and the ability to absorb higher energy.

Low-Velocity Impact Behavior of Sandwich Structures with Additively Manufactured Polymer Lattice Cores

NASA Astrophysics Data System (ADS)

Turner, Andrew J.; Al Rifaie, Mohammed; Mian, Ahsan; Srinivasan, Raghavan

2018-04-01

Sandwich panel structures are widely used in aerospace, marine, and automotive applications because of their high flexural stiffness, strength-to-weight ratio, good vibration damping, and low through-thickness thermal conductivity. These structures consist of solid face sheets and low-density cellular core structures, which are traditionally based upon honeycomb folded-sheet topologies. The recent advances in additive manufacturing (AM) or 3D printing process allow lattice core configurations to be designed with improved mechanical properties. In this work, the sandwich core is comprised of lattice truss structures (LTS). Two different LTS designs are 3D-printed using acrylonitrile butadiene styrene (ABS) and are tested under low-velocity impact loads. The absorption energy and the failure mechanisms of lattice cells under such loads are investigated. The differences in energy-absorption capabilities are captured by integrating the load-displacement curve found from the impact response. It is observed that selective placement of vertical support struts in the unit-cell results in an increase in the absorption energy of the sandwich panels.

Atomistic tight-binding computations of the structural and optical properties of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak

2018-05-01

A study of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals is carried out using atomistic tight-binding theory and the configuration interaction method to provide information for applications in bioimaging, biolabeling, display devices and near-infrared electronic instruments. The calculations yield the dependences of the internal and external passivated shells on the natural behaviours of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals. The reduction of the optical band gaps is observed with increasing numbers of monolayers in the external ZnS shell due to quantum confinement. Interestingly, the optical band gaps of CdTe/CdS/ZnS core/shell/shell nanocrystals are greater than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. In the presence of an external ZnS-coated shell, electron-hole wave function overlaps, oscillation strengths, ground-state exchange energies and Stokes shift are improved, whereas ground-state coulomb energies and fine-structure splitting are reduced. The oscillation strengths, Stokes shift and fine-structure splitting are reduced with the increase in external ZnS shell thickness. The oscillation strengths, Stokes shift and fine-structure splitting of CdTe/CdS/ZnS core/shell/shell nanocrystals are larger than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. Reduction of the atomistic electron-hole interactions is observed with increasing external ZnS shell size. The strong electron-hole interactions are more probed in CdTe/CdS/ZnS core/shell/shell nanocrystals than in CdTe/CdSe/ZnS core/shell/shell nanocrystals.

Structural and optical properties of ZnSe:Eu/ZnS quantum dots depending on interfacial residual europium

NASA Astrophysics Data System (ADS)

Park, Ji Young; Lee, Chan Gi; Seo, Han Wook; Jeong, Da-Woon; Kim, Min Young; Kim, Woo-Byoung; Kim, Bum Sung

2018-01-01

A multimodal emitter comprising of ZnSe:Eu/ZnS (core/shell) quantum dots (QDs) by adding a ZnS precursor in situ during synthesis. ZnSe/Eu2+/Eu3+/ZnS actives both core and core/shell. QDs prepared with the ZnS precursor displayed a luminescence intensity three times that of ZnSe QDs due to the passivation effect of the Shell. While the core QDs display the 450-550 nm emission of Eu2+ (4F65D1 → 4F7), the core/shell system showed no Eu2+ emission but only the sharp peaks in the red at 579, 592, 615, 651, and 700 nm due to the electronic transitions of 5D0 → 7Fn (n = 0-4) depending on leisurely decreased with increased reaction time. These results are in agreement with Eu 3d spectra of XPS analysis results. Microscopic analyses show that the core and core/shell QDs both have a zinc blende structure, and their respective sizes were about 3.19 and 3.44 nm. The lattice constant in the central portion of the core/shell QDs are around d111 = 3.13 Å, which is between the outside and inside ring patterns (d111 = 3.27 and 3.07 Å, respectively). This shows the effective over-capping of shell onto the core QDs. The core/shell structure may contain Eu2O3 bonding the over-coated ZnS surface on the Eu3+-doped ZnSe core.

The Effect of Inner Core Translation on Outer Core Flow and the Geomagnetic Field

NASA Astrophysics Data System (ADS)

Mound, J. E.; Davies, C. J.; Silva, L.

2015-12-01

Bulk translation of the inner core has been proposed to explain quasi-hemispheric patterns of seismic heterogeneity. Such a translation would result in differential melting and freezing at the inner core boundary (ICB) and hence a heterogeneous pattern of buoyancy flux that could influence convection in the outer core. This heterogeneous flux at the ICB will tend to promote upwelling on the trailing hemisphere, where enhanced inner core growth results in increased latent heat and light element release, and inhibit upwelling on the leading hemisphere, where melting of the inner core occurs. If this difference in convective driving between the two hemispheres propagated across the thickness of the outer core, then flows near the surface of the core could be linked to the ICB heterogeneity and result in a hemispheric imbalance in the geomagnetic field. We have investigated the influence of such ICB boundary conditions on core flows and magnetic field structure in numerical geodynamo models and analysed the resultant hemispheric imbalance relative to the hemispheric structure in models constructed from observations of Earth's field. Inner core translation at rates consistent with estimates for the Earth produce a strong hemispheric bias in the field, one that should be readily apparent in averages of the field over tens of thousands of years. Current models of the field over the Holocene may be able to rule out the most extreme ICB forcing scenarios, but more information on the dynamic structure of the field over these time scales will be needed to adequately test all cases.

A core-halo pattern of entropy creation in gravitational collapse

NASA Astrophysics Data System (ADS)

Wren, Andrew J.

2018-03-01

This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional "de-relaxation" in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse, and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

A core-halo pattern of entropy creation in gravitational collapse

NASA Astrophysics Data System (ADS)

Wren, Andrew J.

2018-07-01

This paper presents a kinetic theory model of gravitational collapse due to a small perturbation. Solving the relevant equations yields a pattern of entropy destruction in a spherical core around the perturbation, and entropy creation in a surrounding halo. This indicates collisional `de-relaxation' in the core, and collisional relaxation in the halo. Core-halo patterns are ubiquitous in the astrophysics of gravitational collapse and are found here without any of the prior assumptions of such a pattern usually made in analytical models. Motivated by this analysis, the paper outlines a possible scheme for identifying structure formation in a set of observations or a simulation. This scheme involves a choice of coarse-graining scale appropriate to the structure under consideration, and might aid exploration of hierarchical structure formation, supplementing the usual density-based methods for highlighting astrophysical and cosmological structure at various scales.

Fe-C and Fe-H systems at pressures of the Earth's inner core

NASA Astrophysics Data System (ADS)

Bazhanova, Zulfiya G.; Oganov, Artem R.; Gianola, Omar

2012-05-01

The solid inner core of Earth is predominantly composed of iron alloyed with several percent Ni and some lighter elements, Si, S, O, H, and C being the prime candidates. To establish the chemical composition of the inner core, it is necessary to find the range of compositions that can explain its observed characteristics. Recently, there have been a growing number of papers investigating C and H as possible light elements in the core, but the results were contradictory. Here, using ab initio simulations, we study the Fe-C and Fe-H systems at inner core pressures (330-364 GPa). Based on the evolutionary structure prediction algorithm USPEX, we have determined the lowest-enthalpy structures of all possible carbides (FeC, Fe2C, Fe3C, Fe4C, FeC2, FeC3, FeC4, Fe7C3) and hydrides (Fe4H, Fe3H, Fe2H, FeH, FeH2, FeH3, FeH4) and have found that Fe2C (space group Pnma) is the most stable iron carbide at pressures of the inner core, while FeH, FeH3, and FeH4 are the most stable iron hydrides at these conditions. For Fe3C, the cementite structure (space group Pnma) and the Cmcm structure recently found by random sampling are less stable than the I-4 and C2/m structures predicted here. We have found that FeH3 and FeH4 adopt chemically interesting thermodynamically stable crystal structures, containing trivalent iron in both compounds. We find that the density of the inner core can be matched with a reasonable concentration of carbon, 11-15 mol.% (2.6-3.7 wt.%) at relevant pressures and temperatures, yielding the upper bound to the C content in the inner core. This concentration matches that in CI carbonaceous chondrites and corresponds to the average atomic mass in the range 49.3-51.0, in close agreement with inferences from Birch's law for the inner core. Similarly made estimates for the maximum hydrogen content are unrealistically high: 17-22 mol.% (0.4-0.5 wt.%), which corresponds to the average atomic mass of the core in the range 43.8-46.5. We conclude that carbon is a better candidate light alloying element than hydrogen.

GrowYourIC: A Step Toward a Coherent Model of the Earth's Inner Core Seismic Structure

NASA Astrophysics Data System (ADS)

Lasbleis, Marine; Waszek, Lauren; Day, Elizabeth A.

2017-11-01

A complex inner core structure has been well established from seismic studies, showing radial and lateral heterogeneities at various length scales. Yet no geodynamic model is able to explain all the features observed. One of the main limits for this is the lack of tools to compare seismic observations and numerical models successfully. We use here a new Python tool called GrowYourIC to compare models of inner core structure. We calculate properties of geodynamic models of the inner core along seismic raypaths, for random or user-specified data sets. We test kinematic models which simulate fast lateral translation, superrotation, and differential growth. We explore first the influence on a real inner core data set, which has a sparse coverage of the inner core boundary. Such a data set is however able to successfully constrain the hemispherical boundaries due to a good sampling of latitudes. Combining translation and rotation could explain some of the features of the boundaries separating the inner core hemispheres. The depth shift of the boundaries, observed by some authors, seems unlikely to be modeled by a fast translation but could be produced by slow translation associated with superrotation.

Epitaxial Growth of Lattice-Mismatched Core-Shell TiO2 @MoS2 for Enhanced Lithium-Ion Storage.

PubMed

Dai, Rui; Zhang, Anqi; Pan, Zhichang; Al-Enizi, Abdullah M; Elzatahry, Ahmed A; Hu, Linfeng; Zheng, Gengfeng

2016-05-01

Core-shell structured nanohybrids are currently of significant interest due to their synergetic properties and enhanced performances. However, the restriction of lattice mismatch remains a severe obstacle for heterogrowth of various core-shells with two distinct crystal structures. Herein, a controlled synthesis of lattice-mismatched core-shell TiO2 @MoS2 nano-onion heterostructures is successfully developed, using unilamellar Ti0.87 O2 nanosheets as the starting material and the subsequent epitaxial growth of MoS2 on TiO2 . The formation of these core-shell nano-onions is attributed to an amorphous layer-induced heterogrowth mechanism. The number of MoS2 layers can be well tuned from few to over ten layers, enabling layer-dependent synergistic effects. The core-shell TiO2 @MoS2 nano-onion heterostructures exhibit significantly enhanced energy storage performance as lithium-ion battery anodes. The approach has also been extended to other lattice-mismatched systems such as TiO2 @MoSe2 , thus suggesting a new strategy for the growth of well-designed lattice-mismatched core-shell structures. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fabrication and photoluminescence properties of graphite fiber/ZnO nanorod core-shell structures.

PubMed

Liu, Xianbin; Du, Hejun; Liu, Bo; Wang, Jianxiong; Sun, Xiao Wei; Sun, Handong

2011-08-01

Graphite fiber/ZnO nanorod core-shell structures were synthesized by thermal evaporation process. The core-shell hybrid architectures were comprised of ZnO nanorods grown on the surface of graphite fiber. In addition, Hollow ZnO hierarchical structure can be obtained by oxidizing the graphite fiber. Room temperature photoluminescence (PL) of the as-made graphite fiber/ZnO nanorod structures shows two UV peaks at around 3.274 eV and 3.181 eV. The temperature-dependent photoluminescence spectra demonstrate the two UV emissions are attributed to the intrinsic optical transitions and extrinsic defect-related emissions in ZnO. These hybrid structures may be used as the building block for fabrication of nanodevices.

How Does Amino Acid Ligand Modulate Au Core Structure and Characteristics in Peptide Coated Au Nanocluster?

PubMed

Li, Nan; Li, Xu; Zhao, Hongkang; Zhao, Lina

2018-03-01

The atomic structures and the corresponding physicochemical properties of peptide coated Au nanoclusters determine their distinctive biological targeting applications. To learn the modulation of amino acid ligand on the atomic structure and electronic characteristics of coated Au core is the fundamental knowledge for peptide coated Au nanocluster design and construction. Based on our recent coated Au nanocluster configuration study (Nanoscale, 2016, 8, 11454), we built the typically simplified Au13(Cys-Au-Cys) system to more clearly learn the basic modulation information of amino acid ligand on Au core by the density functional theory (DFT) calculations. There are two isomers as ligand adjacent bonding (Iso1) and diagonal bonding (Iso2) to Au13 cores. The geometry optimizations indicate the adjacent bonding Iso1 is more stable than Iso2. More important, the Au13 core of Iso1 distorts much more significantly than that of Iso2 by Cys-Au-Cys bonding through the root-mean-square deviation (RMSD) analysis, which modulate their electronic characteristics in different ways. In addition, the frontier molecular orbital results of Au13(Cys-Au-Cys) isomers confirm that the Au cores mainly determine the blue shifts of Au13(Cys-Au-Cys) systems versus the original Au13 core in their UV-visible absorption spectrum studies. The configuration of Au13 core performs deformation under Cys-Au-Cys ligand modulation to reach new stability with distinct atomic structure and electronic properties, which could be the theory basis for peptide coated AuNCs design and construction.

Elastic constants for superplastically formed/diffusion-bonded corrugated sandwich core

NASA Technical Reports Server (NTRS)

Ko, W. L.

1980-01-01

Formulas and associated graphs for evaluating the effective elastic constants for a superplastically formed/diffusion bonded (SPF/DB) corrugated sandwich core, are presented. A comparison of structural stiffnesses of the sandwich core and a honeycomb core under conditions of equal sandwich core density was made. The stiffness in the thickness direction of the optimum SPF/DB corrugated core (that is, triangular truss core) is lower than that of the honeycomb core, and that the former has higher transverse shear stiffness than the latter.

Core/shell structure NiCo2O4@MnCo2O4 nanofibers fabricated by different temperatures for high-performance supercapacitors

NASA Astrophysics Data System (ADS)

Wang, Qing; Qin, Xuefeng; Jiang, Pengcheng; Dai, Jianfeng; Li, Weixue; Gao, Haoran

2018-03-01

Core/shell structure NiCo2O4@MnCo2O4 nanofibers (NiCo2O4@MnCo2O4 NFs) were prepared by a facile co-electrospinning method and heat treatment. The composites annealed at 500 °C have a complete, continuously obvious core/shell structure, and clear interface of composites with good morphology, while annealed at 600 °C were stacked on each other and were unable to sustain three-dimensional network structures and 700 °C calcination have completely lost one-dimensional structure. The core NiCo2O4 is about 70 nm in diameter and the MnCo2O4 shell behaves a thickness about 60 nm. When investigated as an electrode material for supercapacitors, the NiCo2O4@MnCo2O4 NFs annealed at 500 °C exihibited the specific capacitance of 463 F g-1 (0.926 F cm-2) at 1 A g-1, higher than that annealed at 600 °C 362 F g-1, 1 A g-1 (0.724 F cm-2, 1 A g-1) and 700 °C 283 F g-1, 1 A g-1 (0.566 F cm-2, 1 A g-1). These results suggest that core/shell NiCo2O4@MnCo2O4 NFs annealed at 500 °C have formed a good morphology with continuously complete core/shell structure which lead to good properties would be potential electrodes for supercapacitors.

Testing and evaluation of a slot and tab construction technique for light-weight wood-fiber-based structural panels under bending

Treesearch

Jinghao Li; John F. Hunt; Shaoqin Gong; Zhiyong Cai

2015-01-01

This paper presented construction and strain distributions for light-weight wood-fiber-based structural panels with tri-grid core made from phenolic impregnated laminated paper composites under bending. A new fastening configuration of slots in the faces and tabs on the core was applied to the face/core interfaces of the sandwich panel in addition to epoxy resin. Both...

Star cell type core configuration for structural sandwich materials

DOEpatents

Christensen, R.M.

1995-08-01

A new pattern for cellular core material used in sandwich type structural materials is disclosed. The new pattern involves star shaped cells intermixed with hexagonal shaped cells. The new patterned cellular core material includes star shaped cells interconnected at points thereof and having hexagonal shape cells positioned adjacent the star points. The new pattern allows more flexibility and can conform more easily to curved shapes. 3 figs.

Aircraft Engine Exhaust Nozzle System for Jet Noise Reduction

NASA Technical Reports Server (NTRS)

Thomas, Russell H. (Inventor); Czech, Michael J. (Inventor); Elkoby, Ronen (Inventor)

2014-01-01

The aircraft exhaust engine nozzle system includes a fan nozzle to receive a fan flow from a fan disposed adjacent to an engine disposed above an airframe surface of the aircraft, a core nozzle disposed within the fan nozzle and receiving an engine core flow, and a pylon structure connected to the core nozzle and structurally attached with the airframe surface to secure the engine to the aircraft.

B80 and B101-103 clusters: Remarkable stability of the core-shell structures established by validated density functionalsa)

NASA Astrophysics Data System (ADS)

Li, Fengyu; Jin, Peng; Jiang, De-en; Wang, Lu; Zhang, Shengbai B.; Zhao, Jijun; Chen, Zhongfang

2012-02-01

Prompted by the very recent claim that the volleyball-shaped B80 fullerene [X. Wang, Phys. Rev. B 82, 153409 (2010), 10.1103/PhysRevB.82.153409] is lower in energy than the B80 buckyball [N. G. Szwacki, A. Sadrzadeh, and B. I. Yakobson, Phys. Rev. Lett. 98, 166804 (2007), 10.1103/PhysRevLett.98.166804] and core-shell structure [J. Zhao, L. Wang, F. Li, and Z. Chen, J. Phys. Chem. A 114, 9969 (2010), 10.1021/jp1018873], and inspired by the most recent finding of another core-shell isomer as the lowest energy B80 isomer [S. De, A. Willand, M. Amsler, P. Pochet, L. Genovese, and S. Goedecher, Phys. Rev. Lett. 106, 225502 (2011), 10.1103/PhysRevLett.106.225502], we carefully evaluated the performance of the density functional methods in the energetics of boron clusters and confirmed that the core-shell construction (stuffed fullerene) is thermodynamically the most favorable structural pattern for B80. Our global minimum search showed that both B101 and B103 also prefer a core-shell structure and that B103 can reach the complete core-shell configuration. We called for great attention to the theoretical community when using density functionals to investigate boron-related nanomaterials.

CORAL: aligning conserved core regions across domain families.

PubMed

Fong, Jessica H; Marchler-Bauer, Aron

2009-08-01

Homologous protein families share highly conserved sequence and structure regions that are frequent targets for comparative analysis of related proteins and families. Many protein families, such as the curated domain families in the Conserved Domain Database (CDD), exhibit similar structural cores. To improve accuracy in aligning such protein families, we propose a profile-profile method CORAL that aligns individual core regions as gap-free units. CORAL computes optimal local alignment of two profiles with heuristics to preserve continuity within core regions. We benchmarked its performance on curated domains in CDD, which have pre-defined core regions, against COMPASS, HHalign and PSI-BLAST, using structure superpositions and comprehensive curator-optimized alignments as standards of truth. CORAL improves alignment accuracy on core regions over general profile methods, returning a balanced score of 0.57 for over 80% of all domain families in CDD, compared with the highest balanced score of 0.45 from other methods. Further, CORAL provides E-values to aid in detecting homologous protein families and, by respecting block boundaries, produces alignments with improved 'readability' that facilitate manual refinement. CORAL will be included in future versions of the NCBI Cn3D/CDTree software, which can be downloaded at http://www.ncbi.nlm.nih.gov/Structure/cdtree/cdtree.shtml. Supplementary data are available at Bioinformatics online.

Honeycomb Films with Core-Shell Dispersed Phases Prepared by the Combination of Breath Figures and Phase Separation Process of Ternary Blends.

PubMed

Del Campo, A; de León, A S; Rodríguez-Hernández, J; Muñoz-Bonilla, A

2017-03-21

Herein, we propose a strategy to fabricate core-shell microstructures ordered in hexagonal arrays by combining the breath figures approach and phase separation of immiscible ternary blends. This simple strategy to fabricate these structures involves only the solvent casting of a ternary polymer blend under moist atmosphere, which provides a facile and low-cost fabrication method to obtain the porous structures with a core-shell morphology. For this purpose, blends consisting of polystyrene (PS) as a major component and PS 40 -b-P(PEGMA300) 48 amphiphilic copolymer and polydimethylsiloxane (PDMS) as minor components were dissolved in tetrahydrofuran and cast onto glass wafers under humid conditions, 70% of relative humidity. The resulting porous morphologies were characterized by optical and confocal Raman microscopy. In particular, confocal Raman results demonstrated the formation of core-shell morphologies into the ordered pores, in which the PS forms the continuous matrix, whereas the other two phases are located into the cavities (PDMS is the core while the amphiphilic copolymer is the shell). Besides, by controlling the weight ratio of the polymer blends, the structural parameters of the porous structure such as pore diameter and the size of the core can be effectively tuned.

Mineralogical modeling of the anisotropic inner core based on the phase relations and elasticity of iron and iron alloys under the Earth's core condition

NASA Astrophysics Data System (ADS)

Kuwayama, Y.; Tsuchiya, T.; Ohishi, Y.

2011-12-01

The inner-core and the outer-core, which make up the center of the Earth, are thought to be composed predominantly of a solid and liquid iron alloying with 5 to 15 % nickel, respectively. Determination of the physical properties of iron alloy at extremely high pressures found in the deep Earth's core (>300 GPa) is a fundamental issue for understanding the thermal and dynamical state of the Earth's core. According to seismological observations, it is widely accepted that the Earth's inner-core is elastically anisotropic; the compressional wave in the inner-core propagates 3~4 % faster along its rotational axis than in the equatorial direction. A number of models on core dynamics have been proposed to explain the origin of the inner-core anisotropy, but all of them are based on the idea of the crystal preferred orientation of iron. The phase relation of iron at high pressures has been extensively studied using LH-DACs. At relatively low temperatures, around room temperature, the phase relations are already well established; a low pressure phase with a bcc structure transforms into an hcp structure above ~10 GPa and it persists above 300 GPa. In contrast, the phase relations of iron at high temperatures are highly controversial. Some experiments assigned different crystal structures including orthorhombic, dhcp, fcc, and bcc as candidate stable crystal structures, whereas others suggested that the hcp structure remains stable at high temperatures. Despite considerable attention on these new phases, there is, however, no experimental reproducibility. The lack of plausible data is mainly because of the substantial difficulties associated with high-temperature experiments at multimegabar pressures. In order to overcome these difficulties, we have developed experimental techniques using a laser-heated diamond-anvil cell for the past decade and succeeded in obtaining excellent quality data under extremely high-pressure and high-temperature conditions. In order to investigate the nature of the Earth's inner core, we conducted a series of high P-T experiments on various iron-rich iron-alloys using laser-heated diamond anvil cells on the basis of in-situ x-ray diffraction measurements at SPring-8, Japan, along with ab-initio density functional simulations, under the Earth's core condition. Here we will present a mineralogical model of the observed anisotropy in the inner core based on the experimental and theoretical studies on the phase relations and physical properties of iron-alloys.

Comparative Analysis of Hexagonal Solid Silica and Nitro-benzene Filled Hollow Core Photonic Crystal Fiber

NASA Astrophysics Data System (ADS)

Shahiruddin; Singh, Dharmendra K.; Hassan, M. A.

2018-02-01

A comparative study of five ring solid core and nitrobenzene filled hollow core liquid filled photonic crystal fiber (PCF) are presented. Considering the same structure, one is used as solid silica and another one is filled with nitrobenzene in the core. Here the paper elaborates the confinement loss, dispersion properties and birefringence of an index-guiding PCF with asymmetric cladding designed and analyzed by the finite-element method. The proposed structure shows the low confinement loss in case of solid silica, negative dispersion in nitrobenzene filled hollow core PCF and high birefringence in both the cases. The calculated values shows flat zero confinement loss in 0.7 µm to 1.54 µm range, flat zero dispersion is achieved in solid core and -2000 ps/km-nm in nitrobenzene filled hollow core PCF and high birefringence in the range of 10-3 in nitrobenzene filled hollow core PCF. Results show the relative analysis at different air fill fraction.

Vertically aligned P(VDF-TrFE) core-shell structures on flexible pillar arrays

PubMed Central

Choi, Yoon-Young; Yun, Tae Gwang; Qaiser, Nadeem; Paik, Haemin; Roh, Hee Seok; Hong, Jongin; Hong, Seungbum; Han, Seung Min; No, Kwangsoo

2015-01-01

PVDF and P(VDF-TrFE) nano- and micro- structures have been widely used due to their potential applications in several fields, including sensors, actuators, vital sign transducers, and energy harvesters. In this study, we developed vertically aligned P(VDF-TrFE) core-shell structures using high modulus polyurethane acrylate (PUA) pillars as the support structure to maintain the structural integrity. In addition, we were able to improve the piezoelectric effect by 1.85 times from 40 ± 2 to 74 ± 2 pm/V when compared to the thin film counterpart, which contributes to the more efficient current generation under a given stress, by making an effective use of the P(VDF-TrFE) thin top layer as well as the side walls. We attribute the enhancement of piezoelectric effects to the contributions from the shell component and the strain confinement effect, which was supported by our modeling results. We envision that these organic-based P(VDF-TrFE) core-shell structures will be used widely as 3D sensors and power generators because they are optimized for current generations by utilizing all surface areas, including the side walls of core-shell structures. PMID:26040539

Vertically aligned P(VDF-TrFE) core-shell structures on flexible pillar arrays

DOE PAGES

Choi, Yoon-Young; Yun, Tae Gwang; Qaiser, Nadeem; ...

2015-06-04

PVDF and P(VDF-TrFE) nano- and micro- structures are widely used due to their potential applications in several fields, including sensors, actuators, vital sign transducers, and energy harvesters. In this study, we developed vertically aligned P(VDF-TrFE) core-shell structures using high modulus polyurethane acrylate (PUA) pillars as the support structure to maintain the structural integrity. In addition, we were able to improve the piezoelectric effect by 1.85 times from 40 ± 2 to 74 ± 2 pm/V when compared to the thin film counterpart, which contributes to the more efficient current generation under a given stress, by making an effective use ofmore » the P(VDF-TrFE) thin top layer as well as the side walls. We attribute the enhancement of piezoelectric effects to the contributions from the shell component and the strain confinement effect, which was supported by our modeling results. We envision that these organic-based P(VDF-TrFE) core-shell structures will be used widely as 3D sensors and power generators because they are optimized for current generations by utilizing all surface areas, including the side walls of core-shell structures.« less

Radius of lunar core estimated by GRAIL results

NASA Astrophysics Data System (ADS)

Matsumoto, K.; Yamada, R.; Kikuchi, F.; Iwata, T.; Hanada, H.; Ishihara, Y.; Kamata, S.; Sasaki, S.

2013-12-01

Internal structure and composition of the Moon provide important clue and constraints on theories for how the Moon formed and evolved. The Apollo seismic network has contributed to the internal structure modeling. Efforts have been made to detect the lunar core from the noisy Apollo data (e.g., [1], [2]), but there is scant information about the structure below the deepest moonquakes at about 1000 km depth. On the other hand, there have been geodetic studies to infer the deep structure of the Moon. For example, LLR (Lunar Laser Ranging) data analyses detected a displacement of the lunar pole of rotation, indicating that dissipation is acting on the rotation arising from a fluid core [3]. Bayesian inversion using geodetic data (such as mass, moments of inertia, tidal Love numbers k2 and h2, and quality factor Q) also suggests a fluid core and partial melt in the lower mantle region [4]. Recent analyses of GRAIL data have achieved the improved k2 accuracy; JPL solution is 0.02405 × 0.00018 [5], and GSFC solution is 0.02427 × 0.00026 [6]. The two solutions are consistent with each other within their error bounds, and the accuracy of k2 is now about 1 %. Such an accurately-determined Love number will contribute to constrain the structure of the lunar deep interior, such as the radius of the possible liquid core. We used geodetic data of the mass, the mean moment of inertia, the Love numbers h2 and k2 to infer the size of liquid core. It is difficult to tightly constrain the internal structure from the geodetic data only because there are trade-offs among the structures of crust, mantle, and core. In our preliminary analysis we used a 5-layer model and the mantle structure was constrained by VPREMOON [2] with 5 % error for density and 10 % error for shear and bulk moduli being assumed. An inversion using Markov chain Monte Carlo method indicates that the core radius is 480 × 50 km, but the density values were sampled around the assumed lower limit of 3600 kg/m3. When the lower limit of the core density is raised to 5000 kg/m3, the estimated core radius gets smaller to be 380 × 50 km. A better estimate of the core parameters is expected by including Apollo seismic data into the analysis. References [1] Weber et al. (2011), Science, 331, 309-312, doi:10.1126/science.1199375 [2] Garcia et al. (2011), PEPI, doi:10.1016/j.pepi.2011.06.015 [3] Williams et al. (2001), JGR, 106, E11, 27,933-27,968 [4] Khan and Mosegaard (2005), GRL, 32, L22203, doi:10.1029/2005GL023985 [5] Konopliv et al (2013), JGR, 118, doi:10.1002/jgre.20097 [6] Taken from the PDS label of GRAIL Derived Data Products

Deciphering the shape and deformation of secondary structures through local conformation analysis

PubMed Central

2011-01-01

Background Protein deformation has been extensively analysed through global methods based on RMSD, torsion angles and Principal Components Analysis calculations. Here we use a local approach, able to distinguish among the different backbone conformations within loops, α-helices and β-strands, to address the question of secondary structures' shape variation within proteins and deformation at interface upon complexation. Results Using a structural alphabet, we translated the 3 D structures of large sets of protein-protein complexes into sequences of structural letters. The shape of the secondary structures can be assessed by the structural letters that modeled them in the structural sequences. The distribution analysis of the structural letters in the three protein compartments (surface, core and interface) reveals that secondary structures tend to adopt preferential conformations that differ among the compartments. The local description of secondary structures highlights that curved conformations are preferred on the surface while straight ones are preferred in the core. Interfaces display a mixture of local conformations either preferred in core or surface. The analysis of the structural letters transition occurring between protein-bound and unbound conformations shows that the deformation of secondary structure is tightly linked to the compartment preference of the local conformations. Conclusion The conformation of secondary structures can be further analysed and detailed thanks to a structural alphabet which allows a better description of protein surface, core and interface in terms of secondary structures' shape and deformation. Induced-fit modification tendencies described here should be valuable information to identify and characterize regions under strong structural constraints for functional reasons. PMID:21284872

Deciphering the shape and deformation of secondary structures through local conformation analysis.

PubMed

Baussand, Julie; Camproux, Anne-Claude

2011-02-01

Protein deformation has been extensively analysed through global methods based on RMSD, torsion angles and Principal Components Analysis calculations. Here we use a local approach, able to distinguish among the different backbone conformations within loops, α-helices and β-strands, to address the question of secondary structures' shape variation within proteins and deformation at interface upon complexation. Using a structural alphabet, we translated the 3 D structures of large sets of protein-protein complexes into sequences of structural letters. The shape of the secondary structures can be assessed by the structural letters that modeled them in the structural sequences. The distribution analysis of the structural letters in the three protein compartments (surface, core and interface) reveals that secondary structures tend to adopt preferential conformations that differ among the compartments. The local description of secondary structures highlights that curved conformations are preferred on the surface while straight ones are preferred in the core. Interfaces display a mixture of local conformations either preferred in core or surface. The analysis of the structural letters transition occurring between protein-bound and unbound conformations shows that the deformation of secondary structure is tightly linked to the compartment preference of the local conformations. The conformation of secondary structures can be further analysed and detailed thanks to a structural alphabet which allows a better description of protein surface, core and interface in terms of secondary structures' shape and deformation. Induced-fit modification tendencies described here should be valuable information to identify and characterize regions under strong structural constraints for functional reasons.

A (1)H-NMR study on the effect of high pressures on beta-lactoglobulin.

PubMed

Belloque, J; López-Fandiño, R; Smith, G M

2000-09-01

1H NMR was used to study the effect of high pressure on changes in the structure of beta-lactoglobulin (beta-Lg), particularly the strongly bonded regions, the "core". beta-Lg was exposed to pressures ranging from 100 to 400 MPa at neutral pH. After depressurization and acidification to pH 2.0, (1)H NMR spectra were taken. Pressure-induced unfolding was studied by deuterium exchange. Refolding was also evaluated. Our results showed that the core was unaltered at 100 MPa but increased its conformational flexibility at >/=200 MPa. Even though the core was highly flexible at 400 MPa, its structure was found to be identical to the native structure after equilibration back to atmospheric pressure. It is suggested that pressure-induced aggregates are formed by beta-Lg molecules maintaining most of their structure, and the intermolecular -SS- bonds, formed by -SH/-SS- exchange reaction, are likely to involve C(66)-C(160) rather than C(106)-C(119). In addition, the beta-Lg variants A and B could be distinguished in a (1)H NMR spectrum from a solution made with the AB mixed variant, by the differences in chemical shifts of M(107) and C(106); structural implications are discussed. Under pressure, the core of beta-Lg A seemed to unfold faster than that of beta-LgB. The structural recovery of the core was full for both variants.

Dock ’n Roll: Folding of a Silk-Inspired Polypeptide into an Amyloid-like Beta Solenoid

PubMed Central

Zhao, Binwu; Cohen Stuart, Martien A.; Hall, Carol K.

2016-01-01

Polypeptides containing the motif ((GA)mGX)n occur in silk (we refer to them as ‘silk-like’) and have a strong tendency to self-assemble. For example, polypeptides containing (GAGAGAGX)n, where X = G or H have been observed to form filaments; similar sequences but with X = Q have been used in the design of coat proteins (capsids) for artificial viruses. The structure of the (GAGAGAGX)m filaments has been proposed to be a stack of peptides in a β roll structure with the hydrophobic side chains pointing outwards (hydrophobic shell). Another possible configuration, a β roll or β solenoid structure which has its hydrophobic side chains buried inside (hydrophobic core) was, however, overlooked. We perform ground state analysis as well as atomic-level molecular dynamics simulations, both on single molecules and on two-molecule stacks of the silk-inspired sequence (GAGAGAGQ)10, to decide whether the hydrophobic core or the hydrophobic shell configuration is the most stable one. We find that a stack of two hydrophobic core molecules is energetically more favorable than a stack of two shell molecules. A shell molecule initially placed in a perfect β roll structure tends to rotate its strands, breaking in-plane hydrogen bonds and forming out-of-plane hydrogen bonds, while a core molecule stays in the β roll structure. The hydrophobic shell structure has type II’ β turns whereas the core configuration has type II β turns; only the latter secondary structure agrees well with solid-state NMR experiments on a similar sequence (GA)15. We also observe that the core stack has a higher number of intra-molecular hydrogen bonds and a higher number of hydrogen bonds between stack and water than the shell stack. Hence, we conclude that the hydrophobic core configuration is the most likely structure. In the stacked state, each peptide has more intra-molecular hydrogen bonds than a single folded molecule, which suggests that stacking provides the extra stability needed for molecules to reach the folded state. PMID:26947809

Coring device with a improved core sleeve and anti-gripping collar with a collective core catcher

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

Story, A.L.; Filshtinsky, M.

1986-01-28

This patent describes an improved coring apparatus used in combination with a coring bit and drill string. This device consists of: an outer driving structure adapted to be connected at one end to the coring bit for cutting a core in a borehole, and at the other end to the lower end of the drill string in telescoping and co-rotatable manner therewith; an inner barrel disposed within the outer driving structure and including a lower end portion adjacent to the bit; first means supporting the inner barrel in spaced relationship to the outer driving structure while permitting rotation of themore » driving structure with respect to the inner barrel; a woven metal mesh sleeve mounted in surrounding relation on at least a portion of the exterior surface of the inner barrel; second means, connected to a free end of the sleeve opposite the leading portion of the sleeve, for maintaining the portion of the sleeve which surrounds the inner barrel in compression and to maintain an inside diameter greater than the outside diameter of the inner barrel of the portion of the sleeve surrounding the inner barrel while the portion of the sleeve positioned inside the inner barrel being in tension to grip and compress a core received within the sleeve and having an outside diameter less than the inside diameter of the inner barrel when in tension, wherein the second means is also for engaging the core when the means is drawn into the inner barrel, and third means positioned within the inner barrel and connected to the leading portion of the sleeve to draw the sleeve within the inner barrel and to apply tension to the portion of the sleeve within the barrel to encase and grip the core as it is cut.« less

Core/shell structured Zn/ZnO nanoparticles synthesized by gaseous laser ablation with enhanced photocatalysis efficiency

NASA Astrophysics Data System (ADS)

Song, Lu; Wang, Yafei; Ma, Jing; Zhang, Qinghua; Shen, Zhijian

2018-06-01

Zinc oxide (ZnO) is a competitive candidate in semiconductor photocatalysts, only if the efficiency could be fully optimized especially by tailored nanostructures. Here we report a kind of core/shell structured Zn/ZnO nanoparticles with enhanced photocatalysis efficiency, which were synthesized by a highly-productive gaseous laser ablation method. The nanodroplets generated by laser ablation would be reduced to zinc in the protective atmosphere, and further be oxidized at surface to form a specific core/shell structured Zn/ZnO nanoparticles within seconds. Thanks to the formation of this Zn-ZnO Schottky junction, the photocatalysis degradation efficiency of such core/shell Zn/ZnO nanostructure is significantly improved owing to the enhanced visible light absorption and inhibited carrier recombination by introducing the metallic zinc.

Direct Observation of Dislocation Core Structures in CdTe/GaAs(001).

PubMed

McGibbon, A J; Pennycook, S J; Angelo, J E

1995-07-28

A strategy is presented for determining sublattice polarity at defects in compound semiconductors. Core structures of 60-degree and Lomer dislocations in the CdTe/GaAs(001) system have been obtained by the application of maximum-entropy analysis to Z-contrast images (Z is atomic number) obtained in a 300-kilovolt scanning transmission electron microscope. Sixty-degree dislocations were observed to be of the glide type, whereas in the case of Lomer dislocations, both a symmetric (Hornstra-like) core and an unexpected asymmetric structure made up of a fourfold ring were seen.

Monolithic photonic crystals created by partial coalescence of core-shell particles.

PubMed

Lee, Joon-Seok; Lim, Che Ho; Yang, Seung-Man; Kim, Shin-Hyun

2014-03-11

Colloidal crystals and their derivatives have been intensively studied and developed during the past two decades due to their unique photonic band gap properties. However, complex fabrication procedures and low mechanical stability severely limit their practical uses. Here, we report stable photonic structures created by using colloidal building blocks composed of an inorganic core and an organic shell. The core-shell particles are convectively assembled into an opal structure, which is then subjected to thermal annealing. During the heat treatment, the inorganic cores, which are insensitive to heat, retain their regular arrangement in a face-centered cubic lattice, while the organic shells are partially fused with their neighbors; this forms a monolithic structure with high mechanical stability. The interparticle distance and therefore stop band position are precisely controlled by the annealing time; the distance decreases and the stop band blue shifts during the annealing. The composite films can be further treated to give a high contrast in the refractive index. The inorganic cores are selectively removed from the composite by wet etching, thereby providing an organic film containing regular arrays of air cavities. The high refractive index contrast of the porous structure gives rise to pronounced structural colors and high reflectivity at the stop band position.

Core-shell-structured nanothermites synthesized by atomic layer deposition

NASA Astrophysics Data System (ADS)

Qin, Lijun; Gong, Ting; Hao, Haixia; Wang, Keyong; Feng, Hao

2013-12-01

Thermite materials feature very exothermic solid-state redox reactions. However, the energy release rates of traditional thermite mixtures are limited by the reactant diffusion velocities. In this work, atomic layer deposition (ALD) is utilized to synthesize thermite materials with greatly enhanced reaction rates. By depositing certain types of metal oxides (oxidizers) onto a commercial Al nanopowder, core-shell-structured nanothermites can be produced. The average film deposition rate on the Al nanopowder is 0.17 nm/cycle for ZnO and 0.031 nm/cycle for SnO2. The thickness of the oxidizer layer can be precisely controlled by adjusting the ALD cycle number. The compositions, morphologies, and structures of the ALD nanothermites are characterized by X-ray photoelectron spectroscopy, scanning electron microscopy, and high-resolution transmission electron microscopy. The characterization results reveal nearly perfect coverage of the Al nanoparticles by uniform ALD oxidizer layers and confirm the formation of core-shell nanoparticles. Combustion properties of the nanothermites are probed by laser ignition technique. Reactions of the core-shell-structured nanothermites are several times faster than the mixture of nanopowders. The promoted reaction rate is mostly attributed to the uniform distribution of reactants on the nanometer scale. These core-shell-structured nanothermites provide a potential pathway to control and enhance thermite reactions.

p53 targets chromatin structure alteration to repress alpha-fetoprotein gene expression.

PubMed

Ogden, S K; Lee, K C; Wernke-Dollries, K; Stratton, S A; Aronow, B; Barton, M C

2001-11-09

Many of the functions ascribed to p53 tumor suppressor protein are mediated through transcription regulation. We have shown that p53 represses hepatic-specific alpha-fetoprotein (AFP) gene expression by direct interaction with a composite HNF-3/p53 DNA binding element. Using solid-phase, chromatin-assembled AFP DNA templates and analysis of chromatin structure and transcription in vitro, we find that p53 binds DNA and alters chromatin structure at the AFP core promoter to regulate transcription. Chromatin assembled in the presence of hepatoma extracts is activated for AFP transcription with an open, accessible core promoter structure. Distal (-850) binding of p53 during chromatin assembly, but not post-assembly, reverses transcription activation concomitant with promoter inaccessibility to restriction enzyme digestion. Inhibition of histone deacetylase activity by trichostatin-A (TSA) addition, prior to and during chromatin assembly, activated chromatin transcription in parallel with increased core promoter accessibility. Chromatin immunoprecipitation analyses showed increased H3 and H4 acetylated histones at the core promoter in the presence of TSA, while histone acetylation remained unchanged at the site of distal p53 binding. Our data reveal that p53 targets chromatin structure alteration at the core promoter, independently of effects on histone acetylation, to establish repressed AFP gene expression.

Nucleoporins as components of the nuclear pore complex core structure and Tpr as the architectural element of the nuclear basket.

PubMed

Krull, Sandra; Thyberg, Johan; Björkroth, Birgitta; Rackwitz, Hans-Richard; Cordes, Volker C

2004-09-01

The vertebrate nuclear pore complex (NPC) is a macromolecular assembly of protein subcomplexes forming a structure of eightfold radial symmetry. The NPC core consists of globular subunits sandwiched between two coaxial ring-like structures of which the ring facing the nuclear interior is capped by a fibrous structure called the nuclear basket. By postembedding immunoelectron microscopy, we have mapped the positions of several human NPC proteins relative to the NPC core and its associated basket, including Nup93, Nup96, Nup98, Nup107, Nup153, Nup205, and the coiled coil-dominated 267-kDa protein Tpr. To further assess their contributions to NPC and basket architecture, the genes encoding Nup93, Nup96, Nup107, and Nup205 were posttranscriptionally silenced by RNA interference (RNAi) in HeLa cells, complementing recent RNAi experiments on Nup153 and Tpr. We show that Nup96 and Nup107 are core elements of the NPC proper that are essential for NPC assembly and docking of Nup153 and Tpr to the NPC. Nup93 and Nup205 are other NPC core elements that are important for long-term maintenance of NPCs but initially dispensable for the anchoring of Nup153 and Tpr. Immunogold-labeling for Nup98 also results in preferential labeling of NPC core regions, whereas Nup153 is shown to bind via its amino-terminal domain to the nuclear coaxial ring linking the NPC core structures and Tpr. The position of Tpr in turn is shown to coincide with that of the nuclear basket, with different Tpr protein domains corresponding to distinct basket segments. We propose a model in which Tpr constitutes the central architectural element that forms the scaffold of the nuclear basket.

A coarse grained molecular dynamics simulation study on the structural properties of carbon nanotube-dendrimer composites.

PubMed

Kavyani, Sajjad; Dadvar, Mitra; Modarress, Hamid; Amjad-Iranagh, Sepideh

2018-04-25

By employing coarse grained (CG) molecular dynamics (MD) simulation, the effect of the size and hydrophilic/hydrophobic properties of the interior/exterior structures of the dendrimers in carbon nanotube (CNT)-dendrimer composites has been studied, to find a stable composite with high solubility in water and the capability to be used in drug delivery applications. For this purpose, composites consisting of core-shell dendrimer complexes including: [PPI{core}-PAMAM{shell}], [PAMAM{core}-polyethyleneglycol (PEG){shell}] and [PAMAM{core}-fattyacid (FTA){shell}] were constructed. A new CG model for the fatty acid (FTA) molecules as functionalized to the dendrimer was developed, which, unlike the previous models, could generate the structural conformations of the FTA properly. The obtained results indicated that the dendrimer complexes with short FTA chains can form stable composites with the CNT. Also, it was found that the pristine PAMAM and PPI-PAMAM with small PPI, and PAMAM-PEG dendrimers with short PEG chains, can distribute their chains into the water medium and interact with the CNT efficiently, to form a stable water-soluble CNT-dendrimer composite. The results demonstrated that the structural difference between the interior and exterior of a core-shell dendrimer complex can prevent the core and the interior layers of the dendrimer complex from interacting with the CNT. An overall analysis of the results manifested that the CNT-PAMAM:4-PEG:4 is the most stable composite, due to strong binding of the dendrimer with the CNT while also having high solubility in water, and its core retains its structure properly and unchanged, suitable for encapsulating drugs in the targeted delivery applications.

Evidence that the assembly of the yeast cytochrome bc1 complex involves the formation of a large core structure in the inner mitochondrial membrane.

PubMed

Zara, Vincenzo; Conte, Laura; Trumpower, Bernard L

2009-04-01

The assembly status of the cytochrome bc(1) complex has been analyzed in distinct yeast deletion strains in which genes for one or more of the bc(1) subunits were deleted. In all the yeast strains tested, a bc(1) sub-complex of approximately 500 kDa was found when the mitochondrial membranes were analyzed by blue native electrophoresis. The subsequent molecular characterization of this sub-complex, carried out in the second dimension by SDS/PAGE and immunodecoration, revealed the presence of the two catalytic subunits, cytochrome b and cytochrome c(1), associated with the noncatalytic subunits core protein 1, core protein 2, Qcr7p and Qcr8p. Together, these bc(1) subunits build up the core structure of the cytochrome bc(1) complex, which is then able to sequentially bind the remaining subunits, such as Qcr6p, Qcr9p, the Rieske iron-sulfur protein and Qcr10p. This bc(1) core structure may represent a true assembly intermediate during the maturation of the bc(1) complex; first, because of its wide distribution in distinct yeast deletion strains and, second, for its characteristics of stability, which resemble those of the intact homodimeric bc(1) complex. By contrast, the bc(1) core structure is unable to interact with the cytochrome c oxidase complex to form respiratory supercomplexes. The characterization of this novel core structure of the bc(1) complex provides a number of new elements clarifying the molecular events leading to the maturation of the yeast cytochrome bc(1) complex in the inner mitochondrial membrane.

Evidence that assembly of the yeast cytochrome bc1 complex involves formation of a large core structure in the inner mitochondrial membrane

PubMed Central

Zara, Vincenzo; Conte, Laura; Trumpower, Bernard L.

2009-01-01

The assembly status of the cytochrome bc1 complex has been analyzed in distinct yeast deletion strains in which genes for one or more of the bc1 subunits had been deleted. In all the yeast strains tested a bc1 sub-complex of about 500 kDa was found when the mitochondrial membranes were analyzed by blue native electrophoresis. The subsequent molecular characterization of this sub-complex, carried out in the second dimension by SDS-PAGE and immunodecoration, revealed the presence of the two catalytic subunits cytochrome b and cytochrome c1, associated with the non catalytic subunits core protein 1, core protein 2, Qcr7p and Qcr8p. Altogether these bc1 subunits build up the core structure of the cytochrome bc1 complex which is then able to sequentially bind the remaining subunits, such as Qcr6p, Qcr9p, the Rieske iron-sulfur protein and Qcr10p. This bc1 core structure may represent a true assembly intermediate during the maturation of the bc1 complex, first because of its wide distribution in distinct yeast deletion strains and second for its characteristics of stability which resemble those of the intact homodimeric bc1 complex. Differently from this latter, however, the bc1 core structure is not able to interact with the cytochrome c oxidase complex to form respiratory supercomplexes. The characterization of this novel core structure of the bc1 complex provides a number of new elements for clarification of the molecular events leading to the maturation of the yeast cytochrome bc1 complex in the inner mitochondrial membrane. PMID:19236481

Metal-Organic Frameworks Derived Porous Core/Shell Structured ZnO/ZnCo2O4/C Hybrids as Anodes for High-Performance Lithium-Ion Battery.

PubMed

Ge, Xiaoli; Li, Zhaoqiang; Wang, Chengxiang; Yin, Longwei

2015-12-09

Metal-organic frameworks (MOFs) derived porous core/shell ZnO/ZnCo2O4/C hybrids with ZnO as a core and ZnCo2O4 as a shell are for the first time fabricated by using core/shell ZnCo-MOF precursors as reactant templates. The unique MOFs-derived core/shell structured ZnO/ZnCo2O4/C hybrids are assembled from nanoparticles of ZnO and ZnCo2O4, with homogeneous carbon layers coated on the surface of the ZnCo2O4 shell. When acting as anode materials for lithium-ion batteries (LIBs), the MOFs-derived porous ZnO/ZnCo2O4/C anodes exhibit outstanding cycling stability, high Coulombic efficiency, and remarkable rate capability. The excellent electrochemical performance of the ZnO/ZnCo2O4/C LIB anodes can be attributed to the synergistic effect of the porous structure of the MOFs-derived core/shell ZnO/ZnCo2O4/C and homogeneous carbon layer coating on the surface of the ZnCo2O4 shells. The hierarchically porous core/shell structure offers abundant active sites, enhances the electrode/electrolyte contact area, provides abundant channels for electrolyte penetration, and also alleviates the structure decomposition induced by Li(+) insertion/extraction. The carbon layers effectively improve the conductivity of the hybrids and thus enhance the electron transfer rate, efficiently prevent ZnCo2O4 from aggregation and disintegration, and partially buffer the stress induced by the volume change during cycles. This strategy may shed light on designing new MOF-based hybrid electrodes for energy storage and conversion devices.

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

Wang Shumin; Tian Hongwei; Pei Yanhui

A novel hedgehog-like core/shell structure, consisting of a high density of vertically aligned graphene sheets and a thin graphene shell/a copper core (VGs-GS/CC), has been synthesized via a simple one-step synthesis route using radio-frequency plasma-enhanced chemical vapor deposition (RF-PECVD). Scanning and transmission electron microscopy investigations show that the morphology of this core/shell material could be controlled by deposition time. For a short deposition time, only multilayer graphene shell tightly surrounds the copper particle, while as the deposition time is relative long, graphene sheets extend from the surface of GS/CC. The GS can protect CC particles from oxidation. The growth mechanismmore » for the obtained GS/CC and VGs-GS/CC has been revealed. Compared to VGs, VGs-GS/CC material exhibits a better electron field emission property. This investigation opens a possibility for designing a core/shell structure of different carbon-metal hybrid materials for a wide variety of practical applications. - Graphical abstract: With increasing deposition time, graphene sheets extend from the surface of GS/CC, causing the multilayer graphene encapsulated copper to be converted into vertically aligned graphene sheets-graphene shell/copper core structure. Highlights: Black-Right-Pointing-Pointer A novel hedgehog-like core/shell structure has been synthesized. Black-Right-Pointing-Pointer The structure consists of vertical graphene sheets-graphene shell and copper core. Black-Right-Pointing-Pointer The morphology of VGs-GS/CC can be controlled by choosing a proper deposition time. Black-Right-Pointing-Pointer With increasing deposition time, graphene sheets extend from the surface of GS/CC. Black-Right-Pointing-Pointer VGs-GS/CC exhibits a better electron field emission property as compared with VGs.« less

Ligand structure and mechanical properties of single-nanoparticle-thick membranes.

PubMed

Salerno, K Michael; Bolintineanu, Dan S; Lane, J Matthew D; Grest, Gary S

2015-06-01

The high mechanical stiffness of single-nanoparticle-thick membranes is believed to result from the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with a nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH(3)) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Moreover, the particular end group (COOH or CH(3)) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.

Theoretical Background and Prognostic Modeling for Benchmarking SHM Sensors for Composite Structures

DTIC Science & Technology

2010-10-01

minimum flaw size can be detected by the existing SHM based monitoring methods. Sandwich panels with foam , WebCore and honeycomb structures were...Whether it be hat stiffened, corrugated sandwich, honeycomb sandwich, or foam filled sandwich, all composite structures have one basic handicap in...based monitoring methods. Sandwich panels with foam , WebCore and honeycomb structures were considered for use in this study. Eigenmode frequency

Three-phase inductive-coupled structures for contactless PHEV charging system

NASA Astrophysics Data System (ADS)

Lee, Jia-You; Shen, Hung-Yu; Li, Cheng-Bin

2016-07-01

In this article, a new-type three-phase inductive-coupled structure is proposed for the contactless plug-in hybrid electric vehicle (PHEV) charging system regarding with SAE J-1773. Four possible three-phase core structures are presented and subsequently investigated by the finite element analysis. To study the correlation between the core geometric parameter and the coupling coefficient, the magnetic equivalent circuit model of each structure is also established. In accordance with the simulation results, the low reluctance and the sharing of flux path in the core material are achieved by the proposed inductive-coupled structure with an arc-shape and three-phase symmetrical core material. It results in a compensation of the magnetic flux between each phase and a continuous flow of the output power in the inductive-coupled structure. Higher coupling coefficient between inductive-coupled structures is achieved. A comparison of coupling coefficient, mutual inductance, and self-inductance between theoretical and measured results is also performed to verify the proposed model. A 1 kW laboratory scale prototype of the contactless PHEV charging system with the proposed arc-shape three-phase inductive-coupled structure is implemented and tested. An overall system efficiency of 88% is measured when two series lithium iron phosphate battery packs of 25.6 V/8.4 Ah are charged.

Understanding luminescence properties of grain boundaries in GaN thin films and their atomistic origin

NASA Astrophysics Data System (ADS)

Yoo, Hyobin; Yoon, Sangmoon; Chung, Kunook; Kang, Seoung-Hun; Kwon, Young-Kyun; Yi, Gyu-Chul; Kim, Miyoung

2018-03-01

We report our findings on the optical properties of grain boundaries in GaN films grown on graphene layers and discuss their atomistic origin. We combine electron backscatter diffraction with cathodoluminescence to directly correlate the structural defects with their optical properties, enabling the high-precision local luminescence measurement of the grain boundaries in GaN films. To further understand the atomistic origin of the luminescence properties, we carefully probed atomic core structures of the grain boundaries by exploiting aberration-corrected scanning transmission electron microscopy. The atomic core structures of grain boundaries show different ordering behaviors compared with those observed previously in threading dislocations. Energetics of the grain boundary core structures and their correlation with electronic structures were studied by first principles calculation.

TFIIH Subunit Alterations Causing Xeroderma Pigmentosum and Trichothiodystrophy Specifically Disturb Several Steps during Transcription

PubMed Central

Singh, Amita; Compe, Emanuel; Le May, Nicolas; Egly, Jean-Marc

2015-01-01

Mutations in genes encoding the ERCC3 (XPB), ERCC2 (XPD), and GTF2H5 (p8 or TTD-A) subunits of the transcription and DNA-repair factor TFIIH lead to three autosomal-recessive disorders: xeroderma pigmentosum (XP), XP associated with Cockayne syndrome (XP/CS), and trichothiodystrophy (TTD). Although these diseases were originally associated with defects in DNA repair, transcription deficiencies might be also implicated. By using retinoic acid receptor beta isoform 2 (RARB2) as a model in several cells bearing mutations in genes encoding TFIIH subunits, we observed that (1) the recruitment of the TFIIH complex was altered at the activated RARB2 promoter, (2) TFIIH participated in the recruitment of nucleotide excision repair (NER) factors during transcription in a manner different from that observed during NER, and (3) the different TFIIH variants disturbed transcription by having distinct consequences on post-translational modifications of histones, DNA-break induction, DNA demethylation, and gene-loop formation. The transition from heterochromatin to euchromatin was disrupted depending on the variant, illustrating the fact that TFIIH, by contributing to NER factor recruitment, orchestrates chromatin remodeling. The subtle transcriptional differences found between various TFIIH variants thus participate in the phenotypic variability observed among XP, XP/CS, and TTD individuals. PMID:25620205

Constraints on Mercury's Core-Mantle Boundary Region

NASA Astrophysics Data System (ADS)

Hauck, S. A., II; Chabot, N. L.; Sun, P.; Jing, Z.; Johnson, C. L.; Margot, J. L.; Padovan, S.; Peale, S. J.; Phillips, R. J.; Solomon, S. C.

2014-12-01

Understanding the boundary between a planet's metallic core and silicate mantle is important for constraining processes that dominate on either side of this boundary. Geophysical measurements of the planet Mercury by the MESSENGER spacecraft have provided evidence of a core larger than earlier, less-constrained estimates. Further, these results, taken in concert with measurements of the elemental composition of the surface by MESSENGER, have led to the suggestion that the uppermost layer of the outer core may be highly enriched in sulfur, and the top of the core may consist of a solid sulfide layer. The low iron and relatively large sulfur contents of the surface indicate highly reducing conditions during planet formation, placing constraints on the potential composition of Mercury's core. Recent metal-silicate partitioning experiments have developed new limits on the amount of sulfur and silicon that may partition into the core as a function of sulfur abundance at the surface. Models for the planet's internal structure constrained by the current best estimates of the bulk density, normalized polar moment of inertia, and fraction of the polar moment of inertia of the solid layer that extends from the surface to the top of the liquid outer core provide an important view of the layering and bulk composition of Mercury. By combining the results of these internal structure models with the experimental relationship between core and mantle composition we place new limits on core composition and structure. Further, imposing measured compositional constraints on the miscibility of iron-sulfur-silicon alloys yields important limits on the presence or absence of an immiscible sulfur-rich liquid layer or a solid sulfide layer at the top of the core.

WIDE-FIELD INFRARED POLARIMETRY OF THE ρ OPHIUCHI CLOUD CORE

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

Kwon, Jungmi; Tamura, Motohide; Kusakabe, Nobuhiko

2015-09-15

We conducted wide and deep simultaneous JHK{sub s}-band imaging polarimetry of the ρ Ophiuchi cloud complex. Aperture polarimetry in the JHK{sub s} band was conducted for 2136 sources in all three bands, of which 322 sources have significant polarizations in all the JHK{sub s} bands and have been used for a discussion of the core magnetic fields. There is a positive correlation between degrees of polarization and H − K{sub s} color up to H − K{sub s} ≈ 3.5. The magnetic field structures in the core region are revealed up to at least A{sub V} ≈ 47 mag andmore » are unambiguously defined in each sub-region (core) of Oph-A, Oph-B, Oph-C, Oph-E, Oph-F, and Oph-AC. Their directions, degrees of polarization, and polarization efficiencies differ but their changes are gradual; thus, the magnetic fields appear to be connected from core to core, rather than as a simple overlap of the different cloud core components. Comparing our results with the large-scale field structures obtained from previous optical polarimetric studies, we suggest that the magnetic field structures in the core were distorted by the cluster formation in this region, which may have been induced by shock compression due to wind/radiation from the Scorpius–Centaurus association.« less

Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earth's core

NASA Astrophysics Data System (ADS)

Fischer, Rebecca A.; Campbell, Andrew J.; Caracas, Razvan; Reaman, Daniel M.; Dera, Przymyslaw; Prakapenka, Vitali B.

2012-12-01

The outer core of the Earth contains several weight percent of one or more unknown light elements, which may include silicon. Therefore it is critical to understand the high pressure-temperature properties and behavior of an iron-silicon alloy with a geophysically relevant composition (16 wt% silicon). We experimentally determined the melting curve, subsolidus phase diagram, and equations of state of all phases of Fe-16 wt%Si to 140 GPa, finding a conversion from the D03 crystal structure to a B2+hcp mixture at high pressures. The melting curve implies that 3520 K is a minimum temperature for the Earth's outer core, if it consists solely of Fe-Si alloy, and that the eutectic composition in the Fe-Si system is less than 16 wt% silicon at core-mantle boundary conditions. Comparing our new equation of state to that of iron and the density of the core, we find that for an Fe-Ni-Si outer core, 11.3±1.5 wt% silicon would be required to match the core's observed density at the core-mantle boundary. We have also performed first-principles calculations of the equations of state of Fe3Si with the D03 structure, hcp iron, and FeSi with the B2 structure using density-functional theory.

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

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Improved Fabrication of Ceramic Matrix Composite/Foam Core Integrated Structures

NASA Technical Reports Server (NTRS)

Hurwitz, Frances I.

2009-01-01

The use of hybridized carbon/silicon carbide (C/SiC) fabric to reinforce ceramic matrix composite face sheets and the integration of such face sheets with a foam core creates a sandwich structure capable of withstanding high-heatflux environments (150 W/cm2) in which the core provides a temperature drop of 1,000 C between the surface and the back face without cracking or delamination of the structure. The composite face sheet exhibits a bilinear response, which results from the SiC matrix not being cracked on fabrication. In addition, the structure exhibits damage tolerance under impact with projectiles, showing no penetration to the back face sheet. These attributes make the composite ideal for leading edge structures and control surfaces in aerospace vehicles, as well as for acreage thermal protection systems and in high-temperature, lightweight stiffened structures. By tailoring the coefficient of thermal expansion (CTE) of a carbon fiber containing ceramic matrix composite (CMC) face sheet to match that of a ceramic foam core, the face sheet and the core can be integrally fabricated without any delamination. Carbon and SiC are woven together in the reinforcing fabric. Integral densification of the CMC and the foam core is accomplished with chemical vapor deposition, eliminating the need for bond-line adhesive. This means there is no need to separately fabricate the core and the face sheet, or to bond the two elements together, risking edge delamination during use. Fibers of two or more types are woven together on a loom. The carbon and ceramic fibers are pulled into the same pick location during the weaving process. Tow spacing may be varied to accommodate the increased volume of the combined fiber tows while maintaining a target fiber volume fraction in the composite. Foam pore size, strut thickness, and ratio of face sheet to core thickness can be used to tailor thermal and mechanical properties. The anticipated CTE for the hybridized composite is managed by the choice of constituents, varying fiber tow sizes and constituent part ratios. This structural concept provides high strength and stiffness at low density 1.06 g/cm3 in panels tested. Varieties of face sheet constructions are possible, including variations in fiber type and weave geometry. The integrated structures possible with this composite could eliminate the need for non-load-bearing thermal protection systems on top of a structural component. The back sheet can readily be integrated to substructures through the incorporation of ribs. This would eliminate weight and cost for aerospace missions.

Reconsideration of F-layer seismic model in the south polar region

NASA Astrophysics Data System (ADS)

Ohtaki, T.; Kaneshima, S.

2017-12-01

Previously, we analyzed the seismic structure near the inner core boundary beneath Antarctica (Ohtaki et al., 2012). In the study, we determined the velocity of the lowermost outer core (F-layer) using amplitude ratio observations between the inner-core phase (PKIKP) and the inner-core grazing/diffracted phase (PKPbc/c-diff). Because the observations are not so sensitive to the F-layer structure, a constant velocity is assumed in the layer to simplify the model. The obtained model (SPR) has a flat velocity zone with a 75 km thick on the inner core boundary. With this F-layer structure and using travel times of these phases as well as the phase that reflects at the boundary, we determined the seismic structure of the inner core in the south polar region. However, a constant velocity layer is unrealistic, although it is reasonable assumption.Recently, we determined F-layer velocity structures more accurately using the combined observations of PKiKP-PKPbc differential travel times and of PKPbc/c-diff dispersion (Ohtaki et al., 2015, 2016). The former observation is sensitive to average velocity in the F-layer; the latter to velocity gradient in the layer. By analyzing these two observations together, we can determine the detailed velocity structure in the F-layer. The surveyed areas are beneath the Northeast Pacific and Australia. The seismic velocity models obtained are quite different between the two regions. Thus our results require laterally heterogeneous F-layer, and show that F-layer is more complicated than we ever imagined.Then there is one question; which structure is that of the south polar region close to? Unfortunately, the seismic waveforms that we analyzed in the previous study may not have quality high enough to analyze the PKiKP-PKPbc or PKPbc dispersion. However, it would be meaningful to reanalyze the amplitude data and reconsider the F-layer velocity there. And we also estimate how large slope of velocity can be acceptable for the F-layer velocity structure in this region.

Shivering heat production and body fat protect the core from cooling during body immersion, but not during head submersion: a structural equation model.

PubMed

Pretorius, Thea; Lix, Lisa; Giesbrecht, Gordon

2011-03-01

Previous studies showed that core cooling rates are similar when only the head or only the body is cooled. Structural equation modeling was used on data from two cold water studies involving body-only, or whole body (including head) cooling. Exposure of both the body and head increased core cooling, while only body cooling elicited shivering. Body fat attenuates shivering and core cooling. It is postulated that this protection occurs mainly during body cooling where fat acts as insulation against cold. This explains why head cooling increases surface heat loss with only 11% while increasing core cooling by 39%. Copyright © 2011 Elsevier Ltd. All rights reserved.

Multicore and GPU algorithms for Nussinov RNA folding

PubMed Central

2014-01-01

Background One segment of a RNA sequence might be paired with another segment of the same RNA sequence due to the force of hydrogen bonds. This two-dimensional structure is called the RNA sequence's secondary structure. Several algorithms have been proposed to predict an RNA sequence's secondary structure. These algorithms are referred to as RNA folding algorithms. Results We develop cache efficient, multicore, and GPU algorithms for RNA folding using Nussinov's algorithm. Conclusions Our cache efficient algorithm provides a speedup between 1.6 and 3.0 relative to a naive straightforward single core code. The multicore version of the cache efficient single core algorithm provides a speedup, relative to the naive single core algorithm, between 7.5 and 14.0 on a 6 core hyperthreaded CPU. Our GPU algorithm for the NVIDIA C2050 is up to 1582 times as fast as the naive single core algorithm and between 5.1 and 11.2 times as fast as the fastest previously known GPU algorithm for Nussinov RNA folding. PMID:25082539

Highly efficient near-infrared light-emitting diodes by using type-II CdTe/CdSe core/shell quantum dots as a phosphor

NASA Astrophysics Data System (ADS)

Shen, Huaibin; Zheng, Ying; Wang, Hongzhe; Xu, Weiwei; Qian, Lei; Yang, Yixing; Titov, Alexandre; Hyvonen, Jake; Li, Lin Song

2013-11-01

In this paper, we present an innovative method for the synthesis of CdTe/CdSe type-II core/shell structure quantum dots (QDs) using ‘greener’ chemicals. The PL of CdTe/CdSe type-II core/shell structure QDs ranges from 600 to 820 nm, and the as-synthesized core/shell structures show narrow size distributions and stable and high quantum yields (50-75%). Highly efficient near-infrared light-emitting diodes (LEDs) have been demonstrated by employing the CdTe/CdSe type-II core/shell QDs as emitters. The devices fabricated based on these type-II core/shell QDs show color-saturated near-infrared emission from the QD layers, a low turn-on voltage of 1.55 V, an external quantum efficiency (EQE) of 1.59%, and a current density and maximum radiant emittance of 2.1 × 103 mA cm-2 and 17.7 mW cm-2 at 8 V it is the first report to use type-II core/shell QDs as near-infrared emitters and these results may offer a practicable platform for the realization of near-infrared QD-based light-emitting diodes, night-vision-readable displays, and friend/foe identification system.

Structural Interface Forms and Their Involvement in Stabilization of Multidomain Proteins or Protein Complexes.

PubMed

Dygut, Jacek; Kalinowska, Barbara; Banach, Mateusz; Piwowar, Monika; Konieczny, Leszek; Roterman, Irena

2016-10-18

The presented analysis concerns the inter-domain and inter-protein interface in protein complexes. We propose extending the traditional understanding of the protein domain as a function of local compactness with an additional criterion which refers to the presence of a well-defined hydrophobic core. Interface areas in selected homodimers vary with respect to their contribution to share as well as individual (domain-specific) hydrophobic cores. The basic definition of a protein domain, i.e., a structural unit characterized by tighter packing than its immediate environment, is extended in order to acknowledge the role of a structured hydrophobic core, which includes the interface area. The hydrophobic properties of interfaces vary depending on the status of interacting domains-In this context we can distinguish: (1) Shared hydrophobic cores (spanning the whole dimer); (2) Individual hydrophobic cores present in each monomer irrespective of whether the dimer contains a shared core. Analysis of interfaces in dystrophin and utrophin indicates the presence of an additional quasi-domain with a prominent hydrophobic core, consisting of fragments contributed by both monomers. In addition, we have also attempted to determine the relationship between the type of interface (as categorized above) and the biological function of each complex. This analysis is entirely based on the fuzzy oil drop model.

The Position/Structure Stability of Four ICRF2 Sources

NASA Technical Reports Server (NTRS)

Fomalont, Ed; Johnston, Kenneth; Fey, Alan; Boboltz, Dave; Oyama, Tomoaki; Honma, Mareki

2010-01-01

Four compact radio sources in the International Celestial Reference Frame (ICRF2) catalog were observed using phase referencing with the VLBA at 43, 23, and 8.6-GHz, and with VERA at 23-GHz over a one-year period. The goal was to determine the stability of the radio cores and to assess structure effects associated with positions in the ICRF2. Conclusions are: (1) 43-GHz VLBI high-resolution observations are often needed to determine the location of the radio core. (2) Over the observing period, the relative positions among the four radio cores were constant to 0.02 mas, suggesting that once the true radio core is identified, it remains stationary in the sky to this accuracy. (3) The emission in 0556+238, one of the four sources investigated and one of the 295 ICRF2 defining sources, was dominated by a strong component near the core and moved 0.1 mas during the year. (4) Comparison of the VLBA images at 43, 23, and 8.6-GHz with the ICRF2 positions suggests that the 8-GHz structure is often dominated by a bright non-core component. The measured ICRF2 position can be displaced more than 0.5 mas from the radio core and partake in the motion of the bright jet component.

Packing in protein cores

NASA Astrophysics Data System (ADS)

Gaines, J. C.; Clark, A. H.; Regan, L.; O'Hern, C. S.

2017-07-01

Proteins are biological polymers that underlie all cellular functions. The first high-resolution protein structures were determined by x-ray crystallography in the 1960s. Since then, there has been continued interest in understanding and predicting protein structure and stability. It is well-established that a large contribution to protein stability originates from the sequestration from solvent of hydrophobic residues in the protein core. How are such hydrophobic residues arranged in the core; how can one best model the packing of these residues, and are residues loosely packed with multiple allowed side chain conformations or densely packed with a single allowed side chain conformation? Here we show that to properly model the packing of residues in protein cores it is essential that amino acids are represented by appropriately calibrated atom sizes, and that hydrogen atoms are explicitly included. We show that protein cores possess a packing fraction of φ ≈ 0.56 , which is significantly less than the typically quoted value of 0.74 obtained using the extended atom representation. We also compare the results for the packing of amino acids in protein cores to results obtained for jammed packings from discrete element simulations of spheres, elongated particles, and composite particles with bumpy surfaces. We show that amino acids in protein cores pack as densely as disordered jammed packings of particles with similar values for the aspect ratio and bumpiness as found for amino acids. Knowing the structural properties of protein cores is of both fundamental and practical importance. Practically, it enables the assessment of changes in the structure and stability of proteins arising from amino acid mutations (such as those identified as a result of the massive human genome sequencing efforts) and the design of new folded, stable proteins and protein-protein interactions with tunable specificity and affinity.

Aerial View: SLS Intertank Arrives at Marshall for Critical Structural Testing

NASA Image and Video Library

2018-03-08

A structural test version of the intertank for NASA's new deep-space rocket, the Space Launch System, arrives at NASA’s Marshall Space Flight Center in Huntsville, Alabama, March 4, aboard the barge Pegasus. The intertank is the second piece of structural hardware for the massive SLS core stage built at NASA's Michoud Assembly Facility in New Orleans delivered to Marshall for testing. The structural test article will undergo critical testing as engineers push, pull and bend the hardware with millions of pounds of force to ensure it can withstand the forces of launch and ascent. The test hardware is structurally identical to the flight version of the intertank that will connect the core stage's two colossal propellant tanks, serve as the upper-connection point for the two solid rocket boosters and house critical avionics and electronics. Pegasus, originally used during the Space Shuttle Program, has been redesigned and extended to accommodate the SLS rocket's massive, 212-foot-long core stage -- the backbone of the rocket. The 310-foot-long barge will ferry the flight core stage from Michoud to other NASA centers for tests and launch.

Natural Biowaste-Cocoon-Derived Granular Activated Carbon-Coated ZnO Nanorods: A Simple Route To Synthesizing a Core-Shell Structure and Its Highly Enhanced UV and Hydrogen Sensing Properties.

PubMed

Saravanan, Adhimoorthy; Huang, Bohr-Ran; Kathiravan, Deepa; Prasannan, Adhimoorthy

2017-11-15

Granular activated carbon (GAC) materials were prepared via simple gas activation of silkworm cocoons and were coated on ZnO nanorods (ZNRs) by the facile hydrothermal method. The present combination of GAC and ZNRs shows a core-shell structure (where the GAC is coated on the surface of ZNRs) and is exposed by systematic material analysis. The as-prepared samples were then fabricated as dual-functional sensors and, most fascinatingly, the as-fabricated core-shell structure exhibits better UV and H 2 sensing properties than those of as-fabricated ZNRs and GAC. Thus, the present core-shell structure-based H 2 sensor exhibits fast responses of 11% (10 ppm) and 23.2% (200 ppm) with ultrafast response and recovery. However, the UV sensor offers an ultrahigh photoresponsivity of 57.9 A W -1 , which is superior to that of as-grown ZNRs (0.6 A W -1 ). Besides this, switching photoresponse of GAC/ZNR core-shell structures exhibits a higher switching ratio (between dark and photocurrent) of 1585, with ultrafast response and recovery, than that of as-grown ZNRs (40). Because of the fast adsorption ability of GAC, it was observed that the finest distribution of GAC on ZNRs results in rapid electron transportation between the conduction bands of GAC and ZNRs while sensing H 2 and UV. Furthermore, the present core-shell structure-based UV and H 2 sensors also well-retained excellent sensitivity, repeatability, and long-term stability. Thus, the salient feature of this combination is that it provides a dual-functional sensor with biowaste cocoon and ZnO, which is ecological and inexpensive.

Structure-driven turbulence in ``No man's Land''

NASA Astrophysics Data System (ADS)

Kosuga, Yusuke; Diamond, Patrick

2012-10-01

Structures are often observed in many physical systems. In tokamaks, for example, such structures are observed as density blobs and holes. Such density blobs and holes are generated at the tokamak edge, where strong gradient perturbations generate an outgoing blob and an incoming hole. Since density holes can propagate from the edge to the core, such structures may play an important role in understanding the phenomenology of the edge-core coupling region, so-called ``No Man's Land.'' In this work, we discuss the dynamics of such structures in real space. In particular, we consider the dynamics of density blobs and holes in the Hasegawa-Wakatani system. Specific questions addressed here include: i) how these structures extract free energy and enhance transport? how different is the relaxation driven by such structures from that driven by linear drift waves? ii) how these structures interact with shear flows? In particular, how these structures interact with a shear layer, which can absorb structures resonantly? iii) how can we calculate the coupled evolution of structures and shear flows? Implications for edge-core coupling problem are discussed as well.

Hollow Polycaprolactone Microspheres with/without a Single Surface Hole by Co-Electrospraying

PubMed Central

2017-01-01

We describe the co-electrospraying of hollow microspheres from a polycaprolactone (PCL) shell solution and various core solutions including water, cyclohexane, poly(ethylene oxide) (PEO), and polyethylene glycol (PEG), using different collectors. The morphologies of the resultant microspheres were characterized by scanning electron microscopy (SEM), confocal microscopy, and nano-X-ray computed tomography (nano-XCT). The core/shell solution miscibility played an important role in the co-electrospraying process and the formation of microsphere structures. Spherical particles were more likely to be produced from miscible combinations of core/shell solutions than from immiscible ones. Hollow PCL microspheres with a single hole in their surfaces were produced when an ethanol bath was used as the collector. The mechanism by which the core/shell structure is transformed into single-hole hollow microspheres is proposed to be primarily based on the evaporation through the shell and extraction by ethanol of the core solution and is described in detail. Additionally, we present a 3D macroscopic tubular structure composed of hollow PCL microspheres, directly assembled on a copper wire collector during co-electrospraying. SEM and nano-XCT confirm that microspheres in the 3D bulk structure remain hollow. PMID:28901145

Synthesis and thermal stability of W/WS{sub 2} inorganic fullerene-like nanoparticles with core-shell structure

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

Chang Lianxia; Yang Haibin; Fu Wuyou

W/WS{sub 2} inorganic fullerene-like (IF) nanoparticles with core-shell structure are synthesized by the reaction of tungsten nanospheres and sulfur at relatively low temperatures (380-600 deg. C) under hydrogen atmosphere, in which tungsten nanospheres were prepared by wire electrical explosion method. Images of transmission electron microscopy and high-resolution transmission electron microscopy show that the composite particles are of core-shell structure with spherical shape and the shell thickness is about 10 nm. X-ray powder diffraction results indicate that the interlayer spacing of IF-WS{sub 2} shell decreases and approaches that of 2H-WS{sub 2} with increasing annealing temperatures, representing an expansion of 3.3-1.6%. Amore » mechanism of IF-WS{sub 2} formation via sulfur diffusion into fullerene nanoparticles is discussed. Thermal analysis shows that the nanoparticles obtained at different temperatures exhibit similar thermal stability and the onset temperature of oxidization is about 410 deg. C. Encapsulating hard tungsten core into IF-WS{sub 2} and the spherical shape of the core-shell structures may enhance their performance in tribological applications.« less

Composites Based on Core-Shell Structured HBCuPc@CNTs-Fe3O4 and Polyarylene Ether Nitriles with Excellent Dielectric and Mechanical Properties

NASA Astrophysics Data System (ADS)

Pu, Zejun; Zhong, Jiachun; Liu, Xiaobo

2017-10-01

Core-shell structured magnetic carbon nanotubes (CNTs-Fe3O4) coated with hyperbranched copper phthalocyanine (HBCuPc) (HBCuPc@CNTs-Fe3O4) hybrids were prepared by the solvent-thermal method. The results indicated that the HBCuPc molecules were decorated on the surface of CNTs-Fe3O4 through coordination behavior of phthalocyanines, and the CNTs-Fe3O4 core was completely coaxial wrapped by a functional intermediate HBCuPc shell. Then, polymer-based composites with a relatively high dielectric constant and low dielectric loss were fabricated by using core-shell structured HBCuPc@CNTs-Fe3O4 hybrids as fillers and polyarylene ether nitriles (PEN) as the polymer matrix. The cross-sectional scanning electron microscopy (SEM) images of composites showed that there is almost no agglomeration and internal delamination. In addition, the rheological analysis reveals that the core-shell structured HBCuPc@CNTs-Fe3O4 hybrids present better dispersion and stronger interface adhesion with the PEN matrix than CNTs-Fe3O4, thus resulting in significant improvement of the mechanical, thermal and dielectric properties of polymer-based composites.

High-sensitivity O-glycomic analysis of mice deficient in core 2 β1,6-N-acetylglucosaminyltransferases

PubMed Central

Ismail, Mohd Nazri; Stone, Erica L; Panico, Maria; Lee, Seung Ho; Luu, Ying; Ramirez, Kevin; Ho, Samuel B; Fukuda, Minoru; Marth, Jamey D; Haslam, Stuart M; Dell, Anne

2011-01-01

Core 2 β1,6-N-acetylglucosaminyltransferase (C2GnT), which exists in three isoforms, C2GnT1, C2GnT2 and C2GnT3, is one of the key enzymes in the O-glycan biosynthetic pathway. These isoenzymes produce core 2 O-glycans and have been correlated with the biosynthesis of core 4 O-glycans and I-branches. Previously, we have reported mice with single and multiple deficiencies of C2GnT isoenzyme(s) and have evaluated the biological and structural consequences of the loss of core 2 function. We now present more comprehensive O-glycomic analyses of neutral and sialylated glycans expressed in the colon, small intestine, stomach, kidney, thyroid/trachea and thymus of wild-type, C2GnT2 and C2GnT3 single knockouts and the C2GnT1–3 triple knockout mice. Very high-quality data have emerged from our mass spectrometry techniques with the capability of detecting O-glycans up to at least 3500 Da. We were able to unambiguously elucidate the types of O-glycan core, branching location and residue linkages, which allowed us to exhaustively characterize structural changes in the knockout tissues. The C2GnT2 knockout mice suffered a major loss of core 2 O-glycans as well as glycans with I-branches on core 1 antennae especially in the stomach and the colon. In contrast, core 2 O-glycans still dominated the O-glycomic profile of most tissues in the C2GnT3 knockout mice. Analysis of the C2GnT triple knockout mice revealed a complete loss of both core 2 O-glycans and branched core 1 antennae, confirming that the three known isoenzymes are entirely responsible for producing these structures. Unexpectedly, O-linked mannosyl glycans are upregulated in the triple deficient stomach. In addition, our studies have revealed an interesting terminal structure detected on O-glycans of the colon tissues that is similar to the RM2 antigen from glycolipids. PMID:20855471

Structural Performance of a Compressively Loaded Foam-Core Hat-Stiffened Textile Composite Panel

NASA Technical Reports Server (NTRS)

Ambur, Damodar R.; Dexter, Benson H.

1996-01-01

A structurally efficient hat-stiffened panel concept that utilizes a structural foam as a stiffener core material has been designed and developed for aircraft primary structural applications. This stiffener concept is fabricated from textile composite material forms with a resin transfer molding process. This foam-filled hat-stiffener concept is structurally more efficient than most other prismatically stiffened panel configurations in a load range that is typical for both fuselage and wing structures. The panel design is based on woven/stitched and braided graphite-fiber textile preforms, an epoxy resin system, and Rohacell foam core. The structural response of this panel design was evaluated for its buckling and postbuckling behavior with and without low-speed impact damage. The results from single-stiffener and multi-stiffener specimen tests suggest that this structural concept responds to loading as anticipated and has excellent damage tolerance characteristics compared to a similar panel design made from preimpregnated graphite-epoxy tape material.

Structural Color Palettes of Core-Shell Photonic Ink Capsules Containing Cholesteric Liquid Crystals.

PubMed

Lee, Sang Seok; Seo, Hyeon Jin; Kim, Yun Ho; Kim, Shin-Hyun

2017-06-01

Photonic microcapsules with onion-like topology are microfluidically designed to have cholesteric liquid crystals with opposite handedness in their core and shell. The microcapsules exhibit structural colors caused by dual photonic bandgaps, resulting in a rich variety of color on the optical palette. Moreover, the microcapsules can switch the colors from either core or shell depending on the selection of light-handedness. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Coaxial Electrospinning and Characterization of Core-Shell Structured Cellulose Nanocrystal Reinforced PMMA/PAN Composite Fibers

PubMed Central

Li, Chao; Li, Qingde; Ni, Xiaohui; Liu, Guoxiang; Cheng, Wanli; Han, Guangping

2017-01-01

A modified coaxial electrospinning process was used to prepare composite nanofibrous mats from a poly(methyl methacrylate) (PMMA) solution with the addition of different cellulose nanocrystals (CNCs) as the sheath fluid and polyacrylonitrile (PAN) solution as the core fluid. This study investigated the conductivity of the as-spun solutions that increased significantly with increasing CNCs addition, which favors forming uniform fibers. This study discussed the effect of different CNCs addition on the morphology, thermal behavior, and the multilevel structure of the coaxial electrospun PMMA + CNCs/PAN composite nanofibers. A morphology analysis of the nanofibrous mats clearly demonstrated that the CNCs facilitated the production of the composite nanofibers with a core-shell structure. The diameter of the composite nanofibers decreased and the uniformity increased with increasing CNCs concentrations in the shell fluid. The composite nanofibrous mats had the maximum thermal decomposition temperature that was substantially higher than electrospun pure PMMA, PAN, as well as the core-shell PMMA/PAN nanocomposite. The BET (Brunauer, Emmett and Teller) formula results showed that the specific surface area of the CNCs reinforced core-shell composite significantly increased with increasing CNCs content. The specific surface area of the composite with 20% CNCs loading rose to 9.62 m2/g from 3.76 m2/g for the control. A dense porous structure was formed on the surface of the electrospun core-shell fibers. PMID:28772933

Blue phase liquid crystal phase transition for cyano compound chiral nematic liquid crystal mixtures with three two-ring core structures and chiral dopant concentrations

NASA Astrophysics Data System (ADS)

Shin, Jaesun; Kim, Beomjong; Jung, Wansu; Fahad, Mateen; Park, SangJin; Hong, Sung-Kyu

2017-05-01

Blue phase (BP) temperature range of a chiral nematic liquid crystal (LC) mixture is dependent upon the host nematic LC chemical structure and chiral dopant concentration. In this study, we investigated BP phase transition behaviour and helical twisting power (HTP) using three chiral dopant concentrations of cyano compound chiral nematic LC mixtures incorporating three two-ring core structures in the host nematic LCs. The effect of the host nematic LC core structure, HTP and chiral dopant concentrations were considered on BP temperature ranges, for two types of complete BPI and BPII without isotropic phase (Iso) and two types of coexistence state of BPI+Iso and BPII+Iso.

Enhanced performance of core-shell structured polyaniline at helical carbon nanotube hybrids for ammonia gas sensor

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

Tian, Xin; Wang, Qiang; Chen, Xiangnan

2014-11-17

A core-shell structured hybrid of polyaniline at helical carbon nanotubes was synthesized using in situ polymerization, which the helical carbon nanotubes were uniformly surrounded by a layer of polyaniline nanorods array. More interestingly, repeatable responses were experimentally observed that the sensitivity to ammonia gas of the as-prepared helical shaped core-shell hybrid displays an enhancement of more than two times compared to those of only polyaniline or helical carbon nanotubes sensors because of the peculiar structures with high surface area. This kind of hybrid comprising nanorod arrays of conductive polymers covering carbon nanotubes and related structures provide a potential in sensorsmore » of trace gas detection for environmental monitoring and safety forecasting.« less

Efficient electrocatalytic conversion of CO.sub.2 to CO using ligand-protected Au.sub.25 clusters

DOEpatents

Kauffman, Douglas; Matranga, Christopher; Qian, Huifeng; Jin, Rongchao; Alfonso, Dominic R.

2015-09-22

An apparatus and method for CO.sub.2 reduction using an Au.sub.25 electrode. The Au.sub.25 electrode is comprised of ligand-protected Au.sub.25 having a structure comprising an icosahedral core of 13 atoms surrounded by a shell of six semi-ring structures bonded to the core of 13 atoms, where each semi-ring structure is typically --SR--Au--SR--Au--SR or --SeR--Au--SeR--Au--SeR. The 12 semi-ring gold atoms within the six semi-ring structures are stellated on 12 of the 20 faces of the icosahedron of the Au.sub.13 core, and organic ligand --SR or --SeR groups are bonded to the Au.sub.13 core with sulfur or selenium atoms. The Au.sub.25 electrode and a counter-electrode are in contact with an electrolyte comprising CO.sub.2 and H+, and a potential of at least -0.1 volts is applied from the Au.sub.25 electrode to the counter-electrode.

Structural and functional organization of the ESCRT-I trafficking complex

PubMed Central

Kostelansky, Michael S.; Sun, Ji; Lee, Sangho; Kim, Jaewon; Ghirlando, Rodolfo; Hierro, Aitor; Emr, Scott D.; Hurley, James H.

2006-01-01

Summary The Endosomal Sorting Complex Required for Transport (ESCRT) complexes are central to receptor downregulation, lysosome biogenesis, and budding of HIV. The yeast ESCRT-I complex contains the Vps23, Vps28, and Vps37 proteins and its assembly is directed by the C-terminal steadiness box of Vps23, the N-terminal half of Vps28, and the C-terminal half of Vps37. The crystal structures of a Vps23:Vps28 core subcomplex and the Vps23:Vps28:Vps37 core were solved at 2.1 and 2.8 Å resolution. Each subunit contains a structurally similar pair of helices that form the core. The N-terminal domain of Vps28 has a hydrophobic binding site on its surface that is conformationally dynamic. The C-terminal domain of Vps28 binds the ESCRT-II complex. The structure shows how ESCRT-I is assembled by a compact core from which the Vps23 UEVdomain, the Vps28 C-domain, and other domains project to bind their partners. PMID:16615894

Preparation of core-shell structured CaCO3 microspheres as rapid and recyclable adsorbent for anionic dyes

NASA Astrophysics Data System (ADS)

Zhao, Mengen; Chen, Zhenhua; Lv, Xinyan; Zhou, Kang; Zhang, Jie; Tian, Xiaohan; Ren, Xiuli; Mei, Xifan

2017-09-01

Core-shell structured CaCO3 microspheres (MSs) were prepared by a facile, one-pot method at room temperature. The adsorbent dosage and adsorption time of the obtained CaCO3 MSs were investigated. The results suggest that these CaCO3 MSs can rapidly and efficiently remove 99-100% of anionic dyes within the first 2 min. The obtained CaCO3 MSs have a high Brunauer-Emmett-Teller surface area (211.77 m2 g-1). In addition, the maximum adsorption capacity of the obtained CaCO3 MSs towards Congo red was 99.6 mg g-1. We also found that the core-shell structured CaCO3 MSs have a high recycling capability for removing dyes from water. Our results demonstrate that the prepared core-shell structured CaCO3 MSs can be used as an ideal, rapid, efficient and recyclable adsorbent to remove dyes from aqueous solution.

Structural response of 1/20-scale models of the Clinch River Breeder Reactor to a simulated hypothetical core-disruptive accident

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

Romander, C M; Cagliostro, D J

Five experiments were performed to help evaluate the structural integrity of the reactor vessel and head design and to verify code predictions. In the first experiment (SM 1), a detailed model of the head was loaded statically to determine its stiffness. In the remaining four experiments (SM 2 to SM 5), models of the vessel and head were loaded dynamically under a simulated 661 MW-s hypothetical core disruptive accident (HCDA). Models SM 2 to SM 4, each of increasing complexity, systematically showed the effects of upper internals structures, a thermal liner, core support platform, and torospherical bottom on vessel response.more » Model SM 5, identical to SM 4 but more heavily instrumented, demonstrated experimental reproducibility and provided more comprehensive data. The models consisted of a Ni 200 vessel and core barrel, a head with shielding and simulated component masses, and an upper internals structure (UIS).« less

Increasing Sequence Diversity with Flexible Backbone Protein Design: The Complete Redesign of a Protein Hydrophobic Core

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

Murphy, Grant S.; Mills, Jeffrey L.; Miley, Michael J.

2015-10-15

Protein design tests our understanding of protein stability and structure. Successful design methods should allow the exploration of sequence space not found in nature. However, when redesigning naturally occurring protein structures, most fixed backbone design algorithms return amino acid sequences that share strong sequence identity with wild-type sequences, especially in the protein core. This behavior places a restriction on functional space that can be explored and is not consistent with observations from nature, where sequences of low identity have similar structures. Here, we allow backbone flexibility during design to mutate every position in the core (38 residues) of a four-helixmore » bundle protein. Only small perturbations to the backbone, 12 {angstrom}, were needed to entirely mutate the core. The redesigned protein, DRNN, is exceptionally stable (melting point >140C). An NMR and X-ray crystal structure show that the side chains and backbone were accurately modeled (all-atom RMSD = 1.3 {angstrom}).« less

The Peierls stress of the moving [Formula: see text] screw dislocation in Ta.

PubMed

Liu, Ruiping; Wang, Shaofeng; Wu, Xiaozhi

2009-08-26

The Peierls stress of the moving [Formula: see text] screw dislocation with a planar and non-dissociated core structure in Ta has been calculated. The elastic strain energy which is associated with the discrete effect of the lattice and ignored in classical Peierls-Nabarro (P-N) theory has been taken into account in calculating the Peierls stress, and it can make the Peierls stress become smaller. The Peierls stress we obtain is very close to the experimental data. As shown in the numerical calculations and atomistic simulations, the core structure of the screw dislocation undergoes significant changes under the explicit stress before the screw dislocation moves. Moreover, the mechanism of the screw dislocation is revealed by our results and the experimental data that the screw dislocation retracts its extension in three {110} planes and transforms its dissociated core structure into a planar configuration. Therefore, the core structure of the moving [Formula: see text] screw dislocation in Ta is proposed to be planar.

An origin of arc structures deeply embedded in dense molecular cloud cores

NASA Astrophysics Data System (ADS)

Matsumoto, Tomoaki; Onishi, Toshikazu; Tokuda, Kazuki; Inutsuka, Shu-ichiro

2015-04-01

We investigated the formation of arc-like structures in the infalling envelope around protostars, motivated by the recent Atacama Large Millimeter/Submillimeter Array (ALMA) observations of the high-density molecular cloud core, MC27/L1521F. We performed self-gravitational hydrodynamical numerical simulations with an adaptive mesh refinement code. A filamentary cloud with a 0.1 pc width fragments into cloud cores because of perturbations due to weak turbulence. The cloud core undergoes gravitational collapse to form multiple protostars, and gravitational torque from the orbiting protostars produces arc structures extending up to a 1000 au scale. As well as on a spatial extent, the velocity ranges of the arc structures, ˜0.5 km s-1, are in agreement with the ALMA observations. We also found that circumstellar discs are often misaligned in triple system. The misalignment is caused by the tidal interaction between the protostars when they undergo close encounters because of a highly eccentric orbit of the tight binary pair.

Electrochemical Synthesis of Core-Shell-Structured NbC-Fe Composite Powder for Enforcement in Low-Carbon Steel.

PubMed

Li, Hongmei; Song, Qiushi; Xu, Qian; Chen, Ying; Xu, Liang; Man, Tiannan

2017-11-01

An NbC-Fe composite powder was synthesized from an Nb₂O₅/Fe/C mixture by electrochemical reduction and subsequent carbonization in molten CaCl₂-NaCl. The composite has a core-shell structure, in which NbC acts as the cores distributing in the Fe matrix. A strong bonding between NbC and Fe is benefit from the core-shell structure. The sintering and electrochemical reduction processes were investigated to probe the mechanism for the reactions. The results show that NbC particles about several nanometers were embraced by the Fe shell to form a composite about 100 nm in size. This featured structure can feasibly improve the wettability and sinterability of NbC as well as the uniform distribution of the carbide in the cast steel. By adding the composite into steel in the casting process, the grain size of the casted steel was markedly deceased from 1 mm to 500 μm on average, favoring the hardening of the casted steel.

A novel complex networks clustering algorithm based on the core influence of nodes.

PubMed

Tong, Chao; Niu, Jianwei; Dai, Bin; Xie, Zhongyu

2014-01-01

In complex networks, cluster structure, identified by the heterogeneity of nodes, has become a common and important topological property. Network clustering methods are thus significant for the study of complex networks. Currently, many typical clustering algorithms have some weakness like inaccuracy and slow convergence. In this paper, we propose a clustering algorithm by calculating the core influence of nodes. The clustering process is a simulation of the process of cluster formation in sociology. The algorithm detects the nodes with core influence through their betweenness centrality, and builds the cluster's core structure by discriminant functions. Next, the algorithm gets the final cluster structure after clustering the rest of the nodes in the network by optimizing method. Experiments on different datasets show that the clustering accuracy of this algorithm is superior to the classical clustering algorithm (Fast-Newman algorithm). It clusters faster and plays a positive role in revealing the real cluster structure of complex networks precisely.

Antigenic potential of a highly conserved Neisseria meningitidis lipopolysaccharide inner core structure defined by chemical synthesis.

PubMed

Reinhardt, Anika; Yang, You; Claus, Heike; Pereira, Claney L; Cox, Andrew D; Vogel, Ulrich; Anish, Chakkumkal; Seeberger, Peter H

2015-01-22

Neisseria meningitidis is a leading cause of bacterial meningitis worldwide. We studied the potential of synthetic lipopolysaccharide (LPS) inner core structures as broadly protective antigens against N. meningitidis. Based on the specific reactivity of human serum antibodies to synthetic LPS cores, we selected a highly conserved LPS core tetrasaccharide as a promising antigen. This LPS inner core tetrasaccharide induced a robust IgG response in mice when formulated as an immunogenic glycoconjugate. Binding of raised mouse serum to a broad collection of N. meningitidis strains demonstrated the accessibility of the LPS core on viable bacteria. The distal trisaccharide was identified as the crucial epitope, whereas the proximal Kdo moiety was immunodominant and induced mainly nonprotective antibodies that are responsible for lack of functional protection in polyclonal serum. Our results identified key antigenic determinants of LPS core glycan and, hence, may aid the design of a broadly protective immunization against N. meningitidis. Copyright © 2015 Elsevier Ltd. All rights reserved.

Creation of Novel Cores for β-Secretase (BACE-1) Inhibitors: A Multiparameter Lead Generation Strategy

PubMed Central

2014-01-01

In order to find optimal core structures as starting points for lead optimization, a multiparameter lead generation workflow was designed with the goal of finding BACE-1 inhibitors as a treatment for Alzheimer’s disease. De novo design of core fragments was connected with three predictive in silico models addressing target affinity, permeability, and hERG activity, in order to guide synthesis. Taking advantage of an additive SAR, the prioritized cores were decorated with a few, well-characterized substituents from known BACE-1 inhibitors in order to allow for core-to-core comparisons. Prediction methods and analyses of how physicochemical properties of the core structures correlate to in vitro data are described. The syntheses and in vitro data of the test compounds are reported in a separate paper by Ginman et al. [J. Med. Chem.2013, 56, 4181–4205]. The affinity predictions are described in detail by Roos et al. [J. Chem. Inf.2014, DOI: 10.1021/ci400374z]. PMID:24900855

Creation of Novel Cores for β-Secretase (BACE-1) Inhibitors: A Multiparameter Lead Generation Strategy.

PubMed

Viklund, Jenny; Kolmodin, Karin; Nordvall, Gunnar; Swahn, Britt-Marie; Svensson, Mats; Gravenfors, Ylva; Rahm, Fredrik

2014-04-10

In order to find optimal core structures as starting points for lead optimization, a multiparameter lead generation workflow was designed with the goal of finding BACE-1 inhibitors as a treatment for Alzheimer's disease. De novo design of core fragments was connected with three predictive in silico models addressing target affinity, permeability, and hERG activity, in order to guide synthesis. Taking advantage of an additive SAR, the prioritized cores were decorated with a few, well-characterized substituents from known BACE-1 inhibitors in order to allow for core-to-core comparisons. Prediction methods and analyses of how physicochemical properties of the core structures correlate to in vitro data are described. The syntheses and in vitro data of the test compounds are reported in a separate paper by Ginman et al. [J. Med. Chem. 2013, 56, 4181-4205]. The affinity predictions are described in detail by Roos et al. [J. Chem. Inf. 2014, DOI: 10.1021/ci400374z].

Carbon-silicon core-shell nanowires as high capacity electrode for lithium ion batteries.

PubMed

Cui, Li-Feng; Yang, Yuan; Hsu, Ching-Mei; Cui, Yi

2009-09-01

We introduce a novel design of carbon-silicon core-shell nanowires for high power and long life lithium battery electrodes. Amorphous silicon was coated onto carbon nanofibers to form a core-shell structure and the resulted core-shell nanowires showed great performance as anode material. Since carbon has a much smaller capacity compared to silicon, the carbon core experiences less structural stress or damage during lithium cycling and can function as a mechanical support and an efficient electron conducting pathway. These nanowires have a high charge storage capacity of approximately 2000 mAh/g and good cycling life. They also have a high Coulmbic efficiency of 90% for the first cycle and 98-99.6% for the following cycles. A full cell composed of LiCoO(2) cathode and carbon-silicon core-shell nanowire anode is also demonstrated. Significantly, using these core-shell nanowires we have obtained high mass loading and an area capacity of approximately 4 mAh/cm(2), which is comparable to commercial battery values.

Earth's Outer Core Properties Estimated Using Bayesian Inversion of Normal Mode Eigenfrequencies

NASA Astrophysics Data System (ADS)

Irving, J. C. E.; Cottaar, S.; Lekic, V.

2016-12-01

The outer core is arguably Earth's most dynamic region, and consists of an iron-nickel liquid with an unknown combination of lighter alloying elements. Frequencies of Earth's normal modes provide the strongest constraints on the radial profiles of compressional wavespeed, VΦ, and density, ρ, in the outer core. Recent great earthquakes have yielded new normal mode measurements; however, mineral physics experiments and calculations are often compared to the Preliminary reference Earth model (PREM), which is 35 years old and does not provide uncertainties. Here we investigate the thermo-elastic properties of the outer core using Earth's free oscillations and a Bayesian framework. To estimate radial structure of the outer core and its uncertainties, we choose to exploit recent datasets of normal mode centre frequencies. Under the self-coupling approximation, centre frequencies are unaffected by lateral heterogeneities in the Earth, for example in the mantle. Normal modes are sensitive to both VΦ and ρ in the outer core, with each mode's specific sensitivity depending on its eigenfunctions. We include a priori bounds on outer core models that ensure compatibility with measurements of mass and moment of inertia. We use Bayesian Monte Carlo Markov Chain techniques to explore different choices in parameterizing the outer core, each of which represents different a priori constraints. We test how results vary (1) assuming a smooth polynomial parametrization, (2) allowing for structure close to the outer core's boundaries, (3) assuming an Equation-of-State and adiabaticity and inverting directly for thermo-elastic parameters. In the second approach we recognize that the outer core may have distinct regions close to the core-mantle and inner core boundaries and investigate models which parameterize the well mixed outer core separately from these two layers. In the last approach we seek to map the uncertainties directly into thermo-elastic parameters including the bulk modulus, its pressure derivative, and molar mass and volume, with particular attention paid to the (inherent) trade-offs between the different coefficients. We discuss our results in terms of added uncertainty to the light element composition of the outer core and the potential existence of anomalous structure near the outer core's boundaries.

Seismic velocity and attenuation structures in the Earth's inner core

NASA Astrophysics Data System (ADS)

Yu, Wen-Che

2007-12-01

I study seismic velocity and attenuation structures in the top 400 km of the Earth's inner core along equatorial paths, velocity-attenuation relationship, and seismic anisotropy in the top of the inner core beneath Africa. Seismic observations exhibit "east-west" hemispheric differences in seismic velocity, attenuation, and anisotropy. Joint modeling of the PKiKP-PKIKP and PKPbc-PKIKP phases is used to constrain seismic velocity and attenuation structures in the top 400 km of the inner core for the eastern and western hemispheres. The velocity and attenuation models for the western hemisphere are simple, having a constant velocity gradient and a Q value of 600 in the top 400 km of the inner core. The velocity and attenuation models for the eastern hemisphere appear complex. The velocity model for the eastern hemisphere has a small velocity gradient in the top 235 km, a steeper velocity gradient at the depth range of 235 - 375 km, and a gradient similar to PREM in the deeper portion of the inner core. The attenuation model for the eastern hemisphere has a Q value of 300 in the top 300 km and a Q value of 600 in the deeper portion of the inner core. The study of velocity-attenuation relationship reveals that inner core is anisotropic in both velocity and attenuation, and the direction of high attenuation corresponding to that of high velocity. I hypothesize that the hexagonal close packed (hcp) iron crystal is anisotropic in attenuation, with the axis of high attenuation corresponding to that of high velocity. Anisotropy in the top of the inner core beneath Africa is complex. Beneath eastern Africa, the thickness of the isotropic upper inner core is about 0 km. Beneath central and western Africa, the thickness of the isotropic upper inner core increases from 20 to 50 km. The velocity increase across the isotropic upper inner core and anisotropic lower inner core boundary is sharp, laterally varying from 1.6% - 2.2%. The attenuation model has a Q value of 600 for the isotropic upper inner core and 150 to 400 for the anisotropic lower inner core.

Magnetism and Mössbauer study of formation of multi-core γ -Fe2O3 nanoparticles

NASA Astrophysics Data System (ADS)

Kamali, Saeed; Bringas, Eugenio; Hah, Hien-Yoong; Bates, Brian; Johnson, Jacqueline A.; Johnson, Charles E.; Stroeve, Pieter

2018-04-01

A systematic investigation of magnetic nanoparticles and the formation of a core-shell structure, consisting of multiple maghemite (γ -Fe2O3) nanoparticles as the core and silica as the shell, has been performed using various techniques. High-resolution transmission electron microscopy clearly shows isolated maghemite nanoparticles with an average diameter of 13 nm and the formation of a core-shell structure. Low temperature Mössbauer spectroscopy reveals the presence of pure maghemite nanoparticles with all vacancies at the B-sites. Isothermal magnetization and zero-field-cooled and field-cooled measurements are used for investigating the magnetic properties of the nanoparticles. The magnetization results are in good accordance with the contents of the magnetic core and the non-magnetic shell. The multiple-core γ -Fe2O3 nanoparticles show similar behavior to isolated particles of the same size.

Nanostructured core-shell electrode materials for electrochemical capacitors

NASA Astrophysics Data System (ADS)

Jiang, Long-bo; Yuan, Xing-zhong; Liang, Jie; Zhang, Jin; Wang, Hou; Zeng, Guang-ming

2016-11-01

Core-shell nanostructure represents a unique system for applications in electrochemical energy storage devices. Owing to the unique characteristics featuring high power delivery and long-term cycling stability, electrochemical capacitors (ECs) have emerged as one of the most attractive electrochemical storage systems since they can complement or even replace batteries in the energy storage field, especially when high power delivery or uptake is needed. This review aims to summarize recent progress on core-shell nanostructures for advanced supercapacitor applications in view of their hierarchical architecture which not only create the desired hierarchical porous channels, but also possess higher electrical conductivity and better structural mechanical stability. The core-shell nanostructures include carbon/carbon, carbon/metal oxide, carbon/conducting polymer, metal oxide/metal oxide, metal oxide/conducting polymer, conducting polymer/conducting polymer, and even more complex ternary core-shell nanoparticles. The preparation strategies, electrochemical performances, and structural stabilities of core-shell materials for ECs are summarized. The relationship between core-shell nanostructure and electrochemical performance is discussed in detail. In addition, the challenges and new trends in core-shell nanomaterials development have also been proposed.

Core-shell Au-Pd nanoparticles as cathode catalysts for microbial fuel cell applications

PubMed Central

Yang, Gaixiu; Chen, Dong; Lv, Pengmei; Kong, Xiaoying; Sun, Yongming; Wang, Zhongming; Yuan, Zhenhong; Liu, Hui; Yang, Jun

2016-01-01

Bimetallic nanoparticles with core-shell structures usually display enhanced catalytic properties due to the lattice strain created between the core and shell regions. In this study, we demonstrate the application of bimetallic Au-Pd nanoparticles with an Au core and a thin Pd shell as cathode catalysts in microbial fuel cells, which represent a promising technology for wastewater treatment, while directly generating electrical energy. In specific, in comparison with the hollow structured Pt nanoparticles, a benchmark for the electrocatalysis, the bimetallic core-shell Au-Pd nanoparticles are found to have superior activity and stability for oxygen reduction reaction in a neutral condition due to the strong electronic interaction and lattice strain effect between the Au core and the Pd shell domains. The maximum power density generated in a membraneless single-chamber microbial fuel cell running on wastewater with core-shell Au-Pd as cathode catalysts is ca. 16.0 W m−3 and remains stable over 150 days, clearly illustrating the potential of core-shell nanostructures in the applications of microbial fuel cells. PMID:27734945

Structure of vortices in superfluid 3He A-like phase in uniaxially stretched aerogel

NASA Astrophysics Data System (ADS)

Aoyama, Kazushi; Ikeda, Ryusuke

2009-02-01

Possible vortex-core transitions in A-like phase of superfluid 3He in uniaxially stretched aerogel are investigated. Since the global anisotropy in this system induces the polar pairing state in a narrow range close to the superfluid transition in addition to the A-like and B-like phases, the polar state may occur in the core of a vortex in the A-like phase identified with the ABM pairing state, like in the case of the bulk B phase where a core including the ABM state is realized at higher pressures. We examine the core structure of a single vortex under the boundary condition compatible with the Mermin-Ho vortex in the presence of the dipole interaction. Following Salomaa and Volovik's approach, we numerically solve the Ginzburg-Landau equation for an axially symmetric vortex and, by examining its stability against nonaxisymmetric perturbations, discuss possible vortex core states. It is found that a first order transition on core states may occur on warming from an axisymmetric vortex with a nonunitary core to a singular vortex with the polar core.

Preparation and characterization of SiO2-coated submicron-sized L10 Fe-Pt particles

NASA Astrophysics Data System (ADS)

Hayashi, Yoshiaki; Ogawa, Tomoyuki; Ishiyama, Kazushi

2018-05-01

The development of magnets with higher performance is attracting increasing interest. The optimization of their microstructure is essential to enhance their properties, and a microstructure comprising magnetically isolated hard magnetic grains of a single-domain size has been proposed as an ideal structure for enhancing the coercivity of magnets. To obtain magnets with an ideal structure, we consider the fabrication of magnets by an approach based on core/shell nanoparticles with a hard magnetic core and a non-magnetic shell. In this study, to obtain particles for our proposed approach, we attempted to fabricate L10 Fe-Pt/SiO2-core/shell particles with submicron-sized cores less than the critical single-domain size. The fabrication of such core/shell particles was confirmed from morphology observations and XRD analysis of the particles. Although the formation of more desirable core/shell particles with submicron-sized single-crystal cores in the single-domain size range was not achieved, the fabricated core/shell particles showed a high coercivity of 25 kOe.

Characterizing Facesheet/Core Disbonding in Honeycomb Core Sandwich Structure

NASA Technical Reports Server (NTRS)

Rinker, Martin; Ratcliffe, James G.; Adams, Daniel O.; Krueger, Ronald

2013-01-01

Results are presented from an experimental investigation into facesheet core disbonding in carbon fiber reinforced plastic/Nomex honeycomb sandwich structures using a Single Cantilever Beam test. Specimens with three, six and twelve-ply facesheets were tested. Specimens with different honeycomb cores consisting of four different cell sizes were also tested, in addition to specimens with three different widths. Three different data reduction methods were employed for computing apparent fracture toughness values from the test data, namely an area method, a compliance calibration technique and a modified beam theory method. The compliance calibration and modified beam theory approaches yielded comparable apparent fracture toughness values, which were generally lower than those computed using the area method. Disbonding in the three-ply facesheet specimens took place at the facesheet/core interface and yielded the lowest apparent fracture toughness values. Disbonding in the six and twelve-ply facesheet specimens took place within the core, near to the facesheet/core interface. Specimen width was not found to have a significant effect on apparent fracture toughness. The amount of scatter in the apparent fracture toughness data was found to increase with honeycomb core cell size.

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

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

COOLED NEUTRONIC REACTOR

DOEpatents

Binner, C.R.; Wilkie, C.B.

1958-03-18

This patent relates to a design for a reactor of the type in which a fluid coolant is flowed through the active portion of the reactor. This design provides for the cooling of the shielding material as well as the reactor core by the same fluid coolant. The core structure is a solid moderator having coolant channels in which are disposed the fuel elements in rod or slug form. The coolant fluid enters the chamber in the shield, in which the core is located, passes over the inner surface of said chamber, enters the core structure at the center, passes through the coolant channels over the fuel elements and out through exhaust ducts.

Systematic technology evaluation program for SiC/SiC composite-based accident-tolerant LWR fuel cladding and core structures: Revision 2015

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

Katoh, Yutai; Terrani, Kurt A.

2015-08-01

Fuels and core structures in current light water reactors (LWR’s) are vulnerable to catastrophic failure in severe accidents as unfortunately evidenced by the March 2011 Fukushima Dai-ichi Nuclear Power Plant Accident. This vulnerability is attributed primarily to the rapid oxidation kinetics of zirconium alloys in a water vapor environment at very high temperatures. Zr alloys are the primary material in LWR cores except for the fuel itself. Therefore, alternative materials with reduced oxidation kinetics as compared to zirconium alloys are sought to enable enhanced accident-tolerant fuels and cores.

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

Faham, S.; Watanabe, A.; Besserer, G.M.

Membrane transporters that use energy stored in sodium gradients to drive nutrients into cells constitute a major class of proteins. We report the crystal structure of a member of the solute sodium symporters (SSS), the Vibrio parahaemolyticus sodium/galactose symporter (vSGLT). The -3.0 angstrom structure contains 14 transmembrane (TM) helices in an inward-facing conformation with a core structure of inverted repeats of 5 TM helices (TM2 to TM6 and TM7 to TM11). Galactose is bound in the center of the core, occluded from the outside solutions by hydrophobic residues. Surprisingly, the architecture of the core is similar to that of themore » leucine transporter (LeuT) from a different gene family. Modeling the outward-facing conformation based on the LeuT structure, in conjunction with biophysical data, provides insight into structural rearrangements for active transport.« less

Highly selective and sensitive methanol gas sensor based on molecular imprinted silver-doped LaFeO3 core-shell and cage structures

NASA Astrophysics Data System (ADS)

Rong, Qian; Zhang, Yumin; Lv, Tianping; Shen, Kaiyuan; Zi, Baoye; Zhu, Zhongqi; Zhang, Jin; Liu, Qingju

2018-04-01

Silver-doped LaFeO3 molecularly imprinted polymers (SLMIPs) were synthesized by a sol-gel method combined with molecularly imprinted technology as precursors. The precursors were then used to prepare SLMIPs cage (SLM-cage) and SLMIPs core-shell (SLM-core-shell) structures by using a carbon sphere as the template and hydrothermal synthesis, respectively. The structures, morphologies, and surface areas of these materials were determined, as well as their gas-sensing properties and related mechanisms. The SLM-cage and SLM-core-shell samples exhibited good responses to methanol gas, with excellent selectivity. The response and optimum working temperature were 16.98 °C and 215 °C, 33.7 °C and 195 °C, respectively, with corresponding response and recovery times of 45 and 50 s (SLM-cage) and 42 and 57 s (SLM-core-shell) for 5 ppm methanol gas. Notably, the SLM-cage and SLM-core-shell samples exhibited lower responses (≤5 and ≤7, respectively) to other gases, including ethanol, ammonia, benzene, acetone, and toluene. Thus, these materials show potential as practical methanol detectors.

Three Types of Earth's Inner Core Boundary

NASA Astrophysics Data System (ADS)

Tian, D.; Wen, L.

2017-12-01

The Earth's inner core boundary (ICB) is the site where the liquid outer core solidifies and the solid inner core grows. Thus, the fine-scale structure of the ICB is important for our understanding of the thermo-compositional state of the Earth's core. In this study, we collect a large set of seismic records with high-quality pre-critical PKiKP and PcP phase pairs, recorded by two dense seismic arrays, Hi-net in Japan and USArray in US. This dataset samples the ICB regions beneath East Asia, Mexico and the Bering Sea. We use differential travel times, amplitude ratios and waveform differences between PKiKP and PcP phases to constrain fine-scale structure of the ICB. The sampled ICB can be grouped into three types based on their seismic characteristics: (1) a simple ICB with a flat and sharp boundary, (2) a bumpy ICB with topographic height changes of 10 km, and (3) a localized mushy ICB with laterally varying thicknesses of 4-8 km. The laterally varying fine-scale structure of the ICB indicates existence of complex small-scale forces at the surface and a laterally varying solidification process of the inner core due to lateral variation of thermo-compositional condition near the ICB.

The multifunctional wound dressing with core-shell structured fibers prepared by coaxial electrospinning

NASA Astrophysics Data System (ADS)

Wei, Qilin; Xu, Feiyang; Xu, Xingjian; Geng, Xue; Ye, Lin; Zhang, Aiying; Feng, Zengguo

2016-06-01

The non-woven wound dressing with core-shell structured fibers was prepared by coaxial electrospinning. The polycaprolactone (PCL) was electrospun as the fiber's core to provide mechanical strength whereas collagen was fabricated into the shell in order to utilize its good biocompatibility. Simultaneously, the silver nanoparticles (Ag-NPs) as anti-bacterial agent were loaded in the shell whereas the vitamin A palmitate (VA) as healing-promoting drug was encapsulated in the core. Resulting from the fiber's core-shell structure, the VA released from the core and Ag-NPs present in the shell can endow the dressing both heal-promoting and anti-bacteria ability simultaneously, which can greatly enhance the dressing's clinical therapeutic effect. The dressing can maintain high swelling ratio of 190% for 3 d indicating its potential application as wet dressing. Furthermore, the dressing's anti-bacteria ability against Staphylococcus aureus was proved by in vitro anti-bacteria test. The in vitro drug release test showed the sustainable release of VA within 72 h, while the cell attachment showed L929 cells can well attach on the dressing indicating its good biocompatibility. In conclusion, the fabricated nanofibrous dressing possesses multiple functions to benefit wound healing and shows promising potential for clinical application.

Highly selective and sensitive methanol gas sensor based on molecular imprinted silver-doped LaFeO3 core-shell and cage structures.

PubMed

Rong, Qian; Zhang, Yumin; Lv, Tianping; Shen, Kaiyuan; Zi, Baoye; Zhu, Zhongqi; Zhang, Jin; Liu, Qingju

2018-04-06

Silver-doped LaFeO 3 molecularly imprinted polymers (SLMIPs) were synthesized by a sol-gel method combined with molecularly imprinted technology as precursors. The precursors were then used to prepare SLMIPs cage (SLM-cage) and SLMIPs core-shell (SLM-core-shell) structures by using a carbon sphere as the template and hydrothermal synthesis, respectively. The structures, morphologies, and surface areas of these materials were determined, as well as their gas-sensing properties and related mechanisms. The SLM-cage and SLM-core-shell samples exhibited good responses to methanol gas, with excellent selectivity. The response and optimum working temperature were 16.98 °C and 215 °C, 33.7 °C and 195 °C, respectively, with corresponding response and recovery times of 45 and 50 s (SLM-cage) and 42 and 57 s (SLM-core-shell) for 5 ppm methanol gas. Notably, the SLM-cage and SLM-core-shell samples exhibited lower responses (≤5 and ≤7, respectively) to other gases, including ethanol, ammonia, benzene, acetone, and toluene. Thus, these materials show potential as practical methanol detectors.

Direct Observation of the Growth of Au-Pd Core-Shell Nanoparticles Using in situ Low-Dose Liquid Cell STEM imaging

DOE PAGES

Bhattarai, Nabraj; Prozorov, Tanya

2016-07-25

Bimetallic core-shell nanoparticles are widely used as catalysts in several industrial reactions, with core-shell structures permitting facile surface modification and allowing increased stability and durability, and cost-effectiveness of the catalysts. We report, for the first time, on observing the early stages of the formation of Au-Pd core-shell bimetallic nanoparticles via the seed-mediated growth in the presence of reducing agent, while employing the low-dose scanning transmission electron microscopy imaging with the fluid cell in situ. Use of the continuous flow in situ fluid cell platform allows for delivery of reagent solutions and generation of near-native reaction environment in the reaction chamber,more » and permits direct visualization of the early stages of formation of Au-Pd core-shell structures at low dose rate (0.1 e -/(Å 2s)) in the presence of ascorbic acid. No core-shell structures were detected in the absence of reducing agent at the electron dose of 32.6 e -/Å 2. While the core-shell structures formed in situ under the low-dose imaging closely resemble those obtained in solution synthesis, the reaction kinetics in the fluid cell is affected by the radiolysis of liquid reagents induced by electron beam, altering the rate-determining reaction steps. The enhanced reduction of Pd ions leads to initial rapid growth of the nascent Pd shell along the <111> direction at the Au interface, followed by a slower rearrangement of the outer Pd layer. The latter becomes the rate-determining step in the in situ reaction and appears to follow the oriented attachment-like movement to yield a remodeled, compact and stable Au-Pd core-shell nanostructure. Our findings highlight the differences between the two reaction pathways and aid in understanding the mechanism of formation of the core-shell nanostructure in situ.« less

Role of Absorbing Nanocrystal Cores in Soft Photonic Crystals: A Spectroscopy and SANS Study.

PubMed

Rauh, Astrid; Carl, Nico; Schweins, Ralf; Karg, Matthias

2018-01-23

Periodic superstructures of plasmonic nanoparticles have attracted significant interest because they can support coupled plasmonic modes, making them interesting for plasmonic lasing, metamaterials, and as light-management structures in thin-film optoelectronic devices. We have recently shown that noble metal hydrogel core-shell colloids allow for the fabrication of highly ordered 2-dimensional plasmonic lattices that show surface lattice resonances as the result of plasmonic/diffractive coupling (Volk, K.; Fitzgerald, J. P. S.; Ruckdeschel, P.; Retsch, M.; König, T. A. F.; Karg, M. Reversible Tuning of Visible Wavelength Surface Lattice Resonances in Self-Assembled Hybrid Monolayers. Adv. Optical Mater. 2017, 5, 1600971, DOI: 10.1002/adom.201600971). In the present work, we study the photonic properties and structure of 3-dimensional crystalline superstructures of gold hydrogel core-shell colloids and their pitted counterparts without gold cores. We use far-field extinction spectroscopy to investigate the optical response of these superstructures. Narrow Bragg peaks are measured, independently of the presence or absence of the gold cores. All crystals show a significant reduction in low-wavelength scattering. This leads to a significant enhancement of the plasmonic properties of the samples prepared from gold-nanoparticle-containing core-shell colloids. Plasmonic/diffractive coupling is not evident, which we mostly attribute to the relatively small size of the gold cores limiting the effective coupling strength. Small-angle neutron scattering is applied to study the crystal structure. Bragg peaks of several orders clearly assignable to an fcc arrangement of the particles are observed for all crystalline samples in a broad range of volume fractions. Our results indicate that the nanocrystal cores do not influence the overall crystallization behavior or the crystal structure. These are important prerequisites for future studies on photonic materials built from core-shell particles, in particular, the development of new photonic materials from plasmonic nanocrystals.

Synthesis and properties MFe2O4 (M = Fe, Co) nanoparticles and core-shell structures

NASA Astrophysics Data System (ADS)

Yelenich, O. V.; Solopan, S. O.; Greneche, J. M.; Belous, A. G.

2015-08-01

Individual Fe3-xO4 and CoFe2O4 nanoparticles, as well as Fe3-xO4/CoFe2O4 core/shell structures were synthesized by the method of co-precipitation from diethylene glycol solutions. Core/shell structure were synthesized with CoFe2O4-shell thickness of 1.0, 2.5 and 3.5 nm. X-ray diffraction patterns of individual nanoparticles and core/shell are similar and indicate that all synthesized samples have a cubic spinel structure. Compares Mössbauer studies of CoFe2O4, Fe3-xO4 nanoparticles indicate superparamagnetic properties at 300 K. It was shown that individual magnetite nanoparticles are transformed into maghemite through oxidation during the synthesis procedure, wherein the smallest nanoparticles are completely oxidized while a magnetite core does occur in the case of the largest nanoparticles. The Mössbauer spectra of core/shell nanoparticles with increasing CoFe2O4-shell thickness show a gradual decrease in the relative intensity of the quadrupole doublet and significant decrease of the mean isomer shift value at both RT and 77 K indicating a decrease of the superparamagnetic relaxation phenomena. Specific loss power for the prepared ferrofluids was experimentally calculated and it was determined that under influence of ac-magnetic field magnetic fluid based on individual CoFe2O4 and Fe3-xO4 particles are characterized by very low heating temperature, when magnetic fluids based on core/shell nanoparticles demonstrate higher heating effect.

Ligand structure and mechanical properties of single-nanoparticle thick membranes

DOE PAGES

Salerno, Kenneth Michael; Bolintineanu, Dan S.; Lane, J. Matthew D.; ...

2015-06-16

We believe that the high mechanical stiffness of single-nanoparticle-thick membranes is the result of the local structure of ligand coatings that mediate interactions between nanoparticles. These ligand structures are not directly observable experimentally. We use molecular dynamics simulations to observe variations in ligand structure and simultaneously measure variations in membrane mechanical properties. We have shown previously that ligand end group has a large impact on ligand structure and membrane mechanical properties. Here we introduce and apply quantitative molecular structure measures to these membranes and extend analysis to multiple nanoparticle core sizes and ligand lengths. Simulations of nanoparticle membranes with amore » nanoparticle core diameter of 4 or 6 nm, a ligand length of 11 or 17 methylenes, and either carboxyl (COOH) or methyl (CH 3) ligand end groups are presented. In carboxyl-terminated ligand systems, structure and interactions are dominated by an end-to-end orientation of ligands. In methyl-terminated ligand systems large ordered ligand structures form, but nanoparticle interactions are dominated by disordered, partially interdigitated ligands. Core size and ligand length also affect both ligand arrangement within the membrane and the membrane's macroscopic mechanical response, but are secondary to the role of the ligand end group. Additionally, the particular end group (COOH or CH 3) alters the nature of how ligand length, in turn, affects the membrane properties. The effect of core size does not depend on the ligand end group, with larger cores always leading to stiffer membranes. Asymmetry in the stress and ligand density is observed in membranes during preparation at a water-vapor interface, with the stress asymmetry persisting in all membranes after drying.« less

The development of optimal lightweight truss-core sandwich panels

NASA Astrophysics Data System (ADS)

Langhorst, Benjamin Robert

Sandwich structures effectively provide lightweight stiffness and strength by sandwiching a low-density core between stiff face sheets. The performance of lightweight truss-core sandwich panels is enhanced through the design of novel truss arrangements and the development of methods by which the panels may be optimized. An introduction to sandwich panels is presented along with an overview of previous research of truss-core sandwich panels. Three alternative truss arrangements are developed and their corresponding advantages, disadvantages, and optimization routines are discussed. Finally, performance is investigated by theoretical and numerical methods, and it is shown that the relative structural efficiency of alternative truss cores varies with panel weight and load-carrying capacity. Discrete truss core sandwich panels can be designed to serve bending applications more efficiently than traditional pyramidal truss arrangements at low panel weights and load capacities. Additionally, discrete-truss cores permit the design of heterogeneous cores, which feature unit cells that vary in geometry throughout the panel according to the internal loads present at each unit cell's location. A discrete-truss core panel may be selectively strengthened to more efficiently support bending loads. Future research is proposed and additional areas for lightweight sandwich panel development are explained.

Stability of ecological industry chain: an entropy model approach.

PubMed

Wang, Qingsong; Qiu, Shishou; Yuan, Xueliang; Zuo, Jian; Cao, Dayong; Hong, Jinglan; Zhang, Jian; Dong, Yong; Zheng, Ying

2016-07-01

A novel methodology is proposed in this study to examine the stability of ecological industry chain network based on entropy theory. This methodology is developed according to the associated dissipative structure characteristics, i.e., complexity, openness, and nonlinear. As defined in the methodology, network organization is the object while the main focus is the identification of core enterprises and core industry chains. It is proposed that the chain network should be established around the core enterprise while supplementation to the core industry chain helps to improve system stability, which is verified quantitatively. Relational entropy model can be used to identify core enterprise and core eco-industry chain. It could determine the core of the network organization and core eco-industry chain through the link form and direction of node enterprises. Similarly, the conductive mechanism of different node enterprises can be examined quantitatively despite the absence of key data. Structural entropy model can be employed to solve the problem of order degree for network organization. Results showed that the stability of the entire system could be enhanced by the supplemented chain around the core enterprise in eco-industry chain network organization. As a result, the sustainability of the entire system could be further improved.

Characterization of core–shell MOF particles by depth profiling experiments using on-line single particle mass spectrometry

DOE PAGES

Cahill, J. F.; Fei, H.; Cohen, S. M.; ...

2015-01-05

Materials with core-shell structures have distinct properties that lend themselves to a variety of potential applications. Characterization of small particle core-shell materials presents a unique analytical challenge. Herein, single particles of solid-state materials with core-shell structures were measured using on-line aerosol time-of-flight mass spectrometry (ATOFMS). Laser 'depth profiling' experiments verified the core-shell nature of two known core-shell particle configurations (< 2 mu m diameter) that possessed inverted, complimentary core-shell compositions (ZrO2@SiO2 versus SiO2@ZrO2). The average peak area ratios of Si and Zr ions were calculated to definitively show their core-shell composition. These ratio curves acted as a calibrant for anmore » uncharacterized sample - a metal-organic framework (MOF) material surround by silica (UiO-66(Zr)@SiO2; UiO = University of Oslo). ATOFMS depth profiling was used to show that these particles did indeed exhibit a core-shell architecture. The results presented here show that ATOFMS can provide unique insights into core-shell solid-state materials with particle diameters between 0.2-3 mu m.« less

Predictable Particle Engineering: Programming the Energy Level, Carrier Generation, and Conductivity of Core-Shell Particles.

PubMed

Yuan, Conghui; Wu, Tong; Mao, Jie; Chen, Ting; Li, Yuntong; Li, Min; Xu, Yiting; Zeng, Birong; Luo, Weiang; Yu, Lingke; Zheng, Gaofeng; Dai, Lizong

2018-06-20

Core-shell structures are of particular interest in the development of advanced composite materials as they can efficiently bring different components together at nanoscale. The advantage of this structure greatly relies on the crucial design of both core and shell, thus achieving an intercomponent synergistic effect. In this report, we show that decorating semiconductor nanocrystals with a boronate polymer shell can easily achieve programmable core-shell interactions. Taking ZnO and anatase TiO 2 nanocrystals as inner core examples, the effective core-shell interactions can narrow the band gap of semiconductor nanocrystals, change the HOMO and LUMO levels of boronate polymer shell, and significantly improve the carrier density of core-shell particles. The hole mobility of core-shell particles can be improved by almost 9 orders of magnitude in comparison with net boronate polymer, while the conductivity of core-shell particles is at most 30-fold of nanocrystals. The particle engineering strategy is based on two driving forces: catechol-surface binding and B-N dative bonding and having a high ability to control and predict the shell thickness. Also, this approach is applicable to various inorganic nanoparticles with different components, sizes, and shapes.

Testing the dynamic coupling of the core-mantle and inner core boundaries

NASA Astrophysics Data System (ADS)

Driscoll, Peter E.

2015-07-01

The proposal that the seismically observed hemispherical asymmetry of Earth's inner core is controlled by the heat flux structure imposed on the outer core by the lower mantle is tested with numerical dynamo models driven by mixed thermochemical convection. We find that models driven by a single core-mantle boundary (CMB) spherical harmonic of degree and mode 2, the dominant mode in lower mantle seismic shear velocity tomography, produce a similar structure at the inner core boundary (ICB) shifted 30∘ westward. The sensitivity of the ICB to the CMB is further tested by increasing the CMB heterogeneity amplitude. In addition, two seismic tomographic models are tested: first with CMB resolution up to degree and order 4, and second with resolution up to degree and order 8. We find time-averaged ICB heat flux in these cases to be similar at large scale, with small-scale differences due to higher CMB harmonics (above degree 4). The tomographic models produce "Earth-like" magnetic fields, while similar models with twice the CMB heat flow amplitudes produce less Earth-like fields, implying that increasing CMB heterogeneity forces the model out of an Earth-like regime. The dynamic ICB heat fluxes are compared to the proposed translation mode of the inner core to test whether the CMB controls inner core growth and structure. This test indicates that, although CMB tomography is unlikely to be driving inner core translation, the ICB heat flux response is weak enough to not interfere with the most unstable translation mode, if it is occurring.

Using the CoRE Requirements Method with ADARTS. Version 01.00.05

DTIC Science & Technology

1994-03-01

requirements; combining ADARTS processes and objects derived from CoRE requirements into an ADARTS software architecture design ; and taking advantage of...CoRE’s precision in the ADARTS process structuring, class structuring, and software architecture design activities. Object-oriented requirements and

Development and modeling of multi-phase polymeric origami inspired architecture by using pre-molded geometrical features

NASA Astrophysics Data System (ADS)

Kshad, Mohamed Ali E.; Naguib, Hani E.

2017-02-01

Using Origami folded cores in sandwich structures for lightweight applications has attracted attention in different engineering applications, especially in the applications where the stiffness to weight ratio is a critical design parameter. Recently, common sandwich cores such as honey-comb and foamed cores have been replaced with origami core panels due to their way of force redistribution and energy absorption; these unique characteristics give origami cores high stiffness to weight ratio and high bending and twisting resistance. This paper presents the results of experimental investigations of the effect of base material on the mechanical properties and the impact resistance of Miura-Origami sandwich cores; then, the experimental results are compared with FEA simulation results. The materials used in the study for the origami cores were polymer blends composed of polylactic acid (PLA) and thermoplastic polyurethane (TPU). PLA/TPU blend compositions are (100/0, 80/20, 65/35, 50/50, 20/80, and 0/100) as a weight percentage. The geometrical parameters of the unit cell, base material thickness, and the panel thickness were considered to be constants in this study. The study shows the behavior of the origami cores under impact test and the energy absorbed by the origami folded cores. It was found that 20/80 PLA/TPU blend demonstrated the highest specific energy absorption efficiency both in quasi-static compression and impact tests. Fractured Origami structures were observed to fail at folded edges (creases lines), while the facets exhibit rigid body rotations. The FEM simulation showed a consistency in the impact behavior of the origami cores, and the directional deformational of origami core units which explain the ability of the structure to redistribute the applied force and absorb energy. In this work the origami folded core features were molded directly from the blended material.

Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue

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

Wallentine, Brad D.; Wang, Ying; Tretyachenko-Ladokhina, Vira

2013-10-01

X-ray crystallographic structures of four p53 core-domain variants were determined in order to gain insights into the mechanisms by which certain second-site suppressor mutations rescue the function of a significant number of cancer mutations of the tumor suppressor protein p53. To gain insights into the mechanisms by which certain second-site suppressor mutations rescue the function of a significant number of cancer mutations of the tumor suppressor protein p53, X-ray crystallographic structures of four p53 core-domain variants were determined. These include an oncogenic mutant, V157F, two single-site suppressor mutants, N235K and N239Y, and the rescued cancer mutant V157F/N235K/N239Y. The V157F mutationmore » substitutes a smaller hydrophobic valine with a larger hydrophobic phenylalanine within strand S4 of the hydrophobic core. The structure of this cancer mutant shows no gross structural changes in the overall fold of the p53 core domain, only minor rearrangements of side chains within the hydrophobic core of the protein. Based on biochemical analysis, these small local perturbations induce instability in the protein, increasing the free energy by 3.6 kcal mol{sup −1} (15.1 kJ mol{sup −1}). Further biochemical evidence shows that each suppressor mutation, N235K or N239Y, acts individually to restore thermodynamic stability to V157F and that both together are more effective than either alone. All rescued mutants were found to have wild-type DNA-binding activity when assessed at a permissive temperature, thus pointing to thermodynamic stability as the critical underlying variable. Interestingly, thermodynamic analysis shows that while N239Y demonstrates stabilization of the wild-type p53 core domain, N235K does not. These observations suggest distinct structural mechanisms of rescue. A new salt bridge between Lys235 and Glu198, found in both the N235K and rescued cancer mutant structures, suggests a rescue mechanism that relies on stabilizing the β-sandwich scaffold. On the other hand, the substitution N239Y creates an advantageous hydrophobic contact between the aromatic ring of this tyrosine and the adjacent Leu137. Surprisingly, the rescued cancer mutant shows much larger structural deviations than the cancer mutant alone when compared with wild-type p53. These suppressor mutations appear to rescue p53 function by creating novel intradomain interactions that stabilize the core domain, allowing compensation for the destabilizing V157F mutation.« less

Magnetization processes in core/shell exchange-spring structures.

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

Jiang, J. S.

2015-03-27

The magnetization reversal processes in cylindrical and spherical soft core/hard shell exchange-spring structures are investigated via the analytical nucleation theory, and are verified with numerical micromagnetic simulations. At small core sizes, the nucleation of magnetic reversal proceeds via the modified bulging mode, where the transverse component of the magnetization is only semi-coherent in direction and the nucleation field contains a contribution from self-demagnetization. For large core sizes, the modified curling mode, where the magnetization configuration is vortex-like, is favored at nucleation. The preference for the modified curling mode is beneficial in that the fluxclosure allows cylindrical and spherical core/shell exchange-springmore » elements to be densely packed into bulk permanent magnets without affecting the nucleation field, thereby offering the potential for high energy product.« less

Catalyst-free fabrication of novel ZnO/CuO core-Shell nanowires heterojunction: Controlled growth, structural and optoelectronic properties

NASA Astrophysics Data System (ADS)

Khan, Muhammad Arif; Wahab, Yussof; Muhammad, Rosnita; Tahir, Muhammad; Sakrani, Samsudi

2018-03-01

Development of controlled growth and vertically aligned ZnO/CuO core-shell heterojunction nanowires (NWs) with large area by a catalyst free vapor deposition and oxidation approach has been investigated. Structural characterization reveals successful fabrication of a core ZnO nanowire having single crystalline hexagonal wurtzite structure along [002] direction and CuO nanostructure shell with thickness (8-10 nm) having polycrystalline monoclinic structure. The optical property analysis suggests that the reflectance spectrum of ZnO/CuO heterostructure nanowires is decreased by 18% in the visible range, which correspondingly shows high absorption in this region as compared to pristine ZnO nanowires. The current-voltage (I-V) characteristics of core-shell heterojunction nanowires measured by conductive atomic force microscopy (C-AFM) shows excellent rectifying behavior, which indicates the characteristics of a good p-n junction. The high-resolution transmission electron microscopy (HRTEM) has confirmed the sharp junction interface between the core-shell heterojunction nanowire arrays. The valence band offset and conduction band offset at ZnO/CuO heterointerfaces are measured to be 2.4 ± 0.05 and 0.23 ± 0.005 eV respectively, using X-ray photoelectron spectroscopy (XPS) and a type-II band alignment structure is found. The results of this study contribute to the development of new advanced device heterostructures for solar energy conversion and optoelectronics applications.

Core structures of haemosiderins deposited in various organs in β-thalassaemia/haemoglobin e disease

NASA Astrophysics Data System (ADS)

St. Pierre, T. G.; Tran, K. C.; Webb, J.; Macey, D. J.; Pootrakul, P.; Dickson, D. P. E.

1992-04-01

Mössbauer spectra were recorded of tissue from β-thalassaemia/haemoglobin E spleen, liver, pancreas and heart and of crude haemosiderins (insoluble iron fractions) isolated from the organs. Iron in the crude haemosiderins from the spleen and heart remains paramagnetic below 4.2K indicating that the iron is in a non-crystalline form. Superparamagnetic behaviour of the crude haemosiderins from the pancreas and liver indicate the presence of ferrihydrite cores with some cores with a structure based on defect-goethite.

The comparison of numerical models of a sandwich panel in the context of the core deformations at the supports

NASA Astrophysics Data System (ADS)

Pozorska, Jolanta; Pozorski, Zbigniew

2018-01-01

The paper presents the problem of static structural behavior of sandwich panels at the supports. The panels have a soft core and correspond to typical structures applied in civil engineering. To analyze the problem, five different 3-D numerical models were created. The results were compared in the context of core compression and stress redistribution. The numerical solutions verify methods of evaluating the capacity of the sandwich panel that are known from the literature.

F-111 Adhesive Bonded Repairs Assessment Program - Progress Report 2: Analysis of FM300-2K Repairs

DTIC Science & Technology

2015-01-01

primarily the effect of panel skin thickness The previous report found that while repair location on the aircraft structure may have had some effect...typically are manufactured by adhesively bonding an upper and lower aluminium skin to aluminium honeycomb-core. The structure provides added stiffness to...component, one of the typical repair techniques requires removal of the damaged skin and honeycomb core. New core is adhesively bonded back in place and an

Realizing A Mid-Infrared Optically Pumped Molecular Gas Laser Inside Hollow-Core Photonic Crystal Fiber

DTIC Science & Technology

2012-01-01

54  Figure 5.2 External transmission of (a) BK7 glass , (b) CaF2, and (c) Germanium substrates of various thicknesses. The transmission values...a hollow, air-filled core surrounded by cladding structure which is comprised of a periodic array of smaller air holes. Unlike glass capillaries...region of the fiber’s core. The low overlap of the guided light with the HC-PCF’s glass structure together with a higher threshold for the onset of

Structural Basis for Near Unity Quantum Yield Core/Shell Nanostructures

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

McBride, James; Treadway, Joe; Pennycook, Stephen J

2006-01-01

Aberration-corrected Z-contrast scanning transmission electron microscopy of core/shell nanocrystals shows clear correlations between structure and quantum efficiency. Uniform shell coverage is obtained only for a graded CdS/ZnS shell material and is found to be critical to achieving near 100% quantum yield. The sublattice sensitivity of the images confirms that preferential growth takes place on the anion-terminated surfaces. This explains the three-dimensional "nanobullet" shape observed in the case of core/shell nanorods.

Molecular recognition in chiral smectic liquid crystals: the effect of core-core interactions and chirality transfer on polar order.

PubMed

Lemieux, Robert P

2007-12-01

This critical review focuses on the induction of polar order in smectic liquid crystal phases by dopants with axially chiral cores, and should be of interest to all practitioners of supramolecular chemistry. The variations in polarization power of these dopants with the core structure of the liquid crystal hosts is a manifestation of molecular recognition that reflects the nanosegregation of aromatic cores from paraffinic side-chains in smectic phases, and the collective effect of core-core interactions that enable the propagation of chiral perturbations.

Probing the Inner Core with P'P'

NASA Astrophysics Data System (ADS)

Day, E. A.; Irving, J. C. E.

2015-12-01

Geophysical observations of the inner core today improve our understanding not just of the processes occurring in the core at the present, but also those that have occurred in the past. As the inner core freezes it may record clues as to the state of the Earth at the time of growth, although the texture of the inner core may also be modified through post-solidification mechanisms. The seismic structure of the inner core is not simple; the dominant pattern is one of anisotropic and isotropic differences between the Eastern and Western 'hemispheres' of the inner core. Additionally, there is evidence for an innermost inner core, layering of the uppermost inner core, and possibly super-rotation of the inner core relative to the mantle. Most body wave studies of inner core structure use PKP-PKIKP differential travel times to constrain velocity variations within the inner core. However, body wave studies are inherently limited by the geometry of fixed sources and stations, and thus there are some areas of the inner core that are relatively under-sampled, even in today's data-rich world. Here, we examine the differential travel times of the different branches of P'P' (PKIKPPKIKP and PKPPKP), comparing the arrival time of inner core sensitive branch, P'P'df, with the arrival times of branches that only reach the outer core. By using P'P' we are able to exploit alternative ray geometries and sample different regions of the inner core to those areas accessible to studies which utilize PKIKP. We use both linear and non-linear stacking methods to make observations of small amplitude P'P' phases. These measurements match the broad scale hemispherical pattern of anisotropy in the inner core.

Morphosyntax of Complex Predicates in South Caucasian Languages

ERIC Educational Resources Information Center

Lomashvili, Leila

2010-01-01

The argument structure of complex predicates such as causatives and applicatives is closely associated with the functional heads that introduce core and non-core arguments: Voice, causative and applicative. These elements merge in a sentence structure at various cycles of derivation and take complements whose "size" accounts for the meaning and…

Nanospheres with a smectic hydrophobic core and an amorphous PEG hydrophilic shell: structural changes and implications for drug delivery

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

Murthy, N. Sanjeeva; Zhang, Zheng; Borsadia, Siddharth

The structural changes in nanospheres with a crystalline core and an amorphous diffuse shell were investigated by small-angle neutron scattering (SANS), small-, medium-, and wide-angle X-ray scattering (SAXS, MAXS and WAXS), and differential scanning calorimetry (DSC).

Interaction of structural core protein of Classical Swine Fever Virus with endoplasmic reticulum-associated degradation pathway protein OS9

USDA-ARS?s Scientific Manuscript database

Classical Swine Fever Virus (CSFV) Core protein is involved in virus RNA protection, transcription regulation and virus virulence. To discover additional Core protein functions a yeast two-hybrid system was used to identify host proteins that interact with Core. Among the identified host proteins, t...

Effect of stress on amorphous bent cores

NASA Astrophysics Data System (ADS)

Saito, Akihiko; Yamamoto, Ken-ichi; Kunimori, Osamu

1992-07-01

The effect of stress on bent amorphous cores with positive magnetostriction has been investigated. Tension has been applied to the ribbon while winding into the toroid to improve the magnetic properties of the core. The properties of the coercive force of the tension winding core due to applied tension have been made clear from the observation of the domain structure.

Small Angle Neutron-Scattering Studies of the Core Structure of Intact Neurosecretory Vesicles.

NASA Astrophysics Data System (ADS)

Krueger, Susan Takacs

Small angle neutron scattering (SANS) was used to study the state of the dense cores within intact neurosecretory vesicles. These vesicles transport the neurophysin proteins, along with their associated hormones, oxytocin or vasopressin, from the posterior pituitary gland to the bloodstream, where the entire vesicle contents are released. Knowledge of the vesicle core structure is important in developing an understanding of this release mechanism. Since the core constituents exist in a dense state at concentrations which cannot be reproduced (in solution) in the laboratory, a new method was developed to determine the core structure from SANS experiments performed on intact neurosecretory vesicles. These studies were complemented by biochemical assays performed to determine the role, if any, played by phospholipids in the interactions between the core constituents. H_2O/D_2 O ratio in the solvent can be adjusted, using the method of contrast variation, such that the scattering due to the vesicle membranes is minimized, thus emphasizing the scattering originating from the cores. The applicability of this method for examining the interior of biological vesicles was tested by performing an initial study on human red blood cells, which are similar in structure to other biological vesicles. Changes in intermolecular hemoglobin interactions, occurring when the ionic strength of the solvent was varied or when the cells were deoxygenated, were examined. The results agreed with those expected for dense protein solutions, indicating that the method developed was suitable for the study of hemoglobin within the cells. Similar SANS studies were then performed on intact neurosecretory vesicles. The experimental results were inconsistent with model calculations which assumed that the cores consisted of small, densely-packed particles or large, globular aggregates. Although a unique model could not be determined, the data suggest that the core constituents form long aggregates of varying cross-sectional diameters. The biochemical experiments not only confirmed the ability of the core constituents to form large aggregates but also established that phospholipids do not play a role in this aggregate formation.

10 CFR 55.41 - Written examination: Operators.

Code of Federal Regulations, 2011 CFR

2011-01-01

... coefficients, and poison effects. (2) General design features of the core, including core structure, fuel elements, control rods, core instrumentation, and coolant flow. (3) Mechanical components and design... changes, and operating limitations and reasons for these operating characteristics. (6) Design, components...

10 CFR 55.41 - Written examination: Operators.

Code of Federal Regulations, 2010 CFR

2010-01-01

... coefficients, and poison effects. (2) General design features of the core, including core structure, fuel elements, control rods, core instrumentation, and coolant flow. (3) Mechanical components and design... changes, and operating limitations and reasons for these operating characteristics. (6) Design, components...

10 CFR 55.41 - Written examination: Operators.

Code of Federal Regulations, 2012 CFR

2012-01-01

... coefficients, and poison effects. (2) General design features of the core, including core structure, fuel elements, control rods, core instrumentation, and coolant flow. (3) Mechanical components and design... changes, and operating limitations and reasons for these operating characteristics. (6) Design, components...

Effect of core geometry and size on concrete compressive strength.

DOT National Transportation Integrated Search

2016-07-01

To evaluate the in-place concrete strength for acceptance for a structural member with : potentially substandard strength, the compressive strength of cores may be required for : assessment. Depending on the geometry and size of the core specimen, th...

Earliest phases of star formation (EPoS). Dust temperature distributions in isolated starless cores

NASA Astrophysics Data System (ADS)

Lippok, N.; Launhardt, R.; Henning, Th.; Balog, Z.; Beuther, H.; Kainulainen, J.; Krause, O.; Linz, H.; Nielbock, M.; Ragan, S. E.; Robitaille, T. P.; Sadavoy, S. I.; Schmiedeke, A.

2016-07-01

Context. Stars form by the gravitational collapse of cold and dense molecular cloud cores. Constraining the temperature and density structure of such cores is fundamental for understanding the initial conditions of star formation. We use Herschel observations of the thermal far-infrared (FIR) dust emission from nearby and isolated molecular cloud cores and combine them with ground-based submillimeter continuum data to derive observational constraints on their temperature and density structure. Aims: The aim of this study is to verify the validity of a ray-tracing inversion technique developed to derive the dust temperature and density structure of nearby and isolated starless cores directly from the dust emission maps and to test if the resulting temperature and density profiles are consistent with physical models. Methods: We have developed a ray-tracing inversion technique that can be used to derive the temperature and density structure of starless cores directly from the observed dust emission maps without the need to make assumptions about the physical conditions. Using this ray-tracing inversion technique, we derive the dust temperature and density structure of six isolated starless molecular cloud cores from dust emission maps in the wavelengths range 100 μm-1.2 mm. We then employ self-consistent radiative transfer modeling to the density profiles derived with the ray-tracing inversion method. In this model, the interstellar radiation field (ISRF) is the only heating source. The local strength of the ISRF as well as the total extinction provided by the outer envelope are treated as semi-free parameters which we scale within defined limits. The best-fit values of both parameters are derived by comparing the self-consistently calculated temperature profiles with those derived by the ray-tracing method. Results: We confirm earlier results and show that all starless cores are significantly colder inside than outside, with central core temperatures in the range 7.5-11.9 K and envelope temperatures that are 2.4 - 9.6 K higher. The core temperatures show a strong negative correlation with peak column density which suggests that the thermal structure of the cores is dominated by external heating from the ISRF and shielding by dusty envelopes. We find that temperature profiles derived with the ray-tracing inversion method can be well-reproduced with self-consistent radiative transfer models if the cores have geometry that is not too complex and good data coverage with spatially resolved maps at five or more wavelengths in range between 100 μm and 1.2 mm. We also confirm results from earlier studies that found that the usually adopted canonical value of the total strength of the ISRF in the solar neighbourhood is incompatible with the most widely used dust opacity models for dense cores. However, with the data available for this study, we cannot uniquely resolve the degeneracy between dust opacity law and strength of the ISRF. Final T maps (FITS format) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/cgi-bin/qcat?J/A+A/592/A61

Structural control of InP/ZnS core/shell quantum dots enables high-quality white LEDs.

PubMed

Kumar, Baskaran Ganesh; Sadeghi, Sadra; Melikov, Rustamzhon; Aria, Mohammad Mohammadi; Jalali, Houman Bahmani; Ow-Yang, Cleva W; Nizamoglu, Sedat

2018-08-24

Herein, we demonstrate that the structural and optical control of InP-based quantum dots (QDs) can lead to high-performance light-emitting diodes (LEDs). Zinc sulphide (ZnS) shells passivate the InP QD core and increase the quantum yield in green-emitting QDs by 13-fold and red-emitting QDs by 8-fold. The optimised QDs are integrated in the liquid state to eliminate aggregation-induced emission quenching and we fabricated white LEDs with a warm, neutral and cool-white appearance by the down-conversion mechanism. The QD-functionalized white LEDs achieve luminous efficiency (LE) up to 14.7 lm W -1 and colour-rendering index up to 80. The structural and optical control of InP/ZnS core/shell QDs enable 23-fold enhancement in LE of white LEDs compared to ones containing only QDs of InP core.

Valence-band and core-level photoemission study of single-crystal Bi2CaSr2Cu2O8 superconductors

NASA Astrophysics Data System (ADS)

Shen, Z.-X.; Lindberg, P. A. P.; Wells, B. O.; Mitzi, D. B.; Lindau, I.; Spicer, W. E.; Kapitulnik, A.

1988-12-01

High-quality single crystals of Bi2CaSr2Cu2O8 superconductors have been prepared and cleaved in ultrahigh vacuum. Low-energy electron diffraction measurements show that the surface structure is consistent with the bulk crystal structure. Ultraviolet photoemission and x-ray photoemission experiments were performed on these well-characterized sample surfaces. The valence-band and the core-level spectra obtained from the single-crystal surfaces are in agreement with spectra recorded from polycrystalline samples, justifying earlier results from polycrystalline samples. Cu satellites are observed both in the valence band and Cu 2p core level, signaling the strong correlation among the Cu 3d electrons. The O 1s core-level data exhibit a sharp, single peak at 529-eV binding energy without any clear satellite structures.

Hyper thin 3D edge measurement of honeycomb core structures based on the triangular camera-projector layout & phase-based stereo matching.

PubMed

Jiang, Hongzhi; Zhao, Huijie; Li, Xudong; Quan, Chenggen

2016-03-07

We propose a novel hyper thin 3D edge measurement technique to measure the profile of 3D outer envelope of honeycomb core structures. The width of the edges of the honeycomb core is less than 0.1 mm. We introduce a triangular layout design consisting of two cameras and one projector to measure hyper thin 3D edges and eliminate data interference from the walls. A phase-shifting algorithm and the multi-frequency heterodyne phase-unwrapping principle are applied for phase retrievals on edges. A new stereo matching method based on phase mapping and epipolar constraint is presented to solve correspondence searching on the edges and remove false matches resulting in 3D outliers. Experimental results demonstrate the effectiveness of the proposed method for measuring the 3D profile of honeycomb core structures.

Chemical and thermal stability of core-shelled magnetite nanoparticles and solid silica

NASA Astrophysics Data System (ADS)

Cendrowski, Krzysztof; Sikora, Pawel; Zielinska, Beata; Horszczaruk, Elzbieta; Mijowska, Ewa

2017-06-01

Pristine nanoparticles of magnetite were coated by solid silica shell forming core/shell structure. 20 nm thick silica coating significantly enhanced the chemical and thermal stability of the iron oxide. Chemical and thermal stability of this structure has been compared to the magnetite coated by mesoporous shell and pristine magnetite nanoparticles. It is assumed that six-membered silica rings in a solid silica shell limit the rate of oxygen diffusion during thermal treatment in air and prevent the access of HCl molecules to the core during chemical etching. Therefore, the core/shell structure with a solid shell requires a longer time to induce the oxidation of iron oxide to a higher oxidation state and, basically, even strong concentrated acid such as HCl is not able to dissolve it totally in one month. This leads to the desired performance of the material in potential applications such as catalysis and environmental protection.

New core-pyrene π structure organophotocatalysts usable as highly efficient photoinitiators

PubMed Central

Telitel, Sofia; Dumur, Frédéric; Faury, Thomas; Graff, Bernadette; Tehfe, Mohamad-Ali; Fouassier, Jean-Pierre

2013-01-01

Summary Eleven di- and trifunctional compounds based on a core-pyrene π structure (Co_Py) were synthesized and investigated for the formation of free radicals. The application of two- and three-component photoinitiating systems (different Co_Pys with the addition of iodonium or sulfonium salts, alkyl halide or amine) was investigated in detail for cationic and radical photopolymerization reactions under near-UV–vis light. The proposed compounds can behave as new photocatalysts. Successful results in terms of rates of polymerization and final conversions were obtained. The strong MO coupling between the six different cores and the pyrene moiety was studied by DFT calculations. The different chemical intermediates are characterized by ESR and laser flash photolysis experiments. The mechanisms involved in the initiation step are discussed, and relationships between the core structure, the Co_Py absorption property, and the polymerization ability are tentatively proposed. PMID:23766803

Investigation of CuInSe2 nanowire arrays with core-shell structure electrodeposited at various duty cycles into anodic alumina templates

NASA Astrophysics Data System (ADS)

Cheng, Yu-Song; Wang, Na-Fu; Tsai, Yu-Zen; Lin, Jia-Jun; Houng, Mau-Phon

2017-02-01

Copper indium selenide (CuInSe2) nanowire (NW) arrays were prepared at various electrolyte duty cycles by filling anodic alumina templates through the pulsed electrodeposition technique. X-ray diffraction and scanning electron microscopy (SEM) images showed that the nucleation mechanism of CuInSe2 NW arrays was affected by the electrodeposition duty cycle. Moreover, SEM images showed that the diameter and length of the NWs were 80 nm and 2 μm, respectively. Furthermore, PEDOT/CuInSe2 NW core-shell arrays were fabricated using surfactant-modified CuInSe2 NW surfaces showing the lotus effect. Transmission electron microscopy images confirmed that a core-shell structure was achieved. Current-voltage plots revealed that the CuInSe2 NW arrays were p-type semiconductors; moreover, the core-shell structure improved the diode ideality factor from 3.91 to 2.63.

Characterization of polymer chain fractions of kiwifruit starch.

PubMed

Li, Dongxing; Zhu, Fan

2018-02-01

In this report, the amylose composition and molecular structure of starches from the core and outer pericarp of 3 golden kiwifruit varieties were characterised, using enzymatic and chromatographic techniques. Starches from the core tissues of kiwifruit tend to have higher amylose contents (by ∼3-5%) and longer unit chains of both amylopectins and their φ, β-limit dextrins (LDs) than those of the outer pericarp starches. The contents of short B-chains of the φ, β-LDs of amylopectins from the outer pericarp were higher (by ∼3%) than those of φ, β-LDs of the core amylopectins. Overall, the composition and structure of starches from the outer pericarp and core tissues of a golden kiwifruit were different. This study provides a structural basis to further investigate the starch degradation in kiwifruit, which may be of importance for the storage and eating quality of the fruit. Copyright © 2017 Elsevier Ltd. All rights reserved.

Head-on collision of multistate ultralight BEC dark matter configurations

NASA Astrophysics Data System (ADS)

Guzmán, F. S.; Avilez, Ana A.

2018-06-01

Density profiles of ultralight Bose-condensate dark matter inferred from numerical simulations of structure formation, ruled by the Gross-Pitaevskii-Poisson (GPP) system of equations, have a core-tail structure. Multistate equilibrium configurations of the GPP system, on the other hand, have a similar core-tail density profile. We now submit these multistate configurations to highly dynamical scenarios and show their potential as providers of appropriate density profiles of structures. We present the simulation of head-on collisions between two equilibrium configurations of the GPP system of equations, including the collision of ground state with multistate configurations. We study the regimes of solitonic and merger behavior and show generic properties of the dynamics of the system, including the relaxation process and attractor density profiles. We show that the merger of multistate configurations has the potential to produce core-tail density profiles, with the core dominated by the ground state and the halo dominated by an additional state.

Native structure of a type IV secretion system core complex essential for Legionella pathogenesis.

PubMed

Kubori, Tomoko; Koike, Masafumi; Bui, Xuan Thanh; Higaki, Saori; Aizawa, Shin-Ichi; Nagai, Hiroki

2014-08-12

Bacterial type IV secretion systems are evolutionarily related to conjugation systems and play a pivotal role in infection by delivering numerous virulence factors into host cells. Using transmission electron microscopy, we report the native molecular structure of the core complex of the Dot/Icm type IV secretion system encoded by Legionella pneumophila, an intracellular human pathogen. The biochemically isolated core complex, composed of at least five proteins--DotC, DotD, DotF, DotG, and DotH--has a ring-shaped structure. Intriguingly, morphologically distinct premature complexes are formed in the absence of DotG or DotF. Our data suggest that DotG forms a central channel spanning inner and outer membranes. DotF, a component dispensable for type IV secretion, plays a role in efficient embedment of DotG into the functional core complex. These results highlight a common scheme for the biogenesis of transport machinery.

Improved Numerical Calculation of the Single-Mode-No-Core-Single-Mode Fiber Structure Using the Fields Far from Cutoff Approximation

PubMed Central

Yang, Xianchao; Xu, Degang; Rong, Feng; Zhao, Junfa; Yao, Jianquan

2017-01-01

Multimode interferometers based on the single-mode-no-core-single-mode fiber (SNCS) structure have been widely investigated as functional devices and sensors. However, the theoretical support for the sensing mechanism is still imperfect, especially for the cladding refractive index response. In this paper, a modified model of no-core fiber (NCF) based on far from cut-off approximation is proposed to investigate the spectrum characteristic and sensing mechanism of the SNCS structure. Guided-mode propagation analysis (MPA) is used to analyze the self-image effect and spectrum response to the cladding refractive index and temperature. Verified by experiments, the performance of the SNCS structure can be estimated specifically and easily by the proposed method. PMID:28961174

Optical fiber curvature sensor based on MMF-SCF-MMF structure

NASA Astrophysics Data System (ADS)

Wang, Qi; Liu, Yu

2018-07-01

A sensitive curvature sensor based on MMF-SCF-MMF (MMF: multimode fiber; SCF: seven core fiber) structure is proposed. The multimode fiber (MMF) are used to improve the light coupling efficiency between the input singlemode fiber (SMF) and the seven-core fiber (SCF), and the seven-core fiber is used as the main element for curvature measurement. Experimental results show that the best curvature sensitivity reaches 41.46453 nm/m-1 in the range of 0.094 m-1-0.567 m-1. The temperature sensitivity is up to 59.02 pm/°C in the range of 20 °C-55 °C. The optical curvature sensors are widely used for buildings structure health monitoring and mechanical engineering due to the advantages of compact structure, anti-electromagnetic interference, and low cost.

A theoretical and experimental benchmark study of core-excited states in nitrogen

NASA Astrophysics Data System (ADS)

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Markus; Koch, Henrik

2018-02-01

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. The computational results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.

Reversed Cherenkov emission of terahertz waves from an ultrashort laser pulse in a sandwich structure with nonlinear core and left-handed cladding.

PubMed

Bakunov, M I; Mikhaylovskiy, R V; Bodrov, S B; Luk'yanchuk, B S

2010-01-18

We propose a scheme for an experimental verification of the reversed Cherenkov effect in left-handed media. The scheme uses optical-to-terahertz conversion in a planar sandwichlike structure that consists of a nonlinear core cladded with a material that exhibits left-handedness at terahertz frequencies. The focused into a line femtosecond laser pulse propagates in the core and emits Cherenkov wedge of terahertz waves in the cladding. We developed a theory that describes terahertz generation in such a structure and calculated spatial distribution of the generated terahertz field, its energy spectrum, and optical-to-terahertz conversion efficiency. The proposed structure can be a useful tool for characterization of the electromagnetic properties of metamaterials in the terahertz frequency range.

THE THREE-DIMENSIONAL EVOLUTION TO CORE COLLAPSE OF A MASSIVE STAR

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

Couch, Sean M.; Chatzopoulos, Emmanouil; Arnett, W. David

2015-07-20

We present the first three-dimensional (3D) simulation of the final minutes of iron core growth in a massive star, up to and including the point of core gravitational instability and collapse. We capture the development of strong convection driven by violent Si burning in the shell surrounding the iron core. This convective burning builds the iron core to its critical mass and collapse ensues, driven by electron capture and photodisintegration. The non-spherical structure and motion generated by 3D convection is substantial at the point of collapse, with convective speeds of several hundreds of km s{sup −1}. We examine the impactmore » of such physically realistic 3D initial conditions on the core-collapse supernova mechanism using 3D simulations including multispecies neutrino leakage and find that the enhanced post-shock turbulence resulting from 3D progenitor structure aids successful explosions. We conclude that non-spherical progenitor structure should not be ignored, and should have a significant and favorable impact on the likelihood for neutrino-driven explosions. In order to make simulating the 3D collapse of an iron core feasible, we were forced to make approximations to the nuclear network making this effort only a first step toward accurate, self-consistent 3D stellar evolution models of the end states of massive stars.« less

Monocrystalline platinum-nickel branched nanocages with enhanced catalytic performance towards the hydrogen evolution reaction.

PubMed

Cao, Zhenming; Li, Huiqi; Zhan, Chenyang; Zhang, Jiawei; Wang, Wei; Xu, Binbin; Lu, Fa; Jiang, Yaqi; Xie, Zhaoxiong; Zheng, Lansun

2018-03-15

Single crystalline noble metal nanocages are the most promising candidates for heterogeneous catalysis due to their large specific surface area, well-defined structure and enhanced structural stability. Herein, based on the observation of an unexpected phenomenon that the alloying of Pt and transition metals by co-reduction is more preferential than the formation of pure Pt NCs, we propose a feasible one-pot strategy to synthesize a uniformly epitaxial core-shell Pt-Ni structure with a Ni-rich alloy as the core and a Pt-rich alloy as the shell. The as-prepared Pt-Ni core-shell structures are subsequently etched into monocrystalline Pt-Ni branched nanocages with the wall thickness being 2.8 nm. This unique structure exhibits excellent catalytic performance and stability for the hydrogen evolution reaction (HER) in alkaline solution which is of great significance for the energy-intensive water-alkali and chlor-alkali industry.

Analysis of an Aircraft Honeycomb Sandwich Panel with Circular Face Sheet/Core Disbond Subjected to Ground-Air Pressurization

NASA Technical Reports Server (NTRS)

Rinker, Martin; Krueger, Ronald; Ratcliffe, James

2013-01-01

The ground-air pressurization of lightweight honeycomb sandwich structures caused by alternating pressure differences between the enclosed air within the honeycomb core and the ambient environment is a well-known and controllable loading condition of aerospace structures. However, initial face sheet/core disbonds intensify the face sheet peeling effect of the internal pressure load significantly and can decrease the reliability of the sandwich structure drastically. Within this paper, a numerical parameter study was carried out to investigate the criticality of initial disbonds in honeycomb sandwich structures under ground-air pressurization. A fracture mechanics approach was used to evaluate the loading at the disbond front. In this case, the strain energy release rate was computed via the Virtual Crack Closure Technique. Special attention was paid to the pressure-deformation coupling which can decrease the pressure load within the disbonded sandwich section significantly when the structure is highly deformed.

Atomic structure of the Y complex of the nuclear pore

DOE PAGES

Kelley, Kotaro; Knockenhauer, Kevin E.; Kabachinski, Greg; ...

2015-03-30

The nuclear pore complex (NPC) is the principal gateway for transport into and out of the nucleus. Selectivity is achieved through the hydrogel-like core of the NPC. The structural integrity of the NPC depends on ~15 architectural proteins, which are organized in distinct subcomplexes to form the >40-MDa ring-like structure. In this paper, we present the 4.1-Å crystal structure of a heterotetrameric core element ('hub') of the Y complex, the essential NPC building block, from Myceliophthora thermophila. Using the hub structure together with known Y-complex fragments, we built the entire ~0.5-MDa Y complex. Our data reveal that the conserved coremore » of the Y complex has six rather than seven members. Finally, evolutionarily distant Y-complex assemblies share a conserved core that is very similar in shape and dimension, thus suggesting that there are closely related architectural codes for constructing the NPC in all eukaryotes.« less

Dye-sensitized solar cells employing a SnO2-TiO2 core-shell structure made by atomic layer deposition.

PubMed

Karlsson, Martin; Jõgi, Indrek; Eriksson, Susanna K; Rensmo, Håkan; Boman, Mats; Boschloo, Gerrit; Hagfeldt, Anders

2013-01-01

This paper describes the synthesis and characterization of core-shell structures, based on SnO2 and TiO2, for use in dye-sensitized solar cells (DSC). Atomic layer deposition is employed to control and vary the thickness of the TiO2 shell. Increasing the TiO2 shell thickness to 2 nm improved the device performance of liquid electrolyte-based DSC from 0.7% to 3.5%. The increase in efficiency originates from a higher open-circuit potential and a higher short-circuit current, as well as from an improvement in the electron lifetime. SnO2-TiO2 core-shell DSC devices retain their photovoltage in darkness for longer than 500 seconds, demonstrating that the electrons are contained in the core material. Finally core-shell structures were used for solid-state DSC applications using the hole transporting material 2,2',7,7',-tetrakis(N, N-di-p-methoxyphenyl-amine)-9,9',-spirofluorene. Similar improvements in device performance were obtained for solid-state DSC devices.

Unifying Inference of Meso-Scale Structures in Networks.

PubMed

Tunç, Birkan; Verma, Ragini

2015-01-01

Networks are among the most prevalent formal representations in scientific studies, employed to depict interactions between objects such as molecules, neuronal clusters, or social groups. Studies performed at meso-scale that involve grouping of objects based on their distinctive interaction patterns form one of the main lines of investigation in network science. In a social network, for instance, meso-scale structures can correspond to isolated social groupings or groups of individuals that serve as a communication core. Currently, the research on different meso-scale structures such as community and core-periphery structures has been conducted via independent approaches, which precludes the possibility of an algorithmic design that can handle multiple meso-scale structures and deciding which structure explains the observed data better. In this study, we propose a unified formulation for the algorithmic detection and analysis of different meso-scale structures. This facilitates the investigation of hybrid structures that capture the interplay between multiple meso-scale structures and statistical comparison of competing structures, all of which have been hitherto unavailable. We demonstrate the applicability of the methodology in analyzing the human brain network, by determining the dominant organizational structure (communities) of the brain, as well as its auxiliary characteristics (core-periphery).

Core and peripheral criteria of video game addiction in the game addiction scale for adolescents.

PubMed

Brunborg, Geir Scott; Hanss, Daniel; Mentzoni, Rune Aune; Pallesen, Ståle

2015-05-01

Assessment of video game addiction often involves measurement of peripheral criteria that indicate high engagement with games, and core criteria that indicate problematic use of games. A survey of the Norwegian population aged 16-74 years (N=10,081, response rate 43.6%) was carried out in 2013, which included the Gaming Addiction Scale for Adolescents (GAS). Confirmatory factor analysis showed that a two-factor structure, which separated peripheral criteria from core criteria, fitted the data better (CFI=0.963; RMSEA=0.058) compared to the original one-factor solution where all items are determined to load only on one factor (CFI=0.905, RMSEA=0.089). This was also found when we analyzed men aged ≤33 years, men aged >33 years, women aged ≤33 years, and women aged >33 years separately. This indicates that the GAS measures both engagement and problems related to video games. Multi-group measurement invariance testing showed that the factor structure was valid in all four groups (configural invariance) for the two-factor structure but not for the one-factor structure. A novel approach to categorization of problem gamers and addicted gamers where only the core criteria items are used (the CORE 4 approach) was compared to the approach where all items are included (the GAS 7 approach). The current results suggest that the CORE 4 approach might be more appropriate for classification of problem gamers and addicted gamers compared to the GAS 7 approach.

Relationship of D'' structure with the velocity variations near the inner-core boundary

NASA Astrophysics Data System (ADS)

Luo, Sheng-Nian; Ni, Sidao; Helmberger, Don

2002-06-01

Variations in regional differential times between PKiKP (i) and PKIKP (I) have been attributed to hemispheric P-velocity variations of about 1% in the upper 100 km of the inner core (referred to as HIC). The top of the inner core appears relatively fast beneath Asia where D'' is also fast. An alternative interpretation could be the lateral variation in P velocity at the lowermost outer core (HOC) producing the same differential times. To resolve this issue, we introduce the diffracted PKP phase near the B caustic (Bdiff) in the range of 139-145° epicenter distances, and the corresponding differential times between Bdiff and PKiKP and PKIKP as observed on broadband arrays. Due to the long-wavelength nature of Bdiff, we scaled the S-wave tomography model with k values (k ≡ dlnVs/dlnVp) to obtain large-scale P-wave velocity structure in the lower mantle as proposed by earlier studies. Waveform synthetics of Bdiff constructed with small k's predict complex waveforms not commonly observed, confirming the validity of large scaling factor k. With P-velocity in lower mantle constrained at large scale, the extra travel-time constraint imposed by Bdiff helps to resolve the HOC-HIC issue. Our preliminary results suggest k > 2 for the lowermost mantle and support HIC hypothesis. An important implication is that there appears to be a relationship of D'' velocity structures with the structures near the inner core boundary via core dynamics.

Dynamo Tests for Stratification Below the Core-Mantle Boundary

NASA Astrophysics Data System (ADS)

Olson, P.; Landeau, M.

2017-12-01

Evidence from seismology, mineral physics, and core dynamics points to a layer with an overall stable stratification in the Earth's outer core, possibly thermal in origin, extending below the core-mantle boundary (CMB) for several hundred kilometers. In contrast, energetic deep mantle convection with elevated heat flux implies locally unstable thermal stratification below the CMB in places, consistent with interpretations of non-dipole geomagnetic field behavior that favor upwelling flows below the CMB. Here, we model the structure of convection and magnetic fields in the core using numerical dynamos with laterally heterogeneous boundary heat flux in order to rationalize this conflicting evidence. Strongly heterogeneous boundary heat flux generates localized convection beneath the CMB that coexists with an overall stable stratification there. Partially stratified dynamos have distinctive time average magnetic field structures. Without stratification or with stratification confined to a thin layer, the octupole component is small and the CMB magnetic field structure includes polar intensity minima. With more extensive stratification, the octupole component is large and the magnetic field structure includes intense patches or high intensity lobes in the polar regions. Comparisons with the time-averaged geomagnetic field are generally favorable for partial stratification in a thin layer but unfavorable for stratification in a thick layer beneath the CMB.

Manson impact structure, Iowa: First geochemical results for drill core M-1

NASA Technical Reports Server (NTRS)

Koeberl, Christian; Anderson, Raymond R.; Hartung, Jack B.; Reimold, Wolf Uwe

1993-01-01

The Manson Impact Structure is a large complex impact crater centered ca. S km north of the town of Manson, Iowa. It is the largest intact impact structure recognized in the United States (35 km in diameter). Its Ar-40/Ar-39 age is indistinguishable from that of the Cretaceous-Tertiary (K-T) boundary. The Manson structure may be one element of the events at the K-T boundary. The crater is completely covered by Quaternary glacial sedimentary deposits that are normally underlain by Cretaceous clastic sediments and flat-lying carbonate sediments of Phanerozoic age, as well as Proterozoic red clastic, metamorphic, volcanic, and plutonic rock sequences. The study of a reflection seismic profile, provided by Amoco, was critical in interpreting the structure. In the 35 km diameter zone that marks the extension of the crater the normal rock sequence is disturbed due to the impact, and at the center of the structure granitic basement rocks are present that have been uplifted from about 4 km depth. Our studies consist of detailed petrological and geochemical characterization of all cores, with emphasis on a detailed description of all rock types found in the core samples and their relationship to target rocks. Geochemical data on samples from the Manson M-1 core are presented.

Manson impact structure, Iowa: First geochemical results for drill core M-1

NASA Astrophysics Data System (ADS)

Koeberl, Christian; Anderson, Raymond R.; Hartung, Jack B.; Reimold, Wolf Uwe

1993-03-01

The Manson Impact Structure is a large complex impact crater centered ca. S km north of the town of Manson, Iowa. It is the largest intact impact structure recognized in the United States (35 km in diameter). Its Ar-40/Ar-39 age is indistinguishable from that of the Cretaceous-Tertiary (K-T) boundary. The Manson structure may be one element of the events at the K-T boundary. The crater is completely covered by Quaternary glacial sedimentary deposits that are normally underlain by Cretaceous clastic sediments and flat-lying carbonate sediments of Phanerozoic age, as well as Proterozoic red clastic, metamorphic, volcanic, and plutonic rock sequences. The study of a reflection seismic profile, provided by Amoco, was critical in interpreting the structure. In the 35 km diameter zone that marks the extension of the crater the normal rock sequence is disturbed due to the impact, and at the center of the structure granitic basement rocks are present that have been uplifted from about 4 km depth. Our studies consist of detailed petrological and geochemical characterization of all cores, with emphasis on a detailed description of all rock types found in the core samples and their relationship to target rocks. Geochemical data on samples from the Manson M-1 core are presented.

Lipopolysaccharide Structure and Biosynthesis in Helicobacter pylori.

PubMed

Li, Hong; Liao, Tingting; Debowski, Aleksandra W; Tang, Hong; Nilsson, Hans-Olof; Stubbs, Keith A; Marshall, Barry J; Benghezal, Mohammed

2016-12-01

This review covers the current knowledge and gaps in Helicobacter pylori lipopolysaccharide (LPS) structure and biosynthesis. H. pylori is a Gram-negative bacterium which colonizes the luminal surface of the human gastric epithelium. Both a constitutive alteration of the lipid A preventing TLR4 elicitation and host mimicry of the Lewis antigen decorated O-antigen of H. pylori LPS promote immune escape and chronic infection. To date, the complete structure of H. pylori LPS is not available, and the proposed model is a linear arrangement composed of the inner core defined as the hexa-saccharide (Kdo-LD-Hep-LD-Hep-DD-Hep-Gal-Glc), the outer core composed of a conserved trisaccharide (-GlcNAc-Fuc-DD-Hep-) linked to the third heptose of the inner core, the glucan, the heptan and a variable O-antigen, generally consisting of a poly-LacNAc decorated with Lewis antigens. Although the glycosyltransferases (GTs) responsible for the biosynthesis of the H. pylori O-antigen chains have been identified and characterized, there are many gaps in regard to the biosynthesis of the core LPS. These limitations warrant additional mutagenesis and structural studies to obtain the complete LPS structure and corresponding biosynthetic pathway of this important gastric bacterium. © 2016 John Wiley & Sons Ltd.

The fuzzy oil drop model, based on hydrophobicity density distribution, generalizes the influence of water environment on protein structure and function.

PubMed

Banach, Mateusz; Konieczny, Leszek; Roterman, Irena

2014-10-21

In this paper we show that the fuzzy oil drop model represents a general framework for describing the generation of hydrophobic cores in proteins and thus provides insight into the influence of the water environment upon protein structure and stability. The model has been successfully applied in the study of a wide range of proteins, however this paper focuses specifically on domains representing immunoglobulin-like folds. Here we provide evidence that immunoglobulin-like domains, despite being structurally similar, differ with respect to their participation in the generation of hydrophobic core. It is shown that β-structural fragments in β-barrels participate in hydrophobic core formation in a highly differentiated manner. Quantitatively measured participation in core formation helps explain the variable stability of proteins and is shown to be related to their biological properties. This also includes the known tendency of immunoglobulin domains to form amyloids, as shown using transthyretin to reveal the clear relation between amyloidogenic properties and structural characteristics based on the fuzzy oil drop model. Copyright © 2014 The Authors. Published by Elsevier Ltd.. All rights reserved.

Unsymmetrical Bimetallic Complexes with MII–(μ-OH)–MII Cores (MIIMIII = FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties

PubMed Central

Sano, Yohei; Weitz, Andrew C.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A.S.

2013-01-01

Heterobimetallic cores are important unit within the active sites of metalloproteins, but are often difficult to duplicate in synthetic systems. We have developed a synthetic approach for the preparation of a complex with a MnII–(μ-OH)–FeIII core, in which the metal centers have different coordination environments. Structural and physical data support the assignment of this complex as a heterobimetallic system. Comparison with the analogous homobimetallic complexes, those containing MnII–(μ-OH)–MnIII and FeII–(μ-OH)–FeIII cores, further supports this assignment. PMID:23992041

Fluorescent solute-partitioning characterization of layered soft contact lenses.

PubMed

Dursch, T J; Liu, D E; Oh, Y; Radke, C J

2015-03-01

Partitioning of aqueous packaging, wetting, and care-solution agents into and out of soft contact lenses (SCLs) is important for improving wear comfort and also for characterizing lens physico-chemical properties. We illustrate both features of partitioning by application of fluorescent-solute partitioning into DAILIES TOTAL1® (delefilcon A) water-gradient SCLs, which exhibit a layered structure of a silicone-hydrogel (SiHy) core sandwiched between thin surface-gel layers. Two-photon fluorescence confocal laser-scanning microscopy and attenuated total-reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) characterize the lens and assess uptake profiles of six prototypical fluorescent solutes. Comparison of solute uptake in a SiHy-core prototype lens (i.e., O2OPTIX(TM)) validates the core SiHy structure of DAILIESTOTAL1®. To establish surface-layer charge, partition coefficients and water contents are obtained for aqueous pH values of 4 and 7.4. Solute fluorescence-intensity profiles clearly confirm a layered structure for the DAILIES TOTAL1® lenses. In all cases, aqueous solute partition coefficients are greater in the surface layers than in the SiHy core, signifying higher water in the surface gels. ATR-FTIR confirms surface-layer mass water contents of 82±3%. Water uptake and hydrophilic-solute uptake at pH 4 compared with that at pH 7.4 reveal that the surface-gel layers are anionic at physiologic pH 7.4, whereas both the SiHy core and O2OPTIX™ (lotrafilcon B) are nonionic. We successfully confirm the layered structure of DAILIES TOTAL1®, consisting of an 80-μm-thick SiHy core surrounded by 10-μm-thick polyelectrolyte surface-gel layers of significantly greater water content and aqueous solute uptake compared with the core. Accordingly, fluorescent-solute partitioning in SCLs provides information on gel structure and composition, in addition to quantifying uptake and release amounts and rates. Copyright © 2014 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The extracellular matrix of rat pacinian corpuscles: an analysis of its fine structure.

PubMed

Dubový, P; Bednárová, J

1999-12-01

The Pacinian corpuscle consists of a sensory axon terminal that is enveloped by two different structures, the inner core and the capsule. Since proteoglycans are extremely water soluble and are extracted by conventional methods for electron microscopy, the current picture of the structural composition of the extracellular matrix in the inner core and the capsule of the Pacinian corpuscle is incomplete. To study the structural composition of the extracellular matrix of the Pacinian corpuscles, cationic dyes (ruthenium red, alcian blue, acridine orange) and tannic acid were applied simultaneously with the aldehyde fixation. The interosseal Pacinian corpuscles of the rat were fixed either in 2% formaldehyde and 1.5% glutaraldehyde, with the addition of one of these cationic dyes or, in Zamboni's fixative, with tannic acid added. The cationic dyes and tannic acid revealed a different structural pattern of proteoglycans in the extracellular matrix in the inner core and in the capsule of the rat Pacinian corpuscles. The inner core surrounding the sensory axon terminal is a compartment containing proteoglycans that were distributed not only in the extracellular matrix but also in the cytoplasm of the lamellae. In addition, this excitable domain was separated from the capsular fluid by a thick layer of proteoglycans on its surface. An enlarged interlamellar space of the capsule contained large amounts of proteoglycans that were removed by digestion with chondroitinase-ABC. Ruthenium red and alcian blue provided only electron dense granules, probably corresponding to collapsed monomeric proteoglycan molecules. Acridine orange and tannic acid preserved proteoglycans very well and made it possible to visualize them as "bottlebrush" structures in the electron microscope. These results show that the inner core and the capsule of rat Pacinian corpuscles have different structural patterns of proteoglycans, which are probably involved in different functions.

Magnetic Behavior of Ni-Fe Core-Shell and Alloy Nanowires

NASA Astrophysics Data System (ADS)

Tripathy, Jagnyaseni; Vargas, Jose; Spinu, Leonard; Wiley, John

2013-03-01

Template assisted synthesis was used to fabricate a series of Ni-Fe core-shell and alloy nanowires. By controlling reaction conditions as well as pore structure, both systems could be targeted and magnetic properties followed as a function of architectures. In the core-shell structure coercivity increases with decrease in shell thickness while for the alloys, coercivity squareness improve with increase pore diameter. Details on the systematic studies of these materials will be presented in terms of hysteretic measurements, including first order reversal curves (FORC), and FMR data. Magnetic variation as a function of structure and nanowire aspect ratios will be presented and the origins of these behaviors discussed. Advanced Material Research Institute

Efficient Design and Analysis of Lightweight Reinforced Core Sandwich and PRSEUS Structures

NASA Technical Reports Server (NTRS)

Bednarcyk, Brett A.; Yarrington, Phillip W.; Lucking, Ryan C.; Collier, Craig S.; Ainsworth, James J.; Toubia, Elias A.

2012-01-01

Design, analysis, and sizing methods for two novel structural panel concepts have been developed and incorporated into the HyperSizer Structural Sizing Software. Reinforced Core Sandwich (RCS) panels consist of a foam core with reinforcing composite webs connecting composite facesheets. Boeing s Pultruded Rod Stitched Efficient Unitized Structure (PRSEUS) panels use a pultruded unidirectional composite rod to provide axial stiffness along with integrated transverse frames and stitching. Both of these structural concepts are ovencured and have shown great promise applications in lightweight structures, but have suffered from the lack of efficient sizing capabilities similar to those that exist for honeycomb sandwich, foam sandwich, hat stiffened, and other, more traditional concepts. Now, with accurate design methods for RCS and PRSEUS panels available in HyperSizer, these concepts can be traded and used in designs as is done with the more traditional structural concepts. The methods developed to enable sizing of RCS and PRSEUS are outlined, as are results showing the validity and utility of the methods. Applications include several large NASA heavy lift launch vehicle structures.

Quantitative Characterisation of Fracturing Around the Damage Zone Surrounding New Zealand's Alpine Fault Using X-ray CT Scans of DFDP-1 Core

NASA Astrophysics Data System (ADS)

Williams, J. N.; Toy, V.; Massiot, C.; Mcnamara, D. D.; Wang, T.

2015-12-01

X-ray computer tomography (CT) scans of core recovered from the first phase of the Deep Fault Drilling Project (DFDP-1) through the Alpine Fault provide an excellent opportunity to analyse brittle deformation around the fault. In particular, assessment can be made of the heavily fractured protolith constituting the damage zone. Damage zone structures are divided into two types that result from two distinct processes: (1) "off fault damage" formed by stress changes induced by the passage of a seismic rupture and (2) "off fault deformation" that represent structures, which accommodate strain around the fault that was not localised on the principal slip zone (PSZ). The distribution of these damage zones structures within CT scans of the recovered core was measured along a scanline parallel to the core axis and assessed using a weighted moving average technique to account for orientation bias. The results of this analysis reveal that within the part of the fault rocks sampled by DFDP-1 there is no increase in density of these structures towards the PSZ. This is in agreement with independent analysis using Borehole Televiewer Data of the DFDP-1B borehole. Instead, we consider the density of these structures to be controlled to the first order by lithology, which modulates the mechanical properties of the fault rocks such as its frictional strength and cohesion. Comparisons of fracture density to p-wave velocities obtained from wireline logs indicate they are independent of each other, therefore, for the cores sampled in this study fractures impart no influence on the elastic properties of the rock. This is consistent with the observation from core that the majority of fractures are cemented. We consider how this might influence future rupture dynamics.

Longitudinal factorial invariance of the PedsQL 4.0 Generic Core Scales child self-report Version: one year prospective evidence from the California State Children's Health Insurance Program (SCHIP).

PubMed

Varni, James W; Limbers, Christine A; Newman, Daniel A; Seid, Michael

2008-11-01

The measurement of health-related quality of life (HRQOL) in pediatric medicine and health services research has grown significantly over the past decade. The paradigm shift toward patient-reported outcomes (PROs) has provided the opportunity to emphasize the value and critical need for pediatric patient self-report. In order for changes in HRQOL/PRO outcomes to be meaningful over time, it is essential to demonstrate longitudinal factorial invariance. This study examined the longitudinal factor structure of the PedsQL 4.0 Generic Core Scales over a one-year period for child self-report ages 5-17 in 2,887 children from a statewide evaluation of the California State Children's Health Insurance Program (SCHIP) utilizing a structural equation modeling framework. Specifying four- and five-factor measurement models, longitudinal structural equation modeling was used to compare factor structures over a one-year interval on the PedsQL 4.0 Generic Core Scales. While the four-factor conceptually-derived measurement model for the PedsQL 4.0 Generic Core Scales produced an acceptable fit, the five-factor empirically-derived measurement model from the initial field test of the PedsQL 4.0 Generic Core Scales produced a marginally superior fit in comparison to the four-factor model. For the five-factor measurement model, the best fitting model, strict factorial invariance of the PedsQL 4.0 Generic Core Scales across the two measurement occasions was supported by the stability of the comparative fit index between the unconstrained and constrained models, and several additional indices of practical fit including the root mean squared error of approximation, the non-normed fit index, and the parsimony normed fit index. The findings support an equivalent factor structure on the PedsQL 4.0 Generic Core Scales over time. Based on these data, it can be concluded that over a one-year period children in our study interpreted items on the PedsQL 4.0 Generic Core Scales in a similar manner.

Morphology and electronic structure of the oxide shell on the surface of iron nanoparticles.

PubMed

Wang, Chongmin; Baer, Donald R; Amonette, James E; Engelhard, Mark H; Antony, Jiji; Qiang, You

2009-07-01

An iron (Fe) nanoparticle exposed to air at room temperature will be instantly covered by an oxide shell that is typically approximately 3 nm thick. The nature of this native oxide shell, in combination with the underlying Fe(0) core, determines the physical and chemical behavior of the core-shell nanoparticle. One of the challenges of characterizing core-shell nanoparticles is determining the structure of the oxide shell, that is, whether it is FeO, Fe(3)O(4), gamma-Fe(2)O(3), alpha-Fe(2)O(3), or something else. The results of prior characterization efforts, which have mostly used X-ray diffraction and spectroscopy, electron diffraction, and transmission electron microscopic imaging, have been framed in terms of one of the known Fe-oxide structures, although it is not necessarily true that the thin layer of Fe oxide is a known Fe oxide. In this Article, we probe the structure of the oxide shell on Fe nanoparticles using electron energy loss spectroscopy (EELS) at the oxygen (O) K-edge with a spatial resolution of several nanometers (i.e., less than that of an individual particle). We studied two types of representative particles: small particles that are fully oxidized (no Fe(0) core) and larger core-shell particles that possess an Fe core. We found that O K-edge spectra collected for the oxide shell in nanoparticles show distinct differences from those of known Fe oxides. Typically, the prepeak of the spectra collected on both the core-shell and the fully oxidized particles is weaker than that collected on standard Fe(3)O(4). Given the fact that the origin of this prepeak corresponds to the transition of the O 1s electron to the unoccupied state of O 2p hybridized with Fe 3d, a weak pre-edge peak indicates a combination of the following four factors: a higher degree of occupancy of the Fe 3d orbital; a longer Fe-O bond length; a decreased covalency of the Fe-O bond; and a measure of cation vacancies. These results suggest that the coordination configuration in the oxide shell on Fe nanoparticles is defective as compared to that of their bulk counterparts. Implications of these defective structural characteristics on the properties of core-shell structured iron nanoparticles are discussed.

The impact of p53 protein core domain structural alteration on ovarian cancer survival.

PubMed

Rose, Stephen L; Robertson, Andrew D; Goodheart, Michael J; Smith, Brian J; DeYoung, Barry R; Buller, Richard E

2003-09-15

Although survival with a p53 missense mutation is highly variable, p53-null mutation is an independent adverse prognostic factor for advanced stage ovarian cancer. By evaluating ovarian cancer survival based upon a structure function analysis of the p53 protein, we tested the hypothesis that not all missense mutations are equivalent. The p53 gene was sequenced from 267 consecutive ovarian cancers. The effect of individual missense mutations on p53 structure was analyzed using the International Agency for Research on Cancer p53 Mutational Database, which specifies the effects of p53 mutations on p53 core domain structure. Mutations in the p53 core domain were classified as either explained or not explained in structural or functional terms by their predicted effects on protein folding, protein-DNA contacts, or mutation in highly conserved residues. Null mutations were classified by their mechanism of origin. Mutations were sequenced from 125 tumors. Effects of 62 of the 82 missense mutations (76%) could be explained by alterations in the p53 protein. Twenty-three (28%) of the explained mutations occurred in highly conserved regions of the p53 core protein. Twenty-two nonsense point mutations and 21 frameshift null mutations were sequenced. Survival was independent of missense mutation type and mechanism of null mutation. The hypothesis that not all missense mutations are equivalent is, therefore, rejected. Furthermore, p53 core domain structural alteration secondary to missense point mutation is not functionally equivalent to a p53-null mutation. The poor prognosis associated with p53-null mutation is independent of the mutation mechanism.

Controlled Formation of Radial Core-Shell Si/Metal Silicide Crystalline Heterostructures.

PubMed

Kosloff, Alon; Granot, Eran; Barkay, Zahava; Patolsky, Fernando

2018-01-10

The highly controlled formation of "radial" silicon/NiSi  core-shell nanowire heterostructures has been demonstrated for the first time. Here, we investigated the "radial" diffusion of nickel atoms into crystalline nanoscale silicon pillar 11 cores, followed by nickel silicide phase formation and the creation of a well-defined shell structure. The described approach is based on a two-step thermal process, which involves metal diffusion at low temperatures in the range of 200-400 °C, followed by a thermal curing step at a higher temperature of 400 °C. In-depth crystallographic analysis was performed by nanosectioning the resulting silicide-shelled silicon nanopillar heterostructures, giving us the ability to study in detail the newly formed silicide shells. Remarkably, it was observed that the resulting silicide shell thickness has a self-limiting behavior, and can be tightly controlled by the modulation of the initial diffusion-step temperature. In addition, electrical measurements of the core-shell structures revealed that the resulting shells can serve as an embedded conductive layer in future optoelectronic applications. This research provides a broad insight into the Ni silicide "radial" diffusion process at the nanoscale regime, and offers a simple approach to form thickness-controlled metal silicide shells in the range of 5-100 nm around semiconductor nanowire core structures, regardless the diameter of the nanowire cores. These high quality Si/NiSi core-shell nanowire structures will be applied in the near future as building blocks for the creation of utrathin highly conductive optically transparent top electrodes, over vertical nanopillars-based solar cell devices, which may subsequently lead to significant performance improvements of these devices in terms of charge collection and reduced recombination.

Detection of the elite structure in a virtual multiplex social system by means of a generalised K-core.

PubMed

Corominas-Murtra, Bernat; Fuchs, Benedikt; Thurner, Stefan

2014-01-01

Elites are subgroups of individuals within a society that have the ability and means to influence, lead, govern, and shape societies. Members of elites are often well connected individuals, which enables them to impose their influence to many and to quickly gather, process, and spread information. Here we argue that elites are not only composed of highly connected individuals, but also of intermediaries connecting hubs to form a cohesive and structured elite-subgroup at the core of a social network. For this purpose we present a generalization of the K-core algorithm that allows to identify a social core that is composed of well-connected hubs together with their 'connectors'. We show the validity of the idea in the framework of a virtual world defined by a massive multiplayer online game, on which we have complete information of various social networks. Exploiting this multiplex structure, we find that the hubs of the generalised K-core identify those individuals that are high social performers in terms of a series of indicators that are available in the game. In addition, using a combined strategy which involves the generalised Kcore and the recently introduced M-core, the elites of the different 'nations' present in the game are perfectly identified as modules of the generalised K-core. Interesting sudden shifts in the composition of the elite cores are observed at deep levels. We show that elite detection with the traditional K-core is not possible in a reliable way. The proposed method might be useful in a series of more general applications, such as community detection.

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Gierlotka, S.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H.-P.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple model of a nanocrystal with spherical shape and centro-symmetric strain at the surface shell we obtain theoretical alp-Q values which match very well the alp-Q plots determined experimentally for Sic, GaN, and diamond nanopowders. The theoretical models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the surface shell. According to our calculations, the part of the diffraction pattern measured at relatively low diffraction vectors Q (below 10/angstrom) provides information on the surface strain, whle determination of the lattice parameters in the grain core requires measurements at large Q-values (above 15 - 20/angstrom).

Construct and Predictive Validity of the Core Phonics Survey: A Diagnostic Assessment for Students with Specific Learning Disabilities

ERIC Educational Resources Information Center

Park, Yujeong; Benedict, Amber E.; Brownell, Mary T.

2014-01-01

The factor structure of the CORE Phonics Survey was analyzed using a sample of 165 students in upper elementary school with specific learning disabilities. Confirmatory factor analysis was used to identify the hypothesized constructs of the CORE Phonics Survey and predictive validity of the CORE Phonics Survey to predict students' success in word…

Core-Sheath Paraffin-Wax-Loaded Nanofibers by Electrospinning for Heat Storage.

PubMed

Lu, Yuan; Xiao, Xiudi; Zhan, Yongjun; Huan, Changmeng; Qi, Shuai; Cheng, Haoliang; Xu, Gang

2018-04-18

Paraffin wax (PW) is widely used for smart thermoregulation materials due to its good thermal performance. However, the leakage and low thermal conductivity of PW hinder its application in the heat storage field. Accordingly, developing effective methods to address these issues is of great importance. In this study, we explored a facile approach to obtain PW-loaded core-sheath structured flexible nanofibers films via coaxial electrospinning technique. The PW as the core layer was successfully encapsulated by the sheath-layer poly(methyl methacrylate). The diameter of the fiber core increased from 395 to 848 nm as the core solution speed rate increased from 0.1 to 0.5 mL/h. In addition, it can be seen that higher core solution speed rate could lead to higher PW encapsulation efficiency according to the transmission electron microscopy results. The core-sheath nanofiber films, moreover, possessed the highest latent heat of 58.25 J/g and solidifying enthalpy of -56.49 J/g. In addition, we found that after 200 thermal cycles, there was little change in latent heat, which demonstrated that it is beneficial for the PW-loaded core-sheath structure to overcome the leakage issue and enhance thermal stability properties for the thermoregulation film.

Synthesis and optical properties of core-multi-shell CdSe/CdS/ZnS quantum dots: Surface modifications

NASA Astrophysics Data System (ADS)

Ratnesh, R. K.; Mehata, Mohan Singh

2017-02-01

We report two port synthesis of CdSe/CdS/ZnS core-multi-shell quantum dots (Q-dots) and their structural properties. The multi-shell structures of Q-dots were developed by using successive ionic layer adsorption and reaction (SILAR) technique. The obtained Q-dots show high crystallinity with the step-wise adjustment of lattice parameters in the radial direction. The size of the core and core-shell Q-dots estimated by transmission electron microscopy images and absorption spectra is about 3.4 and 5.3 nm, respectively. The water soluble Q-dots (scheme-1) were prepared by using ligand exchange method, and the effect of pH was discussed regarding the variation of quantum yield (QY). The decrease of a lifetime of core-multi-shell Q-dots with respect to core CdSe indicates that the shell growth may be tuned by the lifetimes. Thus, the study clearly demonstrates that the core-shell approach can be used to substantially improve the optical properties of Q-dots desired for various applications.

Degradation of Si/Ge core/shell nanowire heterostructures during lithiation and delithiation at 0.8 and 20 A g-1.

PubMed

Kim, Dongheun; Li, Nan; Sheehan, Chris J; Yoo, Jinkyoung

2018-04-26

Si/Ge core/shell nanowire heterostructures have been expected to provide high energy and power densities for lithium ion battery anodes due to the large capacity of Si and the high electrical and ionic conductivities of Ge. Although the battery anode performances of Si/Ge core/shell nanowire heterostructures have been characterized, the degradation of Si/Ge core/shell nanowire heterostructures has not been thoroughly investigated. Here we report the compositional and structural changes of the Si/Ge core/shell nanowire heterostructure over cycling of lithiation and delithiation at different charging rates. The Si/Ge core/shell nanowire heterostructure holds the core and shell structure at a charging rate of 0.8 A g-1 up to 50 cycles. On the other hand, compositional intermixing and loss of Si occur at a charging rate of 20 A g-1 within 50 cycles. The operation condition-dependent degradation provides a new aspect of materials research for the development of high performance lithium ion battery anodes with a long cycle life.

Cool Core Disruption in Abell 1763

NASA Astrophysics Data System (ADS)

Douglass, Edmund; Blanton, Elizabeth L.; Clarke, Tracy E.; Randall, Scott W.; Edwards, Louise O. V.; Sabry, Ziad

2017-01-01

We present the analysis of a 20 ksec Chandra archival observation of the massive galaxy cluster Abell 1763. A model-subtracted image highlighting excess cluster emission reveals a large spiral structure winding outward from the core to a radius of ~950 kpc. We measure the gas of the inner spiral to have significantly lower entropy than non-spiral regions at the same radius. This is consistent with the structure resulting from merger-induced motion of the cluster’s cool core, a phenomenon seen in many systems. Atypical of spiral-hosting clusters, an intact cool core is not detected. Its absence suggests the system has experienced significant disruption since the initial dynamical encounter that set the sloshing core in motion. Along the major axis of the elongated ICM distribution we detect thermal features consistent with the merger event most likely responsible for cool core disruption. The merger-induced transition towards non-cool core status will be discussed. The interaction between the powerful (P1.4 ~ 1026 W Hz-1) cluster-center WAT radio source and its ICM environment will also be discussed.

Casting core for a cooling arrangement for a gas turbine component

DOEpatents

Lee, Ching-Pang; Heneveld, Benjamin E

2015-01-20

A ceramic casting core, including: a plurality of rows (162, 166, 168) of gaps (164), each gap (164) defining an airfoil shape; interstitial core material (172) that defines and separates adjacent gaps (164) in each row (162, 166, 168); and connecting core material (178) that connects adjacent rows (170, 174, 176) of interstitial core material (172). Ends of interstitial core material (172) in one row (170, 174, 176) align with ends of interstitial core material (172) in an adjacent row (170, 174, 176) to form a plurality of continuous and serpentine shaped structures each including interstitial core material (172) from at least two adjacent rows (170, 174, 176) and connecting core material (178).

Design, synthesis and applications of core-shell, hollow core, and nanorattle multifunctional nanostructures.

PubMed

El-Toni, Ahmed Mohamed; Habila, Mohamed A; Labis, Joselito Puzon; ALOthman, Zeid A; Alhoshan, Mansour; Elzatahry, Ahmed A; Zhang, Fan

2016-02-07

With the evolution of nanoscience and nanotechnology, studies have been focused on manipulating nanoparticle properties through the control of their size, composition, and morphology. As nanomaterial research has progressed, the foremost focus has gradually shifted from synthesis, morphology control, and characterization of properties to the investigation of function and the utility of integrating these materials and chemical sciences with the physical, biological, and medical fields, which therefore necessitates the development of novel materials that are capable of performing multiple tasks and functions. The construction of multifunctional nanomaterials that integrate two or more functions into a single geometry has been achieved through the surface-coating technique, which created a new class of substances designated as core-shell nanoparticles. Core-shell materials have growing and expanding applications due to the multifunctionality that is achieved through the formation of multiple shells as well as the manipulation of core/shell materials. Moreover, core removal from core-shell-based structures offers excellent opportunities to construct multifunctional hollow core architectures that possess huge storage capacities, low densities, and tunable optical properties. Furthermore, the fabrication of nanomaterials that have the combined properties of a core-shell structure with that of a hollow one has resulted in the creation of a new and important class of substances, known as the rattle core-shell nanoparticles, or nanorattles. The design strategies of these new multifunctional nanostructures (core-shell, hollow core, and nanorattle) are discussed in the first part of this review. In the second part, different synthesis and fabrication approaches for multifunctional core-shell, hollow core-shell and rattle core-shell architectures are highlighted. Finally, in the last part of the article, the versatile and diverse applications of these nanoarchitectures in catalysis, energy storage, sensing, and biomedicine are presented.

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

PubMed Central

Fratanduono, Dayne E.; Coppari, Federica; Newman, Matthew G.; Duffy, Thomas S.

2018-01-01

The high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as 10 times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ x-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-Si alloy with 7 weight % (wt %) Si adopts the hexagonal close-packed structure over the measured pressure range, whereas Fe-15wt%Si is observed in a body-centered cubic structure. This study represents the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3–Earth mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for these planets. PMID:29707632

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

DOE PAGES

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.; ...

2018-04-25

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

Crystal structure and equation of state of Fe-Si alloys at super-Earth core conditions

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

Wicks, June K.; Smith, Raymond F.; Fratanduono, Dayne E.

In this paper, the high-pressure behavior of Fe alloys governs the interior structure and dynamics of super-Earths, rocky extrasolar planets that could be as much as ten times more massive than Earth. In experiments reaching up to 1300 GPa, we combine laser-driven dynamic ramp compression with in situ X-ray diffraction to study the effect of composition on the crystal structure and density of Fe-Si alloys, a potential constituent of super-Earth cores. We find that Fe-7wt.%Si adopts the hexagonal close packed (hcp) structure over the measured pressure range, whereas Fe-15wt.%Si is observed in a body-centered cubic (bcc) structure. This study representsmore » the first experimental determination of the density and crystal structure of Fe-Si alloys at pressures corresponding to the center of a ~3 Earth-mass terrestrial planet. Our results allow for direct determination of the effects of light elements on core radius, density, and pressures for such planets.« less

Phase relations of Fe-Si-Ni alloys at core conditions: Implications for the Earth inner core

NASA Astrophysics Data System (ADS)

Fiquet, G.; Boulard, E.; Auzende, A.; Antonangeli, D.; Badro, J.; Morard, G.; Siebert, J.; Perrillat, J.; Mezouar, M.

2008-12-01

The Earth core consists of a liquid outer core and a solid inner core, which are believed to be made predominantly of iron (Fe). Among all crystallographic structures proposed, a consensus has more or less emerged with the hexagonal closed packed structure -hcp- for iron. The question of the structure of this alloy at core conditions, in particular in vicinity of the melting line is however still largely debated. Among others, a possible thermal and chemical stabilization of body-centered cubic iron in the Earth's core has indeed been proposed with the theoretical calculations of Vocadlo et al. [Nature, 424, 536, 2003]. Recent X-ray experiments have shown the existence of such a bcc structure above 220 GPa at high-temperature for iron- nickel alloys [Dubrovinsky et al., Science, 316, 1880, 2007]. It is also known from density systematics that the Earth's core is made of iron alloyed with light elements [see Poirier, Phys. Earth Planet. Int., 85, 319, 1994]. We recently proposed a compositional model for the Earth's inner core from a systematic study of the effect of light elements on sound velocities at high pressure. Our preferred core model is an inner core which contains 2.3 wt % silicon and traces of oxygen [see Badro et al., Earth Planet. Sci. Lett., 254, 233, 2007 for more details]. Recent studies, however, suggest that small amount of silicon or nickel can substantially affect the phase relations and thermodynamic properties of iron alloys. We present results from an X-ray diffraction carried out at ESRF at high-pressure and high-temperature, using a state-of-the-art double sided laser heating system. We address the question of the structure of this alloy at core conditions. Two different alloys have been synthesized for this experiment, with Fe : 92.4, Si : 3.7, Ni 3.9 and Fe: 88.4, Si: 7.3, Ni: 4.3 in wt %, so as to satisfy the core preferred compositional model described in Badro et al. [2007]. The samples were loaded in a diamond anvil cell with neon as pressure transmitting medium transmitting medium, and subsequently analyzed by diffraction collected on a CCD detector during laser-heating at pressure. Experiments were carried out between 20 and 200 GPa, and 1500-5000 K. Our results show an increase of the pressure transition from bcc to hcp with increasing silicon content, with much more precise pressure transitions than previously published. X-ray diffraction pattern contain fcc or hcp at high-temperature and high-pressure conditions. If an expansion of the fcc stability field is observed with increasing silicon and/or nickel content, our observations show a wide stability of hcp-iron alloys up to 200 GPa and high-temperature. These results are discussed in the light of recent experimental and theoretical investigations.

The Global Precipitation Measurement (GPM) Project

NASA Technical Reports Server (NTRS)

Azarbarazin, Ardeshir Art; Carlisle, Candace C.

2008-01-01

The GIobd Precipitation hleasurement (GPM) mission is an international cooperatiee ffort to advance weather, climate, and hydrological predictions through space-based precipitation measurements. The Core Observatory will be a reference standard to uniform11 calibrate data from a constellatism of spacecraft with passive microuave sensors. GP3l mission data will be used for scientific research as well as societal applications. GPM is being developed under a partnership between the United States (US) National .Aeronautics and Space Administration (XASA) and the Japanese Aerospace and Exploration Agency (JAYA). NASA is developing the Core Observatory, a Low-Inclination Constellation Observatory, two GPM Rlicrowave Imager (GXII) instruments. Ground Validation System and Precipitation Processing System for the GPRl mission. JAXA will provide a Dual-frequency Precipitation Radar (DPR) for installation on the Core satellite and launch services for the Core Observatory. Other US agencies and international partners contribute to the GPkf mission by providing precipitation measurements obtained from their own spacecraft and,'or providing ground-based precipitation measurements to support ground validation activities. The GPM Core Observatory will be placed in a low earth orbit (-400 krn) with 65-degree inclination, in order to calibrate partner instruments in a variety of orbits. The Core Observatory accommodates 3 instruments. The GkfI instrument provides measurements of precipitation intensity and distribution. The DPR consists of Ka and Ku band instruments, and provides threedimensional measurements of cloud structure, precipitation particle size distribution and precipitation intensitj and distribution. The instruments are key drivers for GPM Core Observatory overall size (1 1.6m x 6.5m x 5.0m) and mass (3500kg), as well as the significant (-1 950U.3 power requirement. The Core Spacecraft is being built in-house at Goddard Space Flight Center. The spacecraft structure consists of an aluminum lower bus structure. composite upper bus structure, '-axis steerable High Gain Antenna System on a dual-hinged boom, and two deploy able solar arraq s. The propulsion system features twelve thrusters and a single Composite OverlvapP ressure Vessel tank. The GPhl Core spacecraft is one of the first large spacecraft developed to be demiseable (i.e. burn up upon atmospheric reentry j. The spacecraft dernissable components-- structure. propulsion tank, lithium-ion battery, sotar array md reaction wheels. are a unique fcature.

Radiographic analysis of sedimentary structures and depositional histories in Apollo 15 cores

NASA Technical Reports Server (NTRS)

Coch, N. K.

1977-01-01

Radiographs of the Apollo 15 deepdrill drive tubes were analyzed on an SDS electronic enhancer to determine sedimentary structures in the core samples. The data obtained were compared with all other Apollo mission radiographs and used to make inferences on the character of sedimentary depositional processes on the lunar surface.

An Application of Structural Equation Modeling for Developing Good Teaching Characteristics Ontology

ERIC Educational Resources Information Center

Phiakoksong, Somjin; Niwattanakul, Suphakit; Angskun, Thara

2013-01-01

Ontology is a knowledge representation technique which aims to make knowledge explicit by defining the core concepts and their relationships. The Structural Equation Modeling (SEM) is a statistical technique which aims to explore the core factors from empirical data and estimates the relationship between these factors. This article presents an…

Anode materials for lithium-ion batteries

DOEpatents

Sunkara, Mahendra Kumar; Meduri, Praveen; Sumanasekera, Gamini

2014-12-30

An anode material for lithium-ion batteries is provided that comprises an elongated core structure capable of forming an alloy with lithium; and a plurality of nanostructures placed on a surface of the core structure, with each nanostructure being capable of forming an alloy with lithium and spaced at a predetermined distance from adjacent nanostructures.

High ink absorption performance of inkjet printing based on SiO2@Al13 core-shell composites

NASA Astrophysics Data System (ADS)

Chen, YiFan; Jiang, Bo; Liu, Li; Du, Yunzhe; Zhang, Tong; Zhao, LiWei; Huang, YuDong

2018-04-01

The increasing growth of the inkjet market makes the inkjet printing more necessary. A composite material based on core-shell structure has been developed and applied to prepare inkjet printing layer. In this contribution, the ink printing record layers based on SiO2@Al13 core-shell composite was elaborated. The prepared core-shell composite materials were characterized by X-ray photoelectron spectroscopy (XPS), zeta potential, X-ray diffraction (XRD), scanning electron microscopy (SEM). The results proved the presence of electrostatic adsorption between SiO2 molecules and Al13 molecules with the formation of the well-dispersed system. In addition, based on the adsorption and the liquid permeability analysis, SiO2@Al13 ink printing record layer achieved a relatively high ink uptake (2.5 gmm-1) and permeability (87%), respectively. The smoothness and glossiness of SiO2@Al13 record layers were higher than SiO2 record layers. The core-shell structure facilitated the dispersion of the silica, thereby improved its ink absorption performance and made the clear printed image. Thus, the proposed procedure based on SiO2@Al13 core-shell structure of dye particles could be applied as a promising strategy for inkjet printing.

Structural and magnetic properties of multi-core nanoparticles analysed using a generalised numerical inversion method

PubMed Central

Bender, P.; Bogart, L. K.; Posth, O.; Szczerba, W.; Rogers, S. E.; Castro, A.; Nilsson, L.; Zeng, L. J.; Sugunan, A.; Sommertune, J.; Fornara, A.; González-Alonso, D.; Barquín, L. Fernández; Johansson, C.

2017-01-01

The structural and magnetic properties of magnetic multi-core particles were determined by numerical inversion of small angle scattering and isothermal magnetisation data. The investigated particles consist of iron oxide nanoparticle cores (9 nm) embedded in poly(styrene) spheres (160 nm). A thorough physical characterisation of the particles included transmission electron microscopy, X-ray diffraction and asymmetrical flow field-flow fractionation. Their structure was ultimately disclosed by an indirect Fourier transform of static light scattering, small angle X-ray scattering and small angle neutron scattering data of the colloidal dispersion. The extracted pair distance distribution functions clearly indicated that the cores were mostly accumulated in the outer surface layers of the poly(styrene) spheres. To investigate the magnetic properties, the isothermal magnetisation curves of the multi-core particles (immobilised and dispersed in water) were analysed. The study stands out by applying the same numerical approach to extract the apparent moment distributions of the particles as for the indirect Fourier transform. It could be shown that the main peak of the apparent moment distributions correlated to the expected intrinsic moment distribution of the cores. Additional peaks were observed which signaled deviations of the isothermal magnetisation behavior from the non-interacting case, indicating weak dipolar interactions. PMID:28397851

“Skin-Core-Skin” Structure of Polymer Crystallization Investigated by Multiscale Simulation

PubMed Central

Ruan, Chunlei

2018-01-01

“Skin-core-skin” structure is a typical crystal morphology in injection products. Previous numerical works have rarely focused on crystal evolution; rather, they have mostly been based on the prediction of temperature distribution or crystallization kinetics. The aim of this work was to achieve the “skin-core-skin” structure and investigate the role of external flow and temperature fields on crystal morphology. Therefore, the multiscale algorithm was extended to the simulation of polymer crystallization in a pipe flow. The multiscale algorithm contains two parts: a collocated finite volume method at the macroscopic level and a morphological Monte Carlo method at the microscopic level. The SIMPLE (semi-implicit method for pressure linked equations) algorithm was used to calculate the polymeric model at the macroscopic level, while the Monte Carlo method with stochastic birth-growth process of spherulites and shish-kebabs was used at the microscopic level. Results show that our algorithm is valid to predict “skin-core-skin” structure, and the initial melt temperature and the maximum velocity of melt at the inlet mainly affects the morphology of shish-kebabs. PMID:29659516

The construction, characterization, Hg(II)-sensing and removal behavior of magnetic core-shell nanospheres loaded with fluorescence "Off-On" probe

NASA Astrophysics Data System (ADS)

Tan, Jun; Wei, Xiaoyan; Chen, Jie; Sun, Ping; Ouyang, Yuxia; Fan, Juhong; Liu, Rui

2014-12-01

The present paper constructed and discussed core-shell structured nanospheres grafted with rhodamine based probe for Hg(II) sensing and removal. Electron microscopy images, XRD curves, thermogravimetric analysis and N2 adsorption/desorption isotherms were used to identify the core-shell structure. The inner core consisted of superparamagnetic Fe3O4 nanoparticles, which made the nanocomposite magnetically removable. The outer shell was constructed with silica molecular sieve which provided large surface area and ordered tunnels for the sensing probe, accelerating analyte adsorption and transportation. The rhodamine based sensing probe emission increased with the increasing Hg(II) concentration, showing emission "Off-On" effect, which could be explained by the structural transformation from a non-emissive one to a highly emissive one. The influence from various metal ions and pH values was also investigated, which suggested this structural transformation could only be triggered by Hg(II), showing high selectivity and linear response. The Hg(II) sensing nanocomposite could be regenerated after usage. The response time was slightly compromised and could be further improved.

CT Scans of Cores Metadata, Barrow, Alaska 2015

DOE Data Explorer

Katie McKnight; Tim Kneafsey; Craig Ulrich

2015-03-11

Individual ice cores were collected from Barrow Environmental Observatory in Barrow, Alaska, throughout 2013 and 2014. Cores were drilled along different transects to sample polygonal features (i.e. the trough, center and rim of high, transitional and low center polygons). Most cores were drilled around 1 meter in depth and a few deep cores were drilled around 3 meters in depth. Three-dimensional images of the frozen cores were constructed using a medical X-ray computed tomography (CT) scanner. TIFF files can be uploaded to ImageJ (an open-source imaging software) to examine soil structure and densities within each core.

Anomalously strong observations of PKiKP/PcP amplitude ratios on a global scale

NASA Astrophysics Data System (ADS)

Waszek, Lauren; Deuss, Arwen

2015-07-01

The inner core boundary marks the phase transition between the solid inner core and the fluid outer core. As the site of inner core solidification, the boundary provides insight into the processes generating the seismic structures of the inner core. In particular, it may hold the key to understanding the previously observed hemispherical asymmetry in inner core seismic velocity, anisotropy, and attenuation. Here we use a large PKiKP-PcP amplitude ratio and travel time residual data set to investigate velocity and density contrast properties near the inner core boundary. Although hemispherical structure at the boundary has been proposed by previous inner core studies, we find no evidence for hemispheres in the amplitude ratios or travel time residuals. In addition, we find that the amplitude ratios are much larger than can be explained by variations in density contrast at the inner core boundary or core-mantle boundary. This indicates that PKiKP is primarily observed when it is anomalously large, due to focusing along its raypath. Using data in which PKiKP is not detected above the noise level, we calculate an upper estimate for the inner core boundary (ICB) density contrast of 1.2 kg m-3. The travel time residuals display large regional variations, which differ on long and short length scales. These regions may be explained by large-scale velocity variations in the F layer just above the inner core boundary, and/or small-scale topography of varying magnitude on the ICB, which also causes the large amplitudes. Such differences could arise from localized freezing and melting of the inner core.

Shear properties evaluation of a truss core of sandwich beams

NASA Astrophysics Data System (ADS)

Wesolowski, M.; Ludewicz, J.; Domski, J.; Zakrzewski, M.

2017-10-01

The open-cell cores of sandwich structures are locally bonded to the face layers by means of adhesive resin. The sandwich structures composed of different parent materials such as carbon fibre composites (laminated face layers) and metallic core (aluminium truss core) brings the need to closely analyse their adhesive connections which strength is dominated by the shear stress. The presented work considers sandwich beams subjected to the static tests in the 3-point bending with the purpose of estimation of shear properties of the truss core. The main concern is dedicated to the out-of plane shear modulus and ultimate shear stress of the aluminium truss core. The loading of the beam is provided by a static machine. For the all beams the force - deflection history is extracted by means of non-contact optical deflection measurement using PONTOS system. The mode of failure is identified for each beam with the corresponding applied force. A flexural rigidity of the sandwich beams is also discussed based on force - displacement plots.

Nano-engineering of three-dimensional core/shell nanotube arrays for high performance supercapacitors

NASA Astrophysics Data System (ADS)

Grote, Fabian; Wen, Liaoyong; Lei, Yong

2014-06-01

Large-scale arrays of core/shell nanostructures are highly desirable to enhance the performance of supercapacitors. Here we demonstrate an innovative template-based fabrication technique with high structural controllability, which is capable of synthesizing well-ordered three-dimensional arrays of SnO2/MnO2 core/shell nanotubes for electrochemical energy storage in supercapacitor applications. The SnO2 core is fabricated by atomic layer deposition and provides a highly electrical conductive matrix. Subsequently a thin MnO2 shell is coated by electrochemical deposition onto the SnO2 core, which guarantees a short ion diffusion length within the shell. The core/shell structure shows an excellent electrochemical performance with a high specific capacitance of 910 F g-1 at 1 A g-1 and a good rate capability of remaining 217 F g-1 at 50 A g-1. These results shall pave the way to realize aqueous based asymmetric supercapacitors with high specific power and high specific energy.

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-01

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO2-C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO2/MnO2-C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g-1 at 2.5 A g-1), excellent rate properties (735 F g-1 at 30 A g-1) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

Reconstruction of TiO2/MnO2-C nanotube/nanoflake core/shell arrays as high-performance supercapacitor electrodes.

PubMed

Xiong, Qinqin; Zheng, Cun; Chi, Hongzhong; Zhang, Jun; Ji, Zhenguo

2017-02-03

Construction of electrodes with fast reaction kinetics is of great importance for achieving advanced supercapacitors. Herein we report a facile combined synthetic strategy with atomic layer deposition (ALD) and electrodeposition to rationally fabricate nanotube/nanoflake core/shell arrays. ALD-TiO 2 nanotubes are used as the skeleton core for assembly of electrodeposited MnO 2 -C nanoflake shells forming a core/shell structure. Highly porous architecture and good electrical conductivity are combined in this unique core/shell structure, resulting in fast ion/electron transfer. In tests of electrochemical performance, the TiO 2 /MnO 2 -C core/shell arrays are characterized as cathode for asymmetric supecapacitors and exhibit high specific capacitance (880 F g -1 at 2.5 A g -1 ), excellent rate properties (735 F g -1 at 30 A g -1 ) and good long-term cycling stability (94.3% capacitance retention after 20 000 cycles). The proposed electrode construction strategy is favorable for fabrication of other advanced supercapacitor electrodes.

Structural and electronic properties of CdS/ZnS core/shell nanowires: A first-principles study

NASA Astrophysics Data System (ADS)

Kim, Hyo Seok; Kim, Yong-Hoon

2015-03-01

Carrying out density functional theory (DFT) calculation, we studied the relative effects of quantum confinement and strain on the electronic structures of II-IV semiconductor compounds with a large lattice-mismatch, CdS and ZnS, in the core/shell nanowire geometry. We considered different core radii and shell thickness of the CdS/ZnS core/shell nanowire, different surface facets, and various defects in the core/shell interface and surface regions. To properly describe the band level alignment at the core/shell boundary, we adopted the self-interaction correction (SIC)-DFT scheme. Implications of our findings in the context of device applications will be also discussed. This work was supported by the Basic Science Research Grant (No. 2012R1A1A2044793), Global Frontier Program (No. 2013-073298), and Nano-Material Technology Development Program (2012M3A7B4049888) of the National Research Foundation funded by the Ministry of Education, Science and Technology of Korea. Corresponding author

Maturation of the Gag core decreases the stability of retroviral lipid membranes.

PubMed

Davidoff, Candice; Payne, Riley J; Willis, Sharon H; Doranz, Benjamin J; Rucker, Joseph B

2012-11-25

To better understand how detergents disrupt enveloped viruses, we monitored the biophysical stability of murine leukemia virus (MLV) virus-like particles (VLPs) against a panel of commonly used detergents using real-time biosensor measurements. Although exposure to many detergents, such as Triton X-100 and Empigen, results in lysis of VLP membranes, VLPs appeared resistant to complete membrane lysis by a significant number of detergents, including Tween 20, Tween 80, Lubrol, and Saponin. VLPs maintained their structural integrity after exposure to Tween 20 at concentrations up to 500-fold above its CMC. Remarkably, VLPs containing immature cores composed of unprocessed (uncleaved) Gag polyprotein were significantly more resistant to detergent lysis than VLPs with mature cores. Although the maturity of retroviral Gag is known to influence the stability of the protein core structure itself, our studies suggest that the maturity of the Gag core also influences the stability of the lipid bilayer surrounding the core. Copyright © 2012 Elsevier Inc. All rights reserved.

Maturation of the Gag core decreases the stability of retroviral lipid membranes

PubMed Central

Davidoff, Candice; Payne, Riley; Willis, Sharon H.; Doranz, Benjamin J.; Rucker, Joseph B.

2012-01-01

To better understand how detergents disrupt enveloped viruses, we monitored the biophysical stability of murine leukemia virus (MLV) virus-like particles (VLPs) against a panel of commonly used detergents using real-time biosensor measurements. Although exposure to many detergents, such as Triton X-100 and Empigen, results in lysis of VLP membranes, VLPs appeared resistant to complete membrane lysis by a significant number of detergents, including Tween 20, Tween 80, Lubrol, and Saponin. VLPs maintained their structural integrity after exposure to Tween 20 at concentrations up to 500-fold above its CMC. Remarkably, VLPs containing immature cores composed of unprocessed (uncleaved) Gag polyprotein were significantly more resistant to detergent lysis than VLPs with mature cores. Although the maturity of retroviral Gag is known to influence the stability of the protein core structure itself, our studies suggest that the maturity of the Gag core also influences the stability of the lipid bilayer surrounding the core. PMID:22995186

Hanging core support system for a nuclear reactor

DOEpatents

Burelbach, James P.; Kann, William J.; Pan, Yen-Cheng; Saiveau, James G.; Seidensticker, Ralph W.

1987-01-01

For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform. Motion or radiation sensing detectors can be provide at the lower ends of the tension rods for obtaining pertinent readings proximate the core.

Fabrication of Fe3O4@CuO core-shell from MOF based materials and its antibacterial activity

NASA Astrophysics Data System (ADS)

Rajabi, S. K.; Sohrabnezhad, Sh.; Ghafourian, S.

2016-12-01

Magnetic Fe3O4@CuO nanocomposite with a core/shell structure was successfully synthesized via direct calcinations of magnetic Fe3O4@HKUST-1 in air atmosphere. The morphology, structure, magnetic and porous properties of the as-synthesized nano composites were characterized by using scanning electron microscope (SEM), transmission electron microscopy (TEM), powder X-ray diffraction (PXRD), and vibration sample magnetometer (VSM). The results showed that the nanocomposite material included a Fe3O4 core and a CuO shell. The Fe3O4@CuO core-shell can be separated easily from the medium by a small magnet. The antibacterial activity of Fe3O4-CuO core-shell was investigated against gram-positive and gram-negative bacteria. A new mechanism was proposed for inactivation of bacteria over the prepared sample. It was demonstrated that the core-shell exhibit recyclable antibacterial activity, acting as an ideal long-acting antibacterial agent.

Conservation and Accessibility of an Inner Core Lipopolysaccharide Epitope of Neisseria meningitidis

PubMed Central

Plested, Joyce S.; Makepeace, Katherine; Jennings, Michael P.; Gidney, Margaret Anne J.; Lacelle, Suzanne; Brisson, J.-R.; Cox, Andrew D.; Martin, Adele; Bird, A. Graham; Tang, Christoph M.; Mackinnon, Fiona M.; Richards, James C.; Moxon, E. Richard

1999-01-01

We investigated the conservation and antibody accessibility of inner core epitopes of Neisseria meningitidis lipopolysaccharide (LPS) because of their potential as vaccine candidates. An immunoglobulin G3 murine monoclonal antibody (MAb), designated MAb B5, was obtained by immunizing mice with a galE mutant of N. meningitidis H44/76 (B.15.P1.7,16 immunotype L3). We have shown that MAb B5 can bind to the core LPS of wild-type encapsulated MC58 (B.15.P1.7,16 immunotype L3) organisms in vitro and ex vivo. An inner core structure recognized by MAb B5 is conserved and accessible in 26 of 34 (76%) of group B and 78 of 112 (70%) of groups A, C, W, X, Y, and Z strains. N. meningitidis strains which possess this epitope are immunotypes in which phosphoethanolamine (PEtn) is linked to the 3-position of the β-chain heptose (HepII) of the inner core. In contrast, N. meningitidis strains lacking reactivity with MAb B5 have an alternative core structure in which PEtn is linked to an exocyclic position (i.e., position 6 or 7) of HepII (immunotypes L2, L4, and L6) or is absent (immunotype L5). We conclude that MAb B5 defines one or more of the major inner core glycoforms of N. meningitidis LPS. These findings support the possibility that immunogens capable of eliciting functional antibodies specific to inner core structures could be the basis of a vaccine against invasive infections caused by N. meningitidis. PMID:10496924

Green synthesis of CuInS2/ZnS core-shell quantum dots by facile solvothermal route with enhanced optical properties

NASA Astrophysics Data System (ADS)

Jindal, Shikha; Giripunje, Sushama M.; Kondawar, Subhash B.; Koinkar, Pankaj

2018-03-01

We report an eco-friendly green synthesis of highly luminescent CuInS2/ZnS core-shell quantum dots (QDs) with average particle size ∼ 3.9 nm via solvothermal process. The present study embodies the intensification of CuInS2/ZnS QDs properties by the shell growth on the CuInS2 QDs. The as-prepared CuInS2 core and CuInS2/ZnS core-shell QDs have been characterized using a range of optical and structural techniques. By adopting a low temperature growth of CuInS2 core and high temperature growth of CuInS2/ZnS core-shell growth, the tuning of absorption and photoluminescence emission spectra were observed. Optical absorption and photoluminescence spectroscopy probe the effect of ZnS passivation on the electronic structure of the CuInS2 dots. In addition, QDs have been scrutinized using ultra violet photoelectron spectroscopy (UPS) to explore their electronic band structure. The band level positions of CuInS2 and CuInS2/ZnS QDs suffices the demand of non-toxic acceptor material for electronic devices. The variation in electronic energy levels of CuInS2 core with the coating of wide band gap ZnS shell influence the removal of trap assisted recombination on the surface of the core. QDs exhibited tunable emission from red to orange region. These studies reveal the feasibility of QDs in photovoltaic and light emitting diodes.

Hypervelocity Impact Evaluation of Metal Foam Core Sandwich Structures

NASA Technical Reports Server (NTRS)

Yasensky, John; Christiansen, Eric L.

2007-01-01

A series of hypervelocity impact (HVI) tests were conducted by the NASA Johnson Space Center (JSC) Hypervelocity Impact Technology Facility (HITF) [1], building 267 (Houston, Texas) between January 2003 and December 2005 to test the HVI performance of metal foams, as compared to the metal honeycomb panels currently in service. The HITF testing was conducted at the NASA JSC White Sands Testing Facility (WSTF) at Las Cruces, New Mexico. Eric L. Christiansen, Ph.D., and NASA Lead for Micro-Meteoroid Orbital Debris (MMOD) Protection requested these hypervelocity impact tests as part of shielding research conducted for the JSC Center Director Discretionary Fund (CDDF) project. The structure tested is a metal foam sandwich structure; a metal foam core between two metal facesheets. Aluminum and Titanium metals were tested for foam sandwich and honeycomb sandwich structures. Aluminum honeycomb core material is currently used in Orbiter Vehicle (OV) radiator panels and in other places in space structures. It has many desirable characteristics and performs well by many measures, especially when normalized by density. Aluminum honeycomb does not perform well in Hypervelocity Impact (HVI) Testing. This is a concern, as honeycomb panels are often exposed to space environments, and take on the role of Micrometeoroid / Orbital Debris (MMOD) shielding. Therefore, information on possible replacement core materials which perform adequately in all necessary functions of the material would be useful. In this report, HVI data is gathered for these two core materials in certain configurations and compared to gain understanding of the metal foam HVI performance.

Fragmentation of Massive Dense Cores Down to <~ 1000 AU: Relation between Fragmentation and Density Structure

NASA Astrophysics Data System (ADS)

Palau, Aina; Estalella, Robert; Girart, Josep M.; Fuente, Asunción; Fontani, Francesco; Commerçon, Benoit; Busquet, Gemma; Bontemps, Sylvain; Sánchez-Monge, Álvaro; Zapata, Luis A.; Zhang, Qizhou; Hennebelle, Patrick; di Francesco, James

2014-04-01

In order to shed light on the main physical processes controlling fragmentation of massive dense cores, we present a uniform study of the density structure of 19 massive dense cores, selected to be at similar evolutionary stages, for which their relative fragmentation level was assessed in a previous work. We inferred the density structure of the 19 cores through a simultaneous fit of the radial intensity profiles at 450 and 850 μm (or 1.2 mm in two cases) and the spectral energy distribution, assuming spherical symmetry and that the density and temperature of the cores decrease with radius following power-laws. Even though the estimated fragmentation level is strictly speaking a lower limit, its relative value is significant and several trends could be explored with our data. We find a weak (inverse) trend of fragmentation level and density power-law index, with steeper density profiles tending to show lower fragmentation, and vice versa. In addition, we find a trend of fragmentation increasing with density within a given radius, which arises from a combination of flat density profile and high central density and is consistent with Jeans fragmentation. We considered the effects of rotational-to-gravitational energy ratio, non-thermal velocity dispersion, and turbulence mode on the density structure of the cores, and found that compressive turbulence seems to yield higher central densities. Finally, a possible explanation for the origin of cores with concentrated density profiles, which are the cores showing no fragmentation, could be related with a strong magnetic field, consistent with the outcome of radiation magnetohydrodynamic simulations. The James Clerk Maxwell Telescope is operated by the Joint Astronomy Centre on behalf of the Science and Technology Facilities Council of the United Kingdom, the Netherlands Organisation for Scientific Research, and the National Research Council of Canada.

The mechanics and three-dimensional internal structure of active magmatic systems: Kilauea volcano, Hawaii.

USGS Publications Warehouse

Ryan, M.P.

1988-01-01

Interpretation of abundant seismic data suggest that Kilauea's primary conduit within the upper mantle is concentrically zoned to about 34-km depth. This zoned structure is inferred to contain a central core region of relatively higher permeability, surrounded by numerous dikes that are in intermittent hydraulic communication with each other and with the central core. During periods of relatively high magma transport, the entire cross section of the conduit is utilized. During periods of relatively low to moderate transport, however, only the central core is active.-from Author

Open, Cross Platform Chemistry Application Unifying Structure Manipulation, External Tools, Databases and Visualization

DTIC Science & Technology

2014-05-30

mol.addBond(o1, h2, 1); Avogadro ::Core::Bond b2 = mol.addBond(o1, h3, 1); The QtGui::Molecule class inherits from Core::Molecule and Qt’s QObject...populated as an input (although they are all implemented in terms of the Core::Molecule class. The third is QtGui::RWMolecule which inherits from just...shown in Figure 16. The use of molecule fingerprinting techniques gives the database the ability to be searched by similarity to a desired structure, as

Optimal design for crosstalk analysis in 12-core 5-LP mode homogeneous multicore fiber for different lattice structure

NASA Astrophysics Data System (ADS)

Kumar, Dablu; Ranjan, Rakesh

2018-03-01

12-Core 5-LP mode homogeneous multicore fibers have been proposed for analysis of inter-core crosstalk and dispersion, with four different lattice structures (circular, 2-ring, square lattice, and triangular lattice) having cladding diameter of 200 μm and a fixed cladding thickness of 35 μm. The core-to-core crosstalk impact has been studied numerically with respect to bending radius, core pitch, transmission distance, wavelength, and core diameter for all 5-LP modes. In anticipation of further reduction in crosstalk levels, the trench-assisted cores have been incorporated for all respective designs. Ultra-low crosstalk (-138 dB/100 km) has been achieved through the triangular lattice arrangement, with trench depth Δ2 = -1.40% for fundamental (LP01) mode. It has been noted that the impact of mode polarization on crosstalk behavior is minor, with difference in crosstalk levels between two polarized spatial modes as ≤0.2 dB. Moreover, the optimized cladding diameter has been obtained for all 5-LP modes for a target value of crosstalk of -50 dB/100 km, with all the core arrangements. The dispersion characteristic has also been analyzed with respect to wavelength, which is nearly 2.5 ps/nm km at operating wavelength 1550 nm. The relative core multiplicity factor (RCMF) for the proposed design is obtained as 64.

Distinct Secondary Structures of the Leucine-Rich Repeat Proteoglycans Decorin and Biglycan: Glycosylation-Dependent Conformational Stability

NASA Technical Reports Server (NTRS)

Krishnan, Priya; Hocking, Anne M.; Scholtz, J. Martin; Pace, C. Nick; Holik, Kimberly K.; McQuillan, David J.

1998-01-01

Biglycan and decorin, closely related small leucine-rich repeat proteoglycans, have been overexpressed in eukaryotic cers and two major glycoforms isolated under native conditions: a proteoglycan substituted with glycosaminoglycan chains; and a core protein form secreted devoid of glycosaminoglycans. A comparative biophysical study of these glycoforms has revealed that the overall secondary structures of biglycan and decorin are different. Far-UV Circular Dichroism (CD) spectroscopy of decorin and biglycan proteoglycans indicates that, although they are predominantly Beta-sheet, biglycan has a significantly higher content of alpha-helical structure. Decorin proteoglycan and core protein are very similar, whereas the biglycan core protein exhibits closer similarity to the decorin glycoforms than to. the biglycan proteoglycan form. However, enzymatic removal of the chondroitin sulfate chains from biglycan proteoglycan does not induce a shift to the core protein structure, suggesting that the fmal form is influenced by polysaccharide addition only during biosynthesis. Fluorescence emission spectroscopy demonstrated that the single tryptophan residue, which is at a conserved position at the C-terminal domain of both biglycan and decorin, is found in similar microenvironments. This indicates that at least in this specific domain, the different glycoforms do exhibit apparent conservation of structure. Exposure of decorin and biglycan to 10 M urea resulted in an increase in fluorescent intensity, which indicates that the emission from tryptophan in the native state is quenched. Comparison of urea-induced protein unfolding curves provided further evidence that decorin and biglycan assume different structures in solution. Decorin proteoglycan and core protein unfold in a manner similar to a classic two-state model, in which there is a steep transition to an unfolded state between 1-2 M urea. The biglycan core protein also shows a similar steep transition. However, biglycan proteoglycan shows a broad unfolding transition between 1-6 M urea, probably indicating the presence of stable unfolding intermediates.

Seismic structures in the inner and outer core constrained by the PKP observations near the caustic distance range

NASA Astrophysics Data System (ADS)

Yu, W.; Wen, L.; Niu, F.

2002-05-01

We have extensively collected PKP waveforms around the PKP caustic distance range (141o - 147o) recorded in several dense regional arrays and the Global Seismic Network covering from 1990 to 2000. PKP observations at this distance range (141o - 147o) are usually purposely avoided in travel time analyses, because of the interference of various PKP branches. The observations there, however, will be extremely useful for constraining the seismic structures at both the top of the inner core and the bottom of the outer core. Moreover, because PKIKP phases sample a depth range of 100 km - 170 km below the inner-core boundary at this distant range, their observations fill the sampling depth gap between the PKiKP-PKIKP observations at the smaller distances and the PKPbc-PKIKP phases at the larger distances. Before the PKP caustics (141o - 145o), the diffracted PKP phases near the B caustics (PKPBdiff) and PKiKP phases are discernible in the long-period seismograms, and their differential travel times and waveforms could be used to constrain seismic structures at the bottom of the outer core and/or at the base of the mantle. The observed long-period PKiKP-PKPBdiff waveforms exhibit a hemispheric difference between those sampling the "eastern" and "western" hemispheres, with those sampling the "western" hemisphere showing larger time separations between the two phases. These observations can be explained by models with P velocity gradients of 0.0806 (km/s)/ 200 km for the "western" hemisphere and 0.114 (km/s)/200 km for the "eastern" hemisphere at the bottom of the outer core. Alternatively, these observations can also be explained by models with different velocity structures at the bottom 200 km of the mantle with P velocity variations in an order of 3 percent with respect to PREM. Broadband PKP observations after the PKP caustics (145o - 147o), on the other hand, provide high-quality constraints on the seismic structures at both the top of the inner core and the bottom of the outer core, as PKPbc phases can be used as excellent reference phases. We explore seismic models in both the bottom of the outer core and the top of the inner core, which can consistently explain the seismic observations at the caustic distance range (141o - 147o) and the PKiKP-PKIKP observations at the closer distances (Niu and Wen, Nature, 410, 1081-1084, 2001, Wen and Niu, JGR, submitted).

A theoretical and experimental benchmark study of core-excited states in nitrogen

DOE PAGES

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan; ...

2018-02-14

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

A theoretical and experimental benchmark study of core-excited states in nitrogen

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

Myhre, Rolf H.; Wolf, Thomas J. A.; Cheng, Lan

The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different electronic structure methods for core excitations. We report high resolution experimental measurements performed at the SOLEIL synchrotron facility. These are compared with theoretical spectra calculated using coupled cluster theory and algebraic diagrammatic construction theory. The coupled cluster singles and doubles with perturbative triples model known as CC3 is shown to accurately reproduce the experimental excitation energies as well as the spacing of the vibrational transitions. In conclusion, the computationalmore » results are also shown to be systematically improved within the coupled cluster hierarchy, with the coupled cluster singles, doubles, triples, and quadruples method faithfully reproducing the experimental vibrational structure.« less

Structures of oncogenic, suppressor and rescued p53 core-domain variants: mechanisms of mutant p53 rescue

PubMed Central

Wallentine, Brad D.; Wang, Ying; Tretyachenko-Ladokhina, Vira; Tan, Martha; Senear, Donald F.; Luecke, Hartmut

2013-01-01

To gain insights into the mechanisms by which certain second-site suppressor mutations rescue the function of a significant number of cancer mutations of the tumor suppressor protein p53, X-ray crystallographic structures of four p53 core-domain variants were determined. These include an oncogenic mutant, V157F, two single-site suppressor mutants, N235K and N239Y, and the rescued cancer mutant V157F/N235K/N239Y. The V157F mutation substitutes a smaller hydrophobic valine with a larger hydrophobic phenylalanine within strand S4 of the hydrophobic core. The structure of this cancer mutant shows no gross structural changes in the overall fold of the p53 core domain, only minor rearrangements of side chains within the hydrophobic core of the protein. Based on biochemical analysis, these small local perturbations induce instability in the protein, increasing the free energy by 3.6 kcal mol−1 (15.1 kJ mol−1). Further biochemical evidence shows that each suppressor mutation, N235K or N239Y, acts individually to restore thermodynamic stability to V157F and that both together are more effective than either alone. All rescued mutants were found to have wild-type DNA-binding activity when assessed at a permissive temperature, thus pointing to thermodynamic stability as the critical underlying variable. Interestingly, thermodynamic analysis shows that while N239Y demonstrates stabilization of the wild-type p53 core domain, N235K does not. These observations suggest distinct structural mechanisms of rescue. A new salt bridge between Lys235 and Glu198, found in both the N235K and rescued cancer mutant structures, suggests a rescue mechanism that relies on stabilizing the β-sandwich scaffold. On the other hand, the substitution N239Y creates an advantageous hydrophobic contact between the aromatic ring of this tyrosine and the adjacent Leu137. Surprisingly, the rescued cancer mutant shows much larger structural deviations than the cancer mutant alone when compared with wild-type p53. These suppressor mutations appear to rescue p53 function by creating novel intradomain interactions that stabilize the core domain, allowing compensation for the destabilizing V157F mutation. PMID:24100332

Constraining Mercury's interior structure with geodesy data and its present thermal state

NASA Astrophysics Data System (ADS)

Rivoldini, Attilio; Van Hoolst, Tim; Noack, Lena

2015-04-01

Recent measurements of Mercury's spin state and gravitational field supplemented by the assumption that the planet's core is made of iron and sulfur give strong constraints on its interior structure. In particular, they allow a precise determination of Mercury's core size and average mantle density. Present geodesy data do, however, almost not constrain the size of the inner core. Interior structure models with a fully molten liquid core as well as models with an inner core almost as large as the core agree with the observations. Additionally, the observed internally generated magnetic field of Mercury does not preclude the absence of an inner core, since remelting of iron snow inside the core could produce a sufficient buoyancy flux to drive magnetic field generation by compositional convection. Although sulfur is ubiquitously invoked as being the principal candidate light element in terrestrial planet's cores its abundance in the core depends on the redox conditions during planetary formation. Remote sensing data of Mercury's surface by MESSENGER indicate that Mercury formed under reducing conditions. As a consequence, substantial amounts of other light elements like for example silicon and carbon could be present together with sulfur inside Mercury's core. Compared to sulfur, which does almost not partition into solid iron at Mercury's core conditions, silicon partitions almost equally well between solid and liquid iron whereas a few percent of carbon can partition into solid iron. Therefore, compared to a pure iron-sulfur core, if silicon and carbon are present in the core the density jump at the inner-core outer-core boundary could be smaller and induce a large enough change in the inner-core flattening to alter Mercury's libration amplitude. Moreover, the presence of carbon together with sulfur further reduces the core solidus temperature, potentially delaying the onset of inner core formation. Finally, if both silicon and sulfur are present in sufficient quantities a thin layer much enriched in sulfur and depleted in silicon could form at the top of the core as a consequence of a large immiscibility region in liquid Fe-S-Si at Mercury's core conditions. The present radius of an inner core depends mainly on Mercury's thermal state and concentration of light elements inside the core. Because of the secular cooling of the planet, at a time in Mercury's evolution the temperature inside the core drops below the core liquidus temperature somewhere in the core, which can lead to the formation of an inner core and to the global contraction of the planet. The amount of contraction depends mainly on the temperature decrease, on the thermal expansion of the materials inside the planet, on the volume of crystallized iron-rich core liquid, and on the volume of crystallized crust. In this study we use geodesy data (88 day libration amplitude, polar moment of inertia, and tidal Love number), the recent estimate about the radial contraction of Mercury, and thermo-chemical evolution calculations taking into account the formation of the crust, a growing inner core, and modeling the formation of iron-rich snow in the core in order to improve our knowledge about Mercury's inner core radius and thermal state. Since data from remote sensing of Mercury's surface indicate that Mercury formed under reducing conditions we consider models that have sulfur, silicon, and carbon as light elements inside their core.

Structural stability of interaction networks against negative external fields

NASA Astrophysics Data System (ADS)

Yoon, S.; Goltsev, A. V.; Mendes, J. F. F.

2018-04-01

We explore structural stability of weighted and unweighted networks of positively interacting agents against a negative external field. We study how the agents support the activity of each other to confront the negative field, which suppresses the activity of agents and can lead to collapse of the whole network. The competition between the interactions and the field shape the structure of stable states of the system. In unweighted networks (uniform interactions) the stable states have the structure of k -cores of the interaction network. The interplay between the topology and the distribution of weights (heterogeneous interactions) impacts strongly the structural stability against a negative field, especially in the case of fat-tailed distributions of weights. We show that apart from critical slowing down there is also a critical change in the system structure that precedes the network collapse. The change can serve as an early warning of the critical transition. To characterize changes of network structure we develop a method based on statistical analysis of the k -core organization and so-called "corona" clusters belonging to the k -cores.

Synonymous Mutations in the Core Gene Are Linked to Unusual Serological Profile in Hepatitis C Virus Infection

PubMed Central

Budkowska, Agata; Kakkanas, Athanassios; Nerrienet, Eric; Kalinina, Olga; Maillard, Patrick; Horm, Srey Viseth; Dalagiorgou, Geena; Vassilaki, Niki; Georgopoulou, Urania; Martinot, Michelle; Sall, Amadou Alpha; Mavromara, Penelope

2011-01-01

The biological role of the protein encoded by the alternative open reading frame (core+1/ARF) of the Hepatitis C virus (HCV) genome remains elusive, as does the significance of the production of corresponding antibodies in HCV infection. We investigated the prevalence of anti-core and anti-core+1/ARFP antibodies in HCV-positive blood donors from Cambodia, using peptide and recombinant protein-based ELISAs. We detected unusual serological profiles in 3 out of 58 HCV positive plasma of genotype 1a. These patients were negative for anti-core antibodies by commercial and peptide-based assays using C-terminal fragments of core but reacted by Western Blot with full-length core protein. All three patients had high levels of anti-core+1/ARFP antibodies. Cloning of the cDNA that corresponds to the core-coding region from these sera resulted in the expression of both core and core+1/ARFP in mammalian cells. The core protein exhibited high amino-acid homology with a consensus HCV1a sequence. However, 10 identical synonymous mutations were found, and 7 were located in the aa(99–124) region of core. All mutations concerned the third base of a codon, and 5/10 represented a T>C mutation. Prediction analyses of the RNA secondary structure revealed conformational changes within the stem-loop region that contains the core+1/ARFP internal AUG initiator at position 85/87. Using the luciferase tagging approach, we showed that core+1/ARFP expression is more efficient from such a sequence than from the prototype HCV1a RNA. We provide additional evidence of the existence of core+1/ARFP in vivo and new data concerning expression of HCV core protein. We show that HCV patients who do not produce normal anti-core antibodies have unusually high levels of antit-core+1/ARFP and harbour several identical synonymous mutations in the core and core+1/ARFP coding region that result in major changes in predicted RNA structure. Such HCV variants may favour core+1/ARFP production during HCV infection. PMID:21283512

Post-impact alteration of the Manson impact structure

NASA Technical Reports Server (NTRS)

Crossey, L. J.; Mccarville, P.

1993-01-01

Core materials from the Manson impact site (Manson, Iowa) are examined in order to evaluate post-impact alteration processes. Diagenetic interpretation of post-impact events is based on petrologic, mineralogic, and geochemical investigation of core materials including the following: target strata, disturbed and disrupted strata, ejecta, breccias, microbreccias, and impact melt. The diagenetic study utilizes research cores obtained by the continental scientific drilling project (CSDP) at the Manson structure, as well as core and cuttings of related materials. Samples include impactites (breccias, microbreccias, and melt material), crater fill material (sedimentary clast breccias), disturbed and disrupted target rocks, and reference target material (Amoco Eisheid No. 1 materials). The study of multiple cores will permit development of a regional picture of post-impact thermal history. The specific objectives are as follows: (1) provide a detailed description of authigenic and alteration mineralogy from diverse lithologies encountered in research drill cores at the Manson impact structure, and (2) identify and relate significant post-impact mineral alteration to post-impact thermal regime (extent and duration). Results will provide mineralogical and geochemical constraints on models for post-impact processes including the following: infilling of the crater depression; cooling and hydrothermal alteration of melt rocks; and subsequent long-term, low-temperature alteration of target rocks, breccias, and melt rocks. Preliminary petrologic and x-ray diffraction examination of fracture linings and void fillings from research core M1 indicate the presence of quartz, chlorite, mixed-layer clays, gypsum/anhydrite, calcite, and minor pyrite.

Influence of the supporting die structures on the fracture strength of all-ceramic materials.

PubMed

Yucel, Munir Tolga; Yondem, Isa; Aykent, Filiz; Eraslan, Oğuz

2012-08-01

This study investigated the influence of the elastic modulus of supporting dies on the fracture strengths of all-ceramic materials used in dental crowns. Four different types of supporting die materials (dentin, epoxy resin, brass, and stainless steel) (24 per group) were prepared using a milling machine to simulate a mandibular molar all-ceramic core preparation. A total number of 96 zirconia cores were fabricated using a CAD/CAM system. The specimens were divided into two groups. In the first group, cores were cemented to substructures using a dual-cure resin cement. In the second group, cores were not cemented to the supporting dies. The specimens were loaded using a universal testing machine at a crosshead speed of 0.5 mm/min until fracture occurred. Data were statistically analyzed using two-way analysis of variance and Tukey HSD tests (α = 0.05). The geometric models of cores and supporting die materials were developed using finite element method to obtain the stress distribution of the forces. Cemented groups showed statistically higher fracture strength values than non-cemented groups. While ceramic cores on stainless steel dies showed the highest fracture strength values, ceramic cores on dentin dies showed the lowest fracture strength values among the groups. The elastic modulus of the supporting die structure is a significant factor in determining the fracture resistance of all-ceramic crowns. Using supporting die structures that have a low elastic modulus may be suitable for fracture strength tests, in order to accurately reflect clinical conditions.

Crystal Structure of the Marburg Virus Nucleoprotein Core Domain Chaperoned by a VP35 Peptide Reveals a Conserved Drug Target for Filovirus.

PubMed

Zhu, Tengfei; Song, Hao; Peng, Ruchao; Shi, Yi; Qi, Jianxun; Gao, George F

2017-09-15

Filovirus nucleoprotein (NP), viral protein 35 (VP35), and polymerase L are essential for viral replication and nucleocapsid formation. Here, we identify a 28-residue peptide (NP binding peptide [NPBP]) from Marburg virus (MARV) VP35 through sequence alignment with previously identified Ebola virus (EBOV) NPBP, which bound to the core region (residues 18 to 344) of the N-terminal portion of MARV NP with high affinity. The crystal structure of the MARV NP core/NPBP complex at a resolution of 2.6 Å revealed that NPBP binds to the C-terminal region of the NP core via electrostatic and nonpolar interactions. Further structural analysis revealed that the MARV and EBOV NP cores hold a conserved binding pocket for NPBP, and this pocket could serve as a promising target for the design of universal drugs against filovirus infection. In addition, cross-binding assays confirmed that the NP core of MARV or EBOV can bind the NPBP from the other virus, although with moderately reduced binding affinities that result from termini that are distinct between the MARV and EBOV NPBPs. IMPORTANCE Historically, Marburg virus (MARV) has caused severe disease with up to 90% lethality. Among the viral proteins produced by MARV, NP and VP35 are both multifunctional proteins that are essential for viral replication. In its relative, Ebola virus (EBOV), an N-terminal peptide from VP35 binds to the NP N-terminal region with high affinity. Whether this is a common mechanism among filoviruses is an unsolved question. Here, we present the crystal structure of a complex that consists of the core domain of MARV NP and the NPBP peptide from VP35. As we compared MARV NPBP with EBOV NPBP, several different features at the termini were identified. Although these differences reduce the affinity of the NP core for NPBPs across genera, a conserved pocket in the C-terminal region of the NP core makes cross-species binding possible. Our results expand our knowledge of filovirus NP-VP35 interactions and provide more details for therapeutic intervention. Copyright © 2017 American Society for Microbiology.

Effect of controlling recrystallization from the melt on the residual stress and structural properties of the Silica-clad Ge core fiber

NASA Astrophysics Data System (ADS)

Zhao, Ziwen; Cheng, Xueli; He, Ting; Xue, Fei; Zhang, Wei; Chen, Na; Wen, Jianxiang; Zeng, Xianglong; Wang, Tingyun

2017-09-01

Effect of controlling recrystallization from the melt (1000 °C) on the residual stress and structural properties of a Ge core fiber via molten core drawing (MCD) method is investigated. Ge core fibers is investigated using Raman spectroscopy, scanning electron microscope (SEM), and X-ray diffraction (XRD). Compared with the as-drawn Ge fiber, the Raman peak of the recrystallized Ge fiber shift from 300 cm-1 to 300.6 cm-1 and full width at half maximum (FWHM) decreased from 5.36 cm-1 to 4.48 cm-1. The Ge crystal grains which sizes are of 200-600 nm were formed during the process of recrystallization; the XRD peak of (1 1 1) plane is observed after recrystallization. These results show that controlling recrystallization allows the release of the thermal stress, and improvement of the crystal quality of Ge core.

Enhanced exchange bias and improved ferromagnetic properties in Permalloy-BiFe0.95Co0.05O3 core-shell nanostructures.

PubMed

Javed, K; Li, W J; Ali, S S; Shi, D W; Khan, U; Riaz, S; Han, X F

2015-12-14

Hybrid core-shell nanostructures consisting of permalloy (Ni80Fe20) and multiferroic(BiFeO3, BFO/BiFe0.95Co0.05O3, BFC) materials were synthesized by a two-step method, based on wet chemical impregnation and subsequent electrodeposition within porous alumina membranes. Structural and magnetic characterizations have been done to investigate doping effect on magnetic properties and exchange bias. The magnetometry analysis revealed significant enhancements of the exchange bias and coercivity in NiFe-BFC core-shell nanostructures as compared with NiFe-BFO core-shell nanostructures. The enhancements can be attributed to the effective reduction of ferromagnet domain sizes between adjacent layers of core-shell structure. It indicates that it is possible to improve properties of multiferroic composites by site-engineering method. Our approach opens a pathway to obtain optimized nanostructured multiferroic composites exhibiting tunable magnetic properties.

Electrosprayed core-shell polymer-lipid nanoparticles for active component delivery

NASA Astrophysics Data System (ADS)

Eltayeb, Megdi; Stride, Eleanor; Edirisinghe, Mohan

2013-11-01

A key challenge in the production of multicomponent nanoparticles for healthcare applications is obtaining reproducible monodisperse nanoparticles with the minimum number of preparation steps. This paper focus on the use of electrohydrodynamic (EHD) techniques to produce core-shell polymer-lipid structures with a narrow size distribution in a single step process. These nanoparticles are composed of a hydrophilic core for active component encapsulation and a lipid shell. It was found that core-shell nanoparticles with a tunable size range between 30 and 90 nm and a narrow size distribution could be reproducibly manufactured. The results indicate that the lipid component (stearic acid) stabilizes the nanoparticles against collapse and aggregation and improves entrapment of active components, in this case vanillin, ethylmaltol and maltol. The overall structure of the nanoparticles produced was examined by multiple methods, including transmission electron microscopy and differential scanning calorimetry, to confirm that they were of core-shell form.

Electronic Structure Calculations and Adaptation Scheme in Multi-core Computing Environments

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

Seshagiri, Lakshminarasimhan; Sosonkina, Masha; Zhang, Zhao

2009-05-20

Multi-core processing environments have become the norm in the generic computing environment and are being considered for adding an extra dimension to the execution of any application. The T2 Niagara processor is a very unique environment where it consists of eight cores having a capability of running eight threads simultaneously in each of the cores. Applications like General Atomic and Molecular Electronic Structure (GAMESS), used for ab-initio molecular quantum chemistry calculations, can be good indicators of the performance of such machines and would be a guideline for both hardware designers and application programmers. In this paper we try to benchmarkmore » the GAMESS performance on a T2 Niagara processor for a couple of molecules. We also show the suitability of using a middleware based adaptation algorithm on GAMESS on such a multi-core environment.« less

Chemoenzymatic assembly of mammalian O-mannose glycans.

PubMed

Cao, Hongzhi; Meng, Caicai; Sasmal, Aniruddha; Zhang, Yan; Gao, Tian; Liu, Chang-Cheng; Khan, Naazneen; Varki, Ajit; Wang, Fengshan

2018-05-26

O-Mannose glycans account up to 30% of total O-glycans in brain. Previous synthesis and functional studies only focused on the Core M3 O-mannose glycans of α-dystroglycan which are a causative factor for various muscular diseases. In this study, a highly efficient chemoenzymatic strategy was developed that enabled the first collective synthesis of 63 Core M1 and Core M2 O-mannose glycans. This chemoenzymatic strategy features the gram-scale chemical synthesis of 5 judiciously designed core structures, and the diversity-oriented modification of the core structures with 3 enzyme modules to provide 58 complex O-mannose glycans in a linear sequence that does not exceed 4 steps. The binding profiles of synthetic O-mannose glycans with a panel of lectins, antibodies and brain proteins were also explored using the printed O-mannose glycan array. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hanging core support system for a nuclear reactor. [LMFBR

DOEpatents

Burelbach, J.P.; Kann, W.J.; Pan, Y.C.; Saiveau, J.G.; Seidensticker, R.W.

1984-04-26

For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform.

Superconducting magnet and fabrication method

NASA Technical Reports Server (NTRS)

Israelsson, Ulf E. (Inventor); Strayer, Donald M. (Inventor)

1994-01-01

A method of trapping a field in a block of superconductor material, includes providing (i) a block of material defining a bore, (ii) a high permeability core within the bore that defines a low reluctance path through the bore, (iii) a high permeability external structure on the exterior of the block of material that defines a low reluctance path between opposite ends of the core, and (iv) an electromagnet configured to apply a magnetic field around the high permeability core. The method proceeds by energizing the electromagnet to produce an applied magnetic field around the high permeability core, cooling the block of material sufficiently to render the block of material superconducting, de-energizing the electromagnet to result in a trapped magnetic field, and at least partially removing the low reluctance path defined by the core and the external structure in order to increase the magnetic flux density of the trapped magnetic field.

Foam patterns

DOEpatents

Chaudhry, Anil R; Dzugan, Robert; Harrington, Richard M; Neece, Faurice D; Singh, Nipendra P; Westendorf, Travis

2013-11-26

A method of creating a foam pattern comprises mixing a polyol component and an isocyanate component to form a liquid mixture. The method further comprises placing a temporary core having a shape corresponding to a desired internal feature in a cavity of a mold and inserting the mixture into the cavity of the mold so that the mixture surrounds a portion of the temporary core. The method optionally further comprises using supporting pins made of foam to support the core in the mold cavity, with such pins becoming integral part of the pattern material simplifying subsequent processing. The method further comprises waiting for a predetermined time sufficient for a reaction from the mixture to form a foam pattern structure corresponding to the cavity of the mold, wherein the foam pattern structure encloses a portion of the temporary core and removing the temporary core from the pattern independent of chemical leaching.

Preliminary Results on Lunar Interior Properties from the GRAIL Mission

NASA Technical Reports Server (NTRS)

Williams, James G.; Konopliv, Alexander S.; Asmar, Sami W.; Lemoine, H. Jay; Melosh, H. Jay; Neumann, Gregory A.; Phillips, Roger J.; Smith, David E.; Solomon, Sean C.; Watkins, Michael M.;

On the possibility of room temperature ferromagnetism on chunk-shape BaSnO3/ZnO core/shell nanostructures

NASA Astrophysics Data System (ADS)

Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Core/shell BaSnO3/ZnO (BS-ZO) nanostructures were prepared by oxalate precipitation method and wet-chemical method. BaSnO3 (BSO) cubic perovskite structure and ZnO hexagonal wurtzite structure were confirmed by X-ray diffraction (XRD). The crystallite sizes is 23 nm, 29 nm and 27 nm for BSO, ZnO and BS-ZO, respectively. Chunk-shape and cuboids morphology observed from scanning electron microscopy (SEM) analysis. The magnetic properties were studied by VSM for bare and core-shell nano systems and the room temperature ferromagnetism observed for core-shell nanostructures. The BSO/ZnO shows enhanced coercivity and saturated magnetization as compared with BSO and ZnO nanostructures.

Two emissive-magnetic composite platforms for Hg(II) sensing and removal: The combination of magnetic core, silica molecular sieve and rhodamine chemosensors

NASA Astrophysics Data System (ADS)

Mao, Hanping; Liu, Zhongshou

2018-01-01

In this paper, a composite sensing platform for Hg(II) optical sensing and removal was designed and reported. A core-shell structure was adopted, using magnetic Fe3O4 nanoparticles as the core, silica molecular sieve MCM-41 as the shell, respectively. Two rhodamine derivatives were synthesized as chemosensor and covalently immobilized into MCM-41 tunnels. Corresponding composite samples were characterized with SEM/TEM images, XRD analysis, IR spectra, thermogravimetry and N2 adsorption/desorption analysis, which confirmed their core-shell structure. Their emission was increased by Hg(II), showing emission turn on effect. High selectivity, linear working curves and recyclability were obtained from these composite samples.

Boron-based nanostructures: Synthesis, functionalization, and characterization

NASA Astrophysics Data System (ADS)

Bedasso, Eyrusalam Kifyalew

Boron-based nanostructures have not been explored in detail; however, these structures have the potential to revolutionize many fields including electronics and biomedicine. The research discussed in this dissertation focuses on synthesis, functionalization, and characterization of boron-based zero-dimensional nanostructures (core/shell and nanoparticles) and one-dimensional nanostructures (nanorods). The first project investigates the synthesis and functionalization of boron-based core/shell nanoparticles. Two boron-containing core/shell nanoparticles, namely boron/iron oxide and boron/silica, were synthesized. Initially, boron nanoparticles with a diameter between 10-100 nm were prepared by decomposition of nido-decaborane (B10H14) followed by formation of a core/shell structure. The core/shell structures were prepared using the appropriate precursor, iron source and silica source, for the shell in the presence of boron nanoparticles. The formation of core/shell nanostructures was confirmed using high resolution TEM. Then, the core/shell nanoparticles underwent a surface modification. Boron/iron oxide core/shell nanoparticles were functionalized with oleic acid, citric acid, amine-terminated polyethylene glycol, folic acid, and dopamine, and boron/silica core/shell nanoparticles were modified with 3-(amino propyl) triethoxy silane, 3-(2-aminoethyleamino)propyltrimethoxysilane), citric acid, folic acid, amine-terminated polyethylene glycol, and O-(2-Carboxyethyl)polyethylene glycol. A UV-Vis and ATR-FTIR analysis established the success of surface modification. The cytotoxicity of water-soluble core/shell nanoparticles was studied in triple negative breast cancer cell line MDA-MB-231 and the result showed the compounds are not toxic. The second project highlights optimization of reaction conditions for the synthesis of boron nanorods. This synthesis, done via reduction of boron oxide with molten lithium, was studied to produce boron nanorods without any contamination and with a uniform size distribution. Various reaction parameters such as temperature, reaction time, and sonication were altered to find the optimal reaction conditions. Once these conditions were determined, boron nanorods were produced then functionalized with amine-terminated polyethylene glycol.

De novo design of the hydrophobic core of ubiquitin.

PubMed Central

Lazar, G. A.; Desjarlais, J. R.; Handel, T. M.

1997-01-01

We have previously reported the development and evaluation of a computational program to assist in the design of hydrophobic cores of proteins. In an effort to investigate the role of core packing in protein structure, we have used this program, referred to as Repacking of Cores (ROC), to design several variants of the protein ubiquitin. Nine ubiquitin variants containing from three to eight hydrophobic core mutations were constructed, purified, and characterized in terms of their stability and their ability to adopt a uniquely folded native-like conformation. In general, designed ubiquitin variants are more stable than control variants in which the hydrophobic core was chosen randomly. However, in contrast to previous results with 434 cro, all designs are destabilized relative to the wild-type (WT) protein. This raises the possibility that beta-sheet structures have more stringent packing requirements than alpha-helical proteins. A more striking observation is that all variants, including random controls, adopt fairly well-defined conformations, regardless of their stability. This result supports conclusions from the cro studies that non-core residues contribute significantly to the conformational uniqueness of these proteins while core packing largely affects protein stability and has less impact on the nature or uniqueness of the fold. Concurrent with the above work, we used stability data on the nine ubiquitin variants to evaluate and improve the predictive ability of our core packing algorithm. Additional versions of the program were generated that differ in potential function parameters and sampling of side chain conformers. Reasonable correlations between experimental and predicted stabilities suggest the program will be useful in future studies to design variants with stabilities closer to that of the native protein. Taken together, the present study provides further clarification of the role of specific packing interactions in protein structure and stability, and demonstrates the benefit of using systematic computational methods to predict core packing arrangements for the design of proteins. PMID:9194177

Understanding the core-halo relation of quantum wave dark matter from 3D simulations.

PubMed

Schive, Hsi-Yu; Liao, Ming-Hsuan; Woo, Tak-Pong; Wong, Shing-Kwong; Chiueh, Tzihong; Broadhurst, Tom; Hwang, W-Y Pauchy

2014-12-31

We examine the nonlinear structure of gravitationally collapsed objects that form in our simulations of wavelike cold dark matter, described by the Schrödinger-Poisson (SP) equation with a particle mass ∼10(-22)  eV. A distinct gravitationally self-bound solitonic core is found at the center of every halo, with a profile quite different from cores modeled in the warm or self-interacting dark matter scenarios. Furthermore, we show that each solitonic core is surrounded by an extended halo composed of large fluctuating dark matter granules which modulate the halo density on a scale comparable to the diameter of the solitonic core. The scaling symmetry of the SP equation and the uncertainty principle tightly relate the core mass to the halo specific energy, which, in the context of cosmological structure formation, leads to a simple scaling between core mass (Mc) and halo mass (Mh), Mc∝a(-1/2)Mh(1/3), where a is the cosmic scale factor. We verify this scaling relation by (i) examining the internal structure of a statistical sample of virialized halos that form in our 3D cosmological simulations and by (ii) merging multiple solitons to create individual virialized objects. Sufficient simulation resolution is achieved by adaptive mesh refinement and graphic processing units acceleration. From this scaling relation, present dwarf satellite galaxies are predicted to have kiloparsec-sized cores and a minimum mass of ∼10(8)M⊙, capable of solving the small-scale controversies in the cold dark matter model. Moreover, galaxies of 2×10(12)M⊙ at z=8 should have massive solitonic cores of ∼2×10(9)M⊙ within ∼60  pc. Such cores can provide a favorable local environment for funneling the gas that leads to the prompt formation of early stellar spheroids and quasars.

Resonance between a Prolate and a Superprolate Structure of the Er Nucleus.

PubMed

Pauling, L; Blethen, J

1974-07-01

Observed energy levels of (162)Er from the normal state J = 0 to the excited rotational state J = 18 correspond to values of the moment of inertia and rotational frequency that indicate that a pronounced change in structure occurs at about J = 14. It is shown that the observed values agree well with the values calculated on the assumption that there is resonance between a more stable prolate structure with a core of two spherons and a less stable superprolate structure with a core of three spherons in line.

Raising the Reliability of Forming Rolls by Alloying Their Core with Copper

NASA Astrophysics Data System (ADS)

Zhizhkina, N. A.

2016-11-01

The mechanical properties and the structure of forming rolls from cast irons of different compositions are studied. A novel iron including a copper additive that lowers its chilling and raises the homogeneity of the structure is suggested for the roll cores. The use of such iron should raise the reliability of the rolls in operation.

Waterlike anomalies in a two-dimensional core-softened potential

NASA Astrophysics Data System (ADS)

Bordin, José Rafael; Barbosa, Marcia C.

2018-02-01

We investigate the structural, thermodynamic, and dynamic behavior of a two-dimensional (2D) core-corona system using Langevin dynamics simulations. The particles are modeled by employing a core-softened potential which exhibits waterlike anomalies in three dimensions. In previous studies in a quasi-2D system a new region in the pressure versus temperature phase diagram of structural anomalies was observed. Here we show that for the two-dimensional case two regions in the pressure versus temperature phase diagram with structural, density, and diffusion anomalies are observed. Our findings indicate that, while the anomalous region at lower densities is due the competition between the two length scales in the potential at higher densities, the anomalous region is related to the reentrance of the melting line.

Self-organisation of dodeca-dendronized fullerene into supramolecular discs and helical columns containing a nanowire-like core.

PubMed

Guerra, Sebastiano; Iehl, Julien; Holler, Michel; Peterca, Mihai; Wilson, Daniela A; Partridge, Benjamin E; Zhang, Shaodong; Deschenaux, Robert; Nierengarten, Jean-François; Percec, Virgil

2015-06-01

Twelve chiral and achiral self-assembling dendrons have been grafted onto a [60]fullerene hexa-adduct core by copper-catalyzed alkyne azide "click" cycloaddition. The structure adopted by these compounds was determined by the self-assembling peripheral dendrons. These twelve dendrons mediate the self-organisation of the dendronized [60]fullerene into a disc-shaped structure containing the [60]fullerene in the centre. The fullerene-containing discs self-organise into helical supramolecular columns with a fullerene nanowire-like core, forming a 2D columnar hexagonal periodic array. These unprecedented supramolecular structures and their assemblies are expected to provide new developments in chiral complex molecular systems and their application to organic electronics and solar cells.

Development of a core sheath process for production of oxide fibers

NASA Technical Reports Server (NTRS)

Freske, S.

1972-01-01

Improvements were sought in an oxide fiber of a core sheath configuration intended for structural applications at 2000 F (1093 C). Discontinuities in the core were eliminated by using core materials other than pure alumina, and continuous core sheath fibers were produced. In the case of some core materials, the continuous sections were sufficiently long for applications in short fiber composites. Creep at 2000 F (1093 C) was found to be due, in most cases, to breaks in the core, allowing the glass sheath to creep. Evidence was obtained indicating that a closer match between the thermal expansion coefficient of the sheath and the core would greatly improve the strength.

Structural transition of (InSb)n clusters at n = 6-10

NASA Astrophysics Data System (ADS)

Lu, Qi Liang; Luo, Qi Quan; Huang, Shou Guo; Li, Yi De

2016-10-01

An optimization strategy combining global semi-empirical quantum mechanical search with all-electron density functional theory was adopted to determine the lowest energy structure of (InSb)n clusters with n = 6-10. A new structural growth pattern of the clusters was observed. The lowest energy structures of (InSb)6 and (InSb)8 were different from that of previously reported results. Competition existed between core-shell and cage-like structures of (InSb)8. The structural transition of (InSb)n clusters occurred at size n = 8-9. For (InSb)9 and (InSb)10 clusters, core-shell structure were more energetically favorable than the cage. The corresponding electronic properties were investigated.

Fabrication and investigation of effect of core size in heterostructure PbS/CdS core/shell nanoparticles

NASA Astrophysics Data System (ADS)

Das, D.; Hussain, A. M. P.

2018-04-01

PbS/CdS core/shell (CS) nanoparticles (NPs) were fabricated with three different concentrations of PbS core and CdS shell. Formation of core/shell heterostructure was confirmed from X-ray diffraction studies. The diffraction patterns exhibited formation of cubic phase and polycrystalline core/shell nanostructure. The crystalline sizes calculated from Williamson-Hall plot exhibited increase with molar concentration of precursors with decrease in strain. High resolution electron microscopy studies also confirm the formation of core/shell structure with particle size around 10 nm. A large blue-shift for PbS core compared to its bulk and small red-shift for the PbS/CdS core/shell as compared to the core is being observed in absorption spectra.

Inert Welding/Brazing Gas Filters and Dryers

NASA Technical Reports Server (NTRS)

Goudy, Jerry

2009-01-01

The use of hybridized carbon/silicon carbide (C/SiC) fabric to reinforce ceramic matrix composite face sheets and the integration of such face sheets with a foam core creates a sandwich structure capable of withstanding high-heat-flux environments (150 W/sq cm) in which the core provides a temperature drop of 1,000 C between the surface and the back face without cracking or delamination of the structure. The composite face sheet exhibits a bilinear response, which results from the SiC matrix not being cracked on fabrication. In addition, the structure exhibits damage tolerance under impact with projectiles, showing no penetration to the back face sheet. These attributes make the composite ideal for leading-edge structures and control surfaces in aerospace vehicles, as well as for acreage thermal protection systems and in high-temperature, lightweight stiffened structures. By tailoring the coefficient of thermal expansion (CTE) of a carbon fiber containing ceramic matrix composite (CMC) face sheet to match that of a ceramic foam core, the face sheet and the core can be integrally fabricated without any delamination. Carbon and SiC are woven together in the reinforcing fabric. Integral densification of the CMC and the foam core is accomplished with chemical vapor deposition, eliminating the need for bond-line adhesive. This means there is no need to separately fabricate the core and the face sheet, or to bond the two elements together, risking edge delamination during use. Fibers of two or more types are woven together on a loom. The carbon and ceramic fibers are pulled into the same "pick" location during the weaving process. Tow spacing may be varied to accommodate the increased volume of the combined fiber tows while maintaining a target fiber volume fraction in the composite. Foam pore size, strut thickness, and ratio of face sheet to core thickness can be used to tailor thermal and mechanical properties. The anticipated CTE for the hybridized composite is managed by the choice of constituents, varying fiber tow sizes and constituent part ratios. This structural concept provides high strength and stiffness at low density 1.06 g/cu cm in panels tested. Varieties of face sheet constructions are possible, including variations in fiber type and weave geometry. The integrated structures possible with this composite could eliminate the need for non-load-bearing thermal protection systems on top of a structural component. The back sheet can readily be integrated to substructures through the incorporation of ribs. This would eliminate weight and cost for aerospace missions.

Simulation Based Optimization of Complex Monolithic Composite Structures Using Cellular Core Technology

NASA Astrophysics Data System (ADS)

Hickmott, Curtis W.

Cellular core tooling is a new technology which has the capability to manufacture complex integrated monolithic composite structures. This novel tooling method utilizes thermoplastic cellular cores as inner tooling. The semi-rigid nature of the cellular cores makes them convenient for lay-up, and under autoclave temperature and pressure they soften and expand providing uniform compaction on all surfaces including internal features such as ribs and spar tubes. This process has the capability of developing fully optimized aerospace structures by reducing or eliminating assembly using fasteners or bonded joints. The technology is studied in the context of evaluating its capabilities, advantages, and limitations in developing high quality structures. The complex nature of these parts has led to development of a model using the Finite Element Analysis (FEA) software Abaqus and the plug-in COMPRO Common Component Architecture (CCA) provided by Convergent Manufacturing Technologies. This model utilizes a "virtual autoclave" technique to simulate temperature profiles, resin flow paths, and ultimately deformation from residual stress. A model has been developed simulating the temperature profile during curing of composite parts made with the cellular core technology. While modeling of composites has been performed in the past, this project will look to take this existing knowledge and apply it to this new manufacturing method capable of building more complex parts and develop a model designed specifically for building large, complex components with a high degree of accuracy. The model development has been carried out in conjunction with experimental validation. A double box beam structure was chosen for analysis to determine the effects of the technology on internal ribs and joints. Double box beams were manufactured and sectioned into T-joints for characterization. Mechanical behavior of T-joints was performed using the T-joint pull-off test and compared to traditional tooling methods. Components made with the cellular core tooling method showed an improved strength at the joints. It is expected that this knowledge will help optimize the processing of complex, integrated structures and benefit applications in aerospace where lighter, structurally efficient components would be advantageous.

Nuclear reactor melt-retention structure to mitigate direct containment heating

DOEpatents

Tutu, Narinder K.; Ginsberg, Theodore; Klages, John R.

1991-01-01

A light water nuclear reactor melt-retention structure to mitigate the extent of direct containment heating of the reactor containment building. The structure includes a retention chamber for retaining molten core material away from the upper regions of the reactor containment building when a severe accident causes the bottom of the pressure vessel of the reactor to fail and discharge such molten material under high pressure through the reactor cavity into the retention chamber. In combination with the melt-retention chamber there is provided a passageway that includes molten core droplet deflector vanes and has gas vent means in its upper surface, which means are operable to deflect molten core droplets into the retention chamber while allowing high pressure steam and gases to be vented into the upper regions of the containment building. A plurality of platforms are mounted within the passageway and the melt-retention structure to direct the flow of molten core material and help retain it within the melt-retention chamber. In addition, ribs are mounted at spaced positions on the floor of the melt-retention chamber, and grid means are positioned at the entrance side of the retention chamber. The grid means develop gas back pressure that helps separate the molten core droplets from discharged high pressure steam and gases, thereby forcing the steam and gases to vent into the upper regions of the reactor containment building.

Dense cores of GMAs in M51

NASA Astrophysics Data System (ADS)

Egusa, Fumi; Koda, J.; Scoville, N. Z.

2010-01-01

We present sensitive and high angular resolution CO(1-0) data obtained by CARMA observations toward the nearby grand-design spiral galaxy M51. From the data, Giant Molecular Associations (GMAs) in a spiral arm are found to be resolved into a few small clumps with mass of 106 Msun and size of 40 pc. As the densities of these clumps are estimated to be larger than 300 cm-3, we regard them as dense cores of GMAs. If GMAs were just confusion of Giant Molecular Clouds (GMCs) whose typical mass and size are almost the same as those of the detected clumps, we should have detected tens or more of them per each GMA considering the sensitivity of our data. However, only one or two cores are found in each GMA, indicating that GMAs are not ensembles of GMCs but are discrete smooth structures. This result is consistent with the conclusion by Koda et al. (2009), who worked on lower resolution CO data of M51. In addition, we have found that these cores are located downstream of the spiral arm. This suggests that the core formation of GMAs and their evolution are triggered by the spiral structure, or density waves. Our high resolution data reveal the inner structure of GMAs and its relationships to the global structure for the first time in grand-design spiral galaxies.

In-situ synthetize multi-walled carbon nanotubes@MnO2 nanoflake core-shell structured materials for supercapacitors

NASA Astrophysics Data System (ADS)

Zheng, Huajun; Wang, Jiaoxia; Jia, Yi; Ma, Chun'an

2012-10-01

A new type of core-shell structured material consisting of multi-walled carbon nanotubes (MWCNTs) and manganese dioxide (MnO2) nanoflake is synthesized using an in-situ co-precipitation method. By scanning electron microscopy and transition electron microscope, it is confirmed that the core-shell nanostructure is formed by the uniform incorporation of birnessite-type MnO2 nanoflake growth round the surface of the activated-MWCNTs. That core-shell structured material electrode presents excellent electrochemical capacitance properties with the specific capacitance reaching 380 F g-1 at the current density of 5 A g-1 in 0.5 M Na2SO4 electrolyte. In addition, the electrode also exhibits good performance (the power density: 11.28 kW kg-1 at 5 A g-1) and long-term cycling stability (retaining 82.7% of its initial capacitance after 3500 cycles at 5 A g-1). It mainly attributes to MWCNTs not only providing considerable specific surface area for high mass loading of MnO2 nanoflakes to ensure effective utilization of MnO2 nanoflake, but also offering an electron pathway to improve electrical conductivity of the electrode materials. It is clearly indicated that such core-shell structured materials including MWCNTs and MnO2 nanoflake may find important applications for supercapacitors.

Long-period seismology on Europa: 1. Physically consistent interior models

NASA Astrophysics Data System (ADS)

Cammarano, F.; Lekic, V.; Manga, M.; Panning, M.; Romanowicz, B.

2006-12-01

In order to examine the potential of seismology to determine the interior structure and properties of Europa, it is essential to calculate seismic velocities and attenuation for the range of plausible interiors. We calculate a range of models for the physical structure of Europa, as constrained by the satellite's composition, mass, and moment of inertia. We assume a water-ice shell, a pyrolitic or a chondritic mantle, and a core composed of pure iron or iron plus 20 weight percent of sulfur. We consider two extreme mantle thermal states: hot and cold. Given a temperature and composition, we determine density, seismic velocities, and attenuation using thermodynamical models. While anelastic effects will be negligible in a cold mantle and the brittle part of the ice shell, strong dispersion and dissipation are expected in a hot convective mantle and the bulk of the ice shell. There is a strong relationship between different thermal structures and compositions. The ``hot'' mantle may maintain temperatures consistent with a liquid core made of iron plus light elements. For the ``cold scenarios,'' the possibility of a solid iron core cannot be excluded, and it may even be favored. The depths of the ocean and core-mantle boundary are determined with high precision, 10 km and 40 km, respectively, once we assume a composition and thermal structure. Furthermore, the depth of the ocean is relatively insensitive (4 km) to the core composition used.

Genetic diversity, linkage disequilibrium, population structure and construction of a core collection of Prunus avium L. landraces and bred cultivars.

PubMed

Campoy, José Antonio; Lerigoleur-Balsemin, Emilie; Christmann, Hélène; Beauvieux, Rémi; Girollet, Nabil; Quero-García, José; Dirlewanger, Elisabeth; Barreneche, Teresa

2016-02-24

Depiction of the genetic diversity, linkage disequilibrium (LD) and population structure is essential for the efficient organization and exploitation of genetic resources. The objectives of this study were to (i) to evaluate the genetic diversity and to detect the patterns of LD, (ii) to estimate the levels of population structure and (iii) to identify a 'core collection' suitable for association genetic studies in sweet cherry. A total of 210 genotypes including modern cultivars and landraces from 16 countries were genotyped using the RosBREED cherry 6 K SNP array v1. Two groups, mainly bred cultivars and landraces, respectively, were first detected using STRUCTURE software and confirmed by Principal Coordinate Analysis (PCoA). Further analyses identified nine subgroups using STRUCTURE and Discriminant Analysis of Principal Components (DAPC). Several sub-groups correspond to different eco-geographic regions of landraces distribution. Linkage disequilibrium was evaluated showing lower values than in peach, the reference Prunus species. A 'core collection' containing 156 accessions was selected using the maximum length sub tree method. The present study constitutes the first population genetics analysis in cultivated sweet cherry using a medium-density SNP (single nucleotide polymorphism) marker array. We provided estimations of linkage disequilibrium, genetic structure and the definition of a first INRA's Sweet Cherry core collection useful for breeding programs, germplasm management and association genetics studies.

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems.

PubMed

Zhang, W B; Liu, J; Lu, S H; Zhang, H; Wang, H; Wang, X D; Cao, Q P; Zhang, D X; Jiang, J Z

2017-08-04

The size effect on atomic structure of a Cu 64 Zr 36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample size strongly affects local atomic structure in both Cu 64 Zr 36 SSAPs and SSAFs, which are composed of core and shell (surface) components. Compared with core component, the shell component of SSAPs has lower average coordination number and average bond length, higher degree of ordering, and lower packing density due to the segregation of Cu atoms on the shell of Cu 64 Zr 36 SSAPs. These atomic structure differences in SSAPs with various sizes result in different glass transition temperatures, in which the glass transition temperature for the shell component is found to be 577 K, which is much lower than 910 K for the core component. We further extended the size effect on the structure and glasses transition temperature to Cu 64 Zr 36 SSAFs, and revealed that the T g decreases when SSAFs becomes thinner due to the following factors: different dynamic motion (mean square displacement), different density of core and surface and Cu segregation on the surface of SSAFs. The obtained results here are different from the results for the size effect on atomic structure of nanometer-sized crystalline metallic alloys.

Chamber-core structures for fairing acoustic mitigation

NASA Astrophysics Data System (ADS)

Ardelean, Emil; Williams, Andrew; Korshin, Nicholas; Henderson, Kyle; Lane, Steven; Richard, Robert

2005-05-01

Extreme noise and vibration levels at lift-off and during ascent can damage sensitive payload components. Recently, the Air Force Research Laboratory, Space Vehicles Directorate has investigated a composite structure fabrication approach, called chamber-core, for building payload fairings. Chamber-core offers a strong, lightweight structure with inherent noise attenuation characteristics. It uses one-inch square axial tubes that are sandwiched between inner and outer face-sheets to form a cylindrical fairing structure. These hollow tubes can be used as acoustic dampers to attenuate the amplitude response of low frequency acoustic resonances within the fairing"s volume. A cylindrical, graphite-epoxy chamber-core structure was built to study noise transmission characteristics and to quantify the achievable performance improvement. The cylinder was tested in a semi-reverberant acoustics laboratory using bandlimited random noise at sound pressure levels up to 110 dB. The performance was measured using external and internal microphones. The noise reduction was computed as the ratio of the spatially averaged external response to the spatially averaged interior response. The noise reduction provided by the chamber-core cylinder was measured over three bandwidths, 20 Hz to 500 Hz, 20 Hz to 2000 Hz, and 20 Hz to 5000 Hz. For the bare cylinder with no acoustic resonators, the structure provided approximately 13 dB of attenuation over the 20 Hz to 500 Hz bandwidth. With the axial tubes acting as acoustic resonators at various frequencies over the bandwidth, the noise reduction provided by the cylinder increased to 18.2 dB, an overall increase of 4.8 dB over the bandwidth. Narrow-band reductions greater than 10 dB were observed at specific low frequency acoustic resonances. This was accomplished with virtually no added mass to the composite cylinder.

Core–Shell to Doped Quantum Dots: Evolution of the Local Environment Using XAFS

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

Saha, Avijit; Chattopadhyay, Soma; Shibata, Tomohiro

2016-09-30

Internal structure study at an atomic level is a challenging task with far reaching consequences to its material properties, specifically in the field of transition metal doping in quantum dots. Diffusion of transition metal ions in and out of quantum dots forming magnetic clusters has been a major bottleneck in this class of materials. Diffusion of the magnetic ions from the core into the nonmagnetic shell in a core/shell heterostructure architecture to attain uniform doping has been recently introduced and yet to be understood. In this work, we have studied the local structure variation of Fe as a function ofmore » CdS matrix thickness and annealing time during the overcoating of Fe 3O 4 core with CdS using X-ray absorption spectroscopy. The data reveals that Fe 3O 4 core initially forms a core/shell structure with CdS followed by alloying at the interface eventually completely diffusing all the way through the CdS matrix to form homogeneously Fe-doped CdS QDs with excellent control over size and size distribution. Study of Fe K-edge shows a complete change of Fe local environment from Fe–O to FeS.« less

Facet-selective nucleation and conformal epitaxy of Ge shells on Si nanowires

DOE PAGES

Nguyen, Binh -Minh; Swartzentruber, Brian; Ro, Yun Goo; ...

2015-10-08

Knowledge of nanoscale heteroepitaxy is continually evolving as advances in material synthesis reveal new mechanisms that have not been theoretically predicted and are different than what is known about planar structures. In addition to a wide range of potential applications, core/shell nanowire structures offer a useful template to investigate heteroepitaxy at the atomistic scale. We show that the growth of a Ge shell on a Si core can be tuned from the theoretically predicted island growth mode to a conformal, crystalline, and smooth shell by careful adjustment of growth parameters in a narrow growth window that has not been exploredmore » before. In the latter growth mode, Ge adatoms preferentially nucleate islands on the {113} facets of the Si core, which outgrow over the {220} facets. Islands on the low-energy {111} facets appear to have a nucleation delay compared to the {113} islands; however, they eventually coalesce to form a crystalline conformal shell. As a result, synthesis of epitaxial and conformal Si/Ge/Si core/multishell structures enables us to fabricate unique cylindrical ring nanowire field-effect transistors, which we demonstrate to have steeper on/off characteristics than conventional core/shell nanowire transistors.« less

Structure and energetics of extended defects in ice Ih

NASA Astrophysics Data System (ADS)

Silva Junior, Domingos L.; de Koning, Maurice

2012-01-01

We consider the molecular structure and energetics of extended defects in proton-disordered hexagonal ice Ih. Using plane-wave density functional theory (DFT) calculations, we compute the energetics of stacking faults and determine the structure of the 30∘ and 90∘ partial dislocations on the basal plane. Consistent with experimental data, the formation energies of all fully reconstructed stacking faults are found to be very low. This is consistent with the idea that basal-plane glide dislocations in ice Ih are dissociated into partial dislocations separated by an area of stacking fault. For both types of partial dislocation we find a strong tendency toward core reconstruction through pairwise hydrogen-bond reformation. In the case of the 30∘ dislocation, the pairwise hydrogen-bond formation leads to a period-doubling core structure equivalent to that seen in zinc-blende semiconductor crystals. For the 90∘ partial we consider two possible core reconstructions, one in which the periodicity of the structure along the core remains unaltered and another in which it is doubled. The latter is preferred, although the energy difference between both is rather small, so that a coexistence of both reconstructions appears plausible. Our results imply that a mobility theory for dislocations on the basal plane in ice Ih should be based on the idea of reconstructed partial dislocations.

Fine structural features of nanoscale zero-valent iron characterized by spherical aberration corrected scanning transmission electron microscopy (Cs-STEM).

PubMed

Liu, Airong; Zhang, Wei-xian

2014-09-21

An angstrom-resolution physical model of nanoscale zero-valent iron (nZVI) is generated with a combination of spherical aberration corrected scanning transmission electron microscopy (Cs-STEM), selected area electron diffraction (SAED), energy-dispersive X-ray spectroscopy (EDS) and electron energy-loss spectroscopy (EELS) on the Fe L-edge. Bright-field (BF), high-angle annular dark-field (HAADF) and secondary electron (SE) imaging of nZVI acquired by a Hitachi HD-2700 STEM show near atomic resolution images and detailed morphological and structural information of nZVI. The STEM-EDS technique confirms that the fresh nZVI comprises of a metallic iron core encapsulated with a thin layer of iron oxides or oxyhydroxides. SAED patterns of the Fe core suggest the polycrystalline structure in the metallic core and amorphous nature of the oxide layer. Furthermore, Fe L-edge of EELS shows varied structural features from the innermost Fe core to the outer oxide shell. A qualitative analysis of the Fe L(2,3) edge fine structures reveals that the shell of nZVI consists of a mixed Fe(II)/Fe(III) phase close to the Fe (0) interface and a predominantly Fe(III) at the outer surface of nZVI.

Analysis of Stainless Steel Sandwich Panels with a Metal Foam Core for Lightweight Fan Blade Design

NASA Technical Reports Server (NTRS)

Min, James B.; Ghosn, Louis J.; Lerch, Bradley A.; Raj, Sai V.; Holland, Frederic A., Jr.; Hebsur, Mohan G.

2004-01-01

The quest for cheap, low density and high performance materials in the design of aircraft and rotorcraft engine fan and propeller blades poses immense challenges to the materials and structural design engineers. The present study investigates the use of a sandwich foam fan blade mae up of solid face sheets and a metal foam core. The face sheets and the metal foam core material were an aerospace grade precipitation hardened 17-4 PH stainless steel with high strength and high toughness. The resulting structures possesses a high stiffness while being lighter than a similar solid construction. The material properties of 17-4 PH metal foam are reviewed briefly to describe the characteristics of sandwich structure for a fan blade application. A vibration analysis for natural frequencies and a detailed stress analysis on the 17-4 PH sandwich foam blade design for different combinations of kin thickness and core volume are presented with a comparison to a solid titanium blade.

Rift Valley fever phlebovirus NSs protein core domain structure suggests molecular basis for nuclear filaments

PubMed Central

Miller, Ona K; Potter, Jane A; Vijayakrishnan, Swetha; Bhella, David; Naismith, James H; Elliott, Richard M

2017-01-01

Rift Valley fever phlebovirus (RVFV) is a clinically and economically important pathogen increasingly likely to cause widespread epidemics. RVFV virulence depends on the interferon antagonist non-structural protein (NSs), which remains poorly characterized. We identified a stable core domain of RVFV NSs (residues 83–248), and solved its crystal structure, a novel all-helical fold organized into highly ordered fibrils. A hallmark of RVFV pathology is NSs filament formation in infected cell nuclei. Recombinant virus encoding the NSs core domain induced intranuclear filaments, suggesting it contains all essential determinants for nuclear translocation and filament formation. Mutations of key crystal fibril interface residues in viruses encoding full-length NSs completely abrogated intranuclear filament formation in infected cells. We propose the fibrillar arrangement of the NSs core domain in crystals reveals the molecular basis of assembly of this key virulence factor in cell nuclei. Our findings have important implications for fundamental understanding of RVFV virulence. PMID:28915104

Rift Valley fever phlebovirus NSs protein core domain structure suggests molecular basis for nuclear filaments.

PubMed

Barski, Michal; Brennan, Benjamin; Miller, Ona K; Potter, Jane A; Vijayakrishnan, Swetha; Bhella, David; Naismith, James H; Elliott, Richard M; Schwarz-Linek, Ulrich

2017-09-15

Rift Valley fever phlebovirus (RVFV) is a clinically and economically important pathogen increasingly likely to cause widespread epidemics. RVFV virulence depends on the interferon antagonist non-structural protein (NSs), which remains poorly characterized. We identified a stable core domain of RVFV NSs (residues 83-248), and solved its crystal structure, a novel all-helical fold organized into highly ordered fibrils. A hallmark of RVFV pathology is NSs filament formation in infected cell nuclei. Recombinant virus encoding the NSs core domain induced intranuclear filaments, suggesting it contains all essential determinants for nuclear translocation and filament formation. Mutations of key crystal fibril interface residues in viruses encoding full-length NSs completely abrogated intranuclear filament formation in infected cells. We propose the fibrillar arrangement of the NSs core domain in crystals reveals the molecular basis of assembly of this key virulence factor in cell nuclei. Our findings have important implications for fundamental understanding of RVFV virulence.

Nano-structured silica coated mesoporous carbon micro-granules for potential application in water filtration

NASA Astrophysics Data System (ADS)

Das, Avik; Sen, D.; Mazumder, S.; Ghosh, A. K.

2017-05-01

A novel nano-composite spherical micro-granule has been synthesized using a facile technique of solvent evaporation induced assembly of nanoparticles for potential application in water filtration. The spherical micro-granule is comprised of nano-structured shell of hydrophilic silica encapsulating a hydrophobic mesoporous carbon at the core. Hierarchical structure of such core-shell micro-granules has been rigorously characterized using small-angle neutron and X-ray scattering techniques and complemented with scanning electron microscopy. The hydrophilic silica envelope around the carbon core helps in incorporation of such granules into the hydrophilic polymeric ultra-filtration membrane. The interstitial micro-pores present in the silica shell can serve as water transport channels and the mesoporus carbon core enhances the separation performance due its well adsorption characteristics. It has been found that the incorporation of such granules inside the ultra-filtration membrane indeed enhances the water permeability as well as the separation performance in a significant way.

Internal structure of vortices in a dipolar spinor Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Borgh, Magnus O.; Lovegrove, Justin; Ruostekoski, Janne

2017-04-01

We demonstrate how dipolar interactions (DI) can have pronounced effects on the structure of vortices in atomic spinor Bose-Einstein condensates and illustrate generic physical principles that apply across dipolar spinor systems. We then find and analyze the cores of singular non-Abelian vortices in a spin-3 52Cr condensate. Using a simpler spin-1 model system, we analyze the underlying dipolar physics and show how a dipolar healing length interacts with the hierarchy of healing lengths of the contact interaction and leads to simple criteria for the core structure: vortex core size is restricted to the shorter spin-dependent healing length when the interactions both favor the ground-state spin condition, but can conversely be enlarged by DI when interactions compete. We further demonstrate manifestations of spin-ordering induced by the DI anisotropy, including DI-dependent angular momentum of nonsingular vortices, as a result of competition with adaptation to rotation, and potentially observable internal vortex-core spin textures. We acknowledge financial support from the EPSRC.

NGC 2548: clumpy spatial and kinematic structure in an intermediate-age Galactic cluster

NASA Astrophysics Data System (ADS)

Vicente, Belén; Sánchez, Néstor; Alfaro, Emilio J.

2016-09-01

NGC 2548 is a ˜400-500 Myr old open cluster with evidence of spatial substructures likely caused by its interaction with the Galactic disc. In this work we use precise astrometric data from the Carte du Ciel - San Fernando (CdC-SF) catalogue to study the clumpy structure in this cluster. We confirm the fragmented structure of NGC 2548 but, additionally, the relatively high precision of our kinematic data lead us to the first detection of substructures in the proper motion space of a stellar cluster. There are three spatially separated cores each of which has its own counterpart in the proper motion distribution. The two main cores lie nearly parallel to the Galactic plane whereas the third one is significantly fainter than the others and it moves towards the Galactic plane separating from the rest of the cluster. We derive core positions and proper motions, as well as the stars belonging to each core.

Tuning electrocatalytic activity of Pt monolayer shell by bimetallic Ir-M (M=Fe, Co, Ni or Cu) cores for the oxygen reduction reaction

DOE PAGES

Kuttiyiel, Kurian A.; Choi, YongMan; Sasaki, Kotaro; ...

2016-05-18

Here, platinum monolayer electrocatalyst are known to exhibit excellent oxygen reduction reaction (ORR) activity depending on the type of substrate used. Here we demonstrate a relationship between the ORR electrocatalytic activity and the surface electronic structure of Pt monolayer shell induced by various IrM bimetallic cores (M=Fe, Co, Ni or Cu). The relationship is rationalized by comparing density functional theory calculations and experimental results. For an efficient Pt monolayer electrocatalyst, the core should induce sufficient contraction to the Pt shell leading to a downshift of the d-band center with respect to the Fermi level. Depending on the structure of themore » IrM, relative to that of pure Ir, this interaction not only alters the electronic and geometric structure but also induces segregation effects. Combined these effects significantly enhance the ORR activities of the Pt monolayer shell on bimetallic Ir cores electrocatalysts.« less

Light-weight sandwich panel honeycomb core with hybrid carbon-glass fiber composite skin for electric vehicle application

NASA Astrophysics Data System (ADS)

Cahyono, Sukmaji Indro; Widodo, Angit; Anwar, Miftahul; Diharjo, Kuncoro; Triyono, Teguh; Hapid, A.; Kaleg, S.

2016-03-01

The carbon fiber reinforced plastic (CFRP) composite is relative high cost material in current manufacturing process of electric vehicle body structure. Sandwich panels consisting polypropylene (PP) honeycomb core with hybrid carbon-glass fiber composite skin were investigated. The aim of present paper was evaluate the flexural properties and bending rigidity of various volume fraction carbon-glass fiber composite skins with the honeycomb core. The flexural properties and cost of panels were compared to the reported values of solid hybrid Carbon/Glass FRP used for the frame body structure of electric vehicle. The finite element model of represented sandwich panel was established to characterize the flexural properties of material using homogenization technique. Finally, simplified model was employed to crashworthiness analysis for engine hood of the body electric vehicle structure. The good cost-electiveness of honeycomb core with hybrid carbon-glass fiber skin has the potential to be used as a light-weight alternative material in body electric vehicle fabricated.

Characterization of core/shell structures based on CdTe and GaAs nanocrystalline layers deposited on SnO2 microwires

NASA Astrophysics Data System (ADS)

Ghimpu, L.; Ursaki, V. V.; Pantazi, A.; Mesterca, R.; Brâncoveanu, O.; Shree, Sindu; Adelung, R.; Tiginyanu, I. M.; Enachescu, M.

2018-04-01

We report the fabrication and characterization of SnO2/CdTe and SnO2/GaAs core/shell microstructures. CdTe or GaAs shell layers were deposited by radio-frequency (RF) magnetron sputtering on core SnO2 microwires synthesized by a flame-based thermal oxidation method. The produced structures were characterized by scanning electron microscopy (SEM), high-resolution scanning transmission electron microscope (HR-STEM), X-ray diffraction (XRD), Raman scattering and FTIR spectroscopy. It was found that the SnO2 core is of the rutile type, while the shells are composed of CdTe or GaAs nanocrystallites of zincblende structure with the dimensions of crystallites in the range of 10-20 nm. The Raman scattering investigations demonstrated that the quality of the porous nanostructured shell is improved by annealing at temperatures of 420-450 °C. The prospects of implementing these microstructures in intrinsic type fiber optic sensors are discussed.

Synthesis, characterization and nitrite ion sensing performance of reclaimable composite samples through a core-shell structure

NASA Astrophysics Data System (ADS)

Cui, Xiao; Yuqing, Zhao; Cui, Jiantao; Zheng, Qian; Bo, Wang

2018-02-01

The following paper reported and discussed a nitrite ion optical sensing platform based on a core-shell structure, using superamagnetic nanoparticles as the core, a silica molecular sieve MCM-41 as the shell and two rhodamine derivatives as probe, respectively. This superamagnetic core made this sensing platform reclaimable after finishing nitrite ion sensing procedure. This sensing platform was carefully characterized by means of electron microscopy images, porous structure analysis, magnetic response, IR spectra and thermal stability analysis. Detailed analysis suggested that the emission of these composite samples was quenchable by nitrite ion, showing emission turn off effect. A static sensing mechanism based on an additive reaction between chemosensors and nitrite ion was proposed. These composite samples followed Demas quenching equation against different nitrite ion concentrations. Limit of detection value was obtained as low as 0.4 μM. It was found that, after being quenched by nitrite ion, these composite samples could be reclaimed and recovered by sulphamic acid, confirming their recyclability.

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: experiment and theory.

PubMed

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-22

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288 eV photon energy, due to absorption to pi* virtual orbitals, and broader structures at higher energy, involving sigma* virtual orbitals. The sharp absorption structures to the pi* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of pi* symmetry, from the six chemically shifted C 1s core orbitals.

Core-shell photoabsorption and photoelectron spectra of gas-phase pentacene: Experiment and theory

NASA Astrophysics Data System (ADS)

Alagia, Michele; Baldacchini, Chiara; Betti, Maria Grazia; Bussolotti, Fabio; Carravetta, Vincenzo; Ekström, Ulf; Mariani, Carlo; Stranges, Stefano

2005-03-01

The C K-edge photoabsorption and 1s core-level photoemission of pentacene (C22H14) free molecules are experimentally measured, and calculated by self-consistent-field and static-exchange approximation ab initio methods. Six nonequivalent C atoms present in the molecule contribute to the C 1s photoemission spectrum. The complex near-edge structures of the carbon K-edge absorption spectrum present two main groups of discrete transitions between 283 and 288eV photon energy, due to absorption to π* virtual orbitals, and broader structures at higher energy, involving σ* virtual orbitals. The sharp absorption structures to the π* empty orbitals lay well below the thresholds for the C 1s ionizations, caused by strong excitonic and localization effects. We can definitely explain the C K-edge absorption spectrum as due to both final (virtual) and initial (core) orbital effects, mainly involving excitations to the two lowest-unoccupied molecular orbitals of π* symmetry, from the six chemically shifted C 1s core orbitals.

Re-refinement of the spliceosomal U4 snRNP core-domain structure

PubMed Central

Li, Jade; Leung, Adelaine K.; Kondo, Yasushi; Oubridge, Chris; Nagai, Kiyoshi

2016-01-01

The core domain of small nuclear ribonucleoprotein (snRNP), comprised of a ring of seven paralogous proteins bound around a single-stranded RNA sequence, functions as the assembly nucleus in the maturation of U1, U2, U4 and U5 spliceosomal snRNPs. The structure of the human U4 snRNP core domain was initially solved at 3.6 Å resolution by experimental phasing using data with tetartohedral twinning. Molecular replacement from this model followed by density modification using untwinned data recently led to a structure of the minimal U1 snRNP at 3.3 Å resolution. With the latter structure providing a search model for molecular replacement, the U4 core-domain structure has now been re-refined. The U4 Sm site-sequence AAUUUUU has been shown to bind to the seven Sm proteins SmF–SmE–SmG–SmD3–SmB–SmD1–SmD2 in an identical manner as the U1 Sm-site sequence AAUUUGU, except in SmD1 where the bound U replaces G. The progression from the initial to the re-refined structure exemplifies a tortuous route to accuracy: where well diffracting crystals of complex assemblies are initially unavailable, the early model errors are rectified by exploiting preliminary interpretations in further experiments involving homologous structures. New insights are obtained from the more accurate model. PMID:26894541

Genetic diversity and structure of core collection of winter mushroom (Flammulina velutipes) developed by genomic SSR markers.

PubMed

Liu, Xiao Bin; Li, Jing; Yang, Zhu L

2018-01-01

A core collection is a subset of an entire collection that represents as much of the genetic diversity of the entire collection as possible. The establishment of a core collection for crops is practical for efficient management and use of germplasm. However, the establishment of a core collection of mushrooms is still in its infancy, and no established core collection of the economically important species Flammulina velutipes has been reported. We established the first core collection of F. velutipes , containing 32 strains based on 81 genetically different F. veltuipes strains. The allele retention proportion of the core collection for the entire collection was 100%. Moreover, the genetic diversity parameters (the effective number of alleles, Nei's expected heterozygosity, the number of observed heterozygosity, and Shannon's information index) of the core collection showed no significant differences from the entire collection ( p  > 0.01). Thus, the core collection is representative of the genetic diversity of the entire collection. Genetic structure analyses of the core collection revealed that the 32 strains could be clustered into 6 groups, among which groups 1 to 3 were cultivars and groups 4 to 6 were wild strains. The wild strains from different locations harbor their own specific alleles, and were clustered stringently in accordance with their geographic origins. Genetic diversity analyses of the core collection revealed that the wild strains possessed greater genetic diversity than the cultivars. We established the first core collection of F. velutipes in China, which is an important platform for efficient breeding of this mushroom in the future. In addition, the wild strains in the core collection possess favorable agronomic characters and produce unique bioactive compounds, adding value to the platform. More attention should be paid to wild strains in further strain breeding.

Tissue specific mutagenic and carcinogenic responses in NER defective mouse models.

PubMed

Wijnhoven, Susan W P; Hoogervorst, Esther M; de Waard, Harm; van der Horst, Gijsbertus T J; van Steeg, Harry

2007-01-03

Several mouse models with defects in genes encoding components of the nucleotide excision repair (NER) pathway have been developed. In NER two different sub-pathways are known, i.e. transcription-coupled repair (TC-NER) and global-genome repair (GG-NER). A defect in one particular NER protein can lead to a (partial) defect in GG-NER, TC-NER or both. GG-NER defects in mice predispose to cancer, both spontaneous as well as UV-induced. As such these models (Xpa, Xpc and Xpe) recapitulate the human xeroderma pigmentosum (XP) syndrome. Defects in TC-NER in humans are associated with Cockayne syndrome (CS), a disease not linked to tumor development. Mice with TC-NER defects (Csa and Csb) are - except for the skin - not susceptible to develop (carcinogen-induced) tumors. Some NER factors, i.e. XPB, XPD, XPF, XPG and ERCC1 have functions outside NER, like transcription initiation and inter-strand crosslink repair. Deficiencies in these processes in mice lead to very severe phenotypes, like trichothiodystrophy (TTD) or a combination of XP and CS. In most cases these animals have a (very) short life span, display segmental progeria, but do not develop tumors. Here we will overview the available NER-related mouse models and will discuss their phenotypes in terms of (chemical-induced) tissue-specific tumor development, mutagenesis and premature aging features.

TFIIH subunit alterations causing xeroderma pigmentosum and trichothiodystrophy specifically disturb several steps during transcription.

PubMed

Singh, Amita; Compe, Emanuel; Le May, Nicolas; Egly, Jean-Marc

2015-02-05

Mutations in genes encoding the ERCC3 (XPB), ERCC2 (XPD), and GTF2H5 (p8 or TTD-A) subunits of the transcription and DNA-repair factor TFIIH lead to three autosomal-recessive disorders: xeroderma pigmentosum (XP), XP associated with Cockayne syndrome (XP/CS), and trichothiodystrophy (TTD). Although these diseases were originally associated with defects in DNA repair, transcription deficiencies might be also implicated. By using retinoic acid receptor beta isoform 2 (RARB2) as a model in several cells bearing mutations in genes encoding TFIIH subunits, we observed that (1) the recruitment of the TFIIH complex was altered at the activated RARB2 promoter, (2) TFIIH participated in the recruitment of nucleotide excision repair (NER) factors during transcription in a manner different from that observed during NER, and (3) the different TFIIH variants disturbed transcription by having distinct consequences on post-translational modifications of histones, DNA-break induction, DNA demethylation, and gene-loop formation. The transition from heterochromatin to euchromatin was disrupted depending on the variant, illustrating the fact that TFIIH, by contributing to NER factor recruitment, orchestrates chromatin remodeling. The subtle transcriptional differences found between various TFIIH variants thus participate in the phenotypic variability observed among XP, XP/CS, and TTD individuals. Copyright © 2015 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Understanding Xeroderma Pigmentosum Complementation Groups Using Gene Expression Profiling after UV-Light Exposure.

PubMed

Bowden, Nikola A; Beveridge, Natalie J; Ashton, Katie A; Baines, Katherine J; Scott, Rodney J

2015-07-14

Children with the recessive genetic disorder Xeroderma Pigmentosum (XP) have extreme sensitivity to UV-light, a 10,000-fold increase in skin cancers from age 2 and rarely live beyond 30 years. There are seven genetic subgroups of XP, which are all resultant of pathogenic mutations in genes in the nucleotide excision repair (NER) pathway and a XP variant resultant of a mutation in translesion synthesis, POLH. The clinical symptoms and severity of the disease is varied across the subgroups, which does not correlate with the functional position of the affected protein in the NER pathway. The aim of this study was to further understand the biology of XP subgroups, particularly those that manifest with neurological symptoms. Whole genome gene expression profiling of fibroblasts from each XP complementation group was assessed before and after UV-light exposure. The biological pathways with altered gene expression after UV-light exposure were distinct for each subtype and contained oncogenic related functions such as perturbation of cell cycle, apoptosis, proliferation and differentiation. Patients from the subgroups XP-B and XP-F were the only subgroups to have transcripts associated with neuronal activity altered after UV-light exposure. This study will assist in furthering our understanding of the different subtypes of XP which will lead to better diagnosis, treatment and management of the disease.

Understanding Xeroderma Pigmentosum Complementation Groups Using Gene Expression Profiling after UV-Light Exposure

PubMed Central

Bowden, Nikola A.; Beveridge, Natalie J.; Ashton, Katie A.; Baines, Katherine J.; Scott, Rodney J.

2015-01-01

Children with the recessive genetic disorder Xeroderma Pigmentosum (XP) have extreme sensitivity to UV-light, a 10,000-fold increase in skin cancers from age 2 and rarely live beyond 30 years. There are seven genetic subgroups of XP, which are all resultant of pathogenic mutations in genes in the nucleotide excision repair (NER) pathway and a XP variant resultant of a mutation in translesion synthesis, POLH. The clinical symptoms and severity of the disease is varied across the subgroups, which does not correlate with the functional position of the affected protein in the NER pathway. The aim of this study was to further understand the biology of XP subgroups, particularly those that manifest with neurological symptoms. Whole genome gene expression profiling of fibroblasts from each XP complementation group was assessed before and after UV-light exposure. The biological pathways with altered gene expression after UV-light exposure were distinct for each subtype and contained oncogenic related functions such as perturbation of cell cycle, apoptosis, proliferation and differentiation. Patients from the subgroups XP-B and XP-F were the only subgroups to have transcripts associated with neuronal activity altered after UV-light exposure. This study will assist in furthering our understanding of the different subtypes of XP which will lead to better diagnosis, treatment and management of the disease. PMID:26184184

PIC Activation through Functional Interplay between Mediator and TFIIH.

PubMed

Malik, Sohail; Molina, Henrik; Xue, Zhu

2017-01-06

The multiprotein Mediator coactivator complex functions in large part by controlling the formation and function of the promoter-bound preinitiation complex (PIC), which consists of RNA polymerase II and general transcription factors. However, precisely how Mediator impacts the PIC, especially post-recruitment, has remained unclear. Here, we have studied Mediator effects on basal transcription in an in vitro transcription system reconstituted from purified components. Our results reveal a close functional interplay between Mediator and TFIIH in the early stages of PIC development. We find that under conditions when TFIIH is not normally required for transcription, Mediator actually represses transcription. TFIIH, whose recruitment to the PIC is known to be facilitated by the Mediator, then acts to relieve Mediator-induced repression to generate an active form of the PIC. Gel mobility shift analyses of PICs and characterization of TFIIH preparations carrying mutant XPB translocase subunit further indicate that this relief of repression is achieved through expending energy via ATP hydrolysis, suggesting that it is coupled to TFIIH's established promoter melting activity. Our interpretation of these results is that Mediator functions as an assembly factor that facilitates PIC maturation through its various stages. Whereas the overall effect of the Mediator is to stimulate basal transcription, its initial engagement with the PIC generates a transcriptionally inert PIC intermediate, which necessitates energy expenditure to complete the process. Copyright © 2016 Elsevier Ltd. All rights reserved.

Synergistic Exposure of Rice Seeds to Different Doses of γ-Ray and Salinity Stress Resulted in Increased Antioxidant Enzyme Activities and Gene-Specific Modulation of TC-NER Pathway

PubMed Central

Macovei, Anca; Garg, Bharti; Raikwar, Shailendra; Carbonera, Daniela; Bremont, Juan Francisco Jiménez; Gill, Sarvajeet Singh; Tuteja, Narendra

2014-01-01

Recent reports have underlined the potential of gamma (γ)-rays as tools for seed priming, a process used in seed industry to increase seed vigor and to enhance plant tolerance to biotic/abiotic stresses. However, the impact of γ-rays on key aspects of plant metabolism still needs to be carefully evaluated. In the present study, rice seeds were challenged with different doses of γ-rays and grown in absence/presence of NaCl to assess the impact of these treatments on the early stages of plant life. Enhanced germination efficiency associated with increase in radicle and hypocotyl length was observed, while at later stages no increase in plant tolerance to salinity stress was evident. APX, CAT, and GR were enhanced at transcriptional level and in terms of enzyme activity, indicating the activation of antioxidant defence. The profiles of DNA damage accumulation were obtained using SCGE and the implication of TC-NER pathway in DNA damage sensing and repair mechanisms is discussed. OsXPB2, OsXPD, OsTFIIS, and OsTFIIS-like genes showed differential modulation in seedlings and plantlets in response to γ-irradiation and salinity stress. Altogether, the synergistic exposure to γ-rays and NaCl resulted in enhanced oxidative stress and proper activation of antioxidant mechanisms, thus being compatible with plant survival. PMID:24551849

The Transition from Diffuse to Dense Gas in Herschel Dust Emission Maps

NASA Astrophysics Data System (ADS)

Goldsmith, Paul

Dense cores in dark clouds are the sites where young stars form. These regions manifest as relatively small (<0.1pc) pockets of cold and dense gas. If we wish to understand the star formation process, we have to understand the physical conditions in dense cores. This has been a main aim of star formation research in the past decade. Today, we do indeed possess a good knowledge of the density and velocity structure of cores, as well as their chemical evolution and physical lifetime. However, we do not understand well how dense cores form out of the diffuse gas clouds surrounding them. It is crucial that we constrain the relationship between dense cores and their environment: if we only understand dense cores, we may be able to understand how individual stars form --- but we would not know how the star forming dense cores themselves come into existence. We therefore propose to obtain data sets that reveal both dense cores and the clouds containing them in the same map. Based on these maps, we will study how dense cores form out of their natal clouds. Since cores form stars, this knowledge is crucial for the development of a complete theoretical and observational understanding of the formation of stars and their planets, as envisioned in NASA's Strategic Science Plan. Fortunately, existing archival data allow to derive exactly the sort of maps we need for our analysis. Here, we describe a program that exclusively builds on PACS and SPIRE dust emission imaging data from the NASA-supported Herschel mission. The degree-sized wide-field Herschel maps of the nearby (<260pc) Polaris Flare and Aquila Rift clouds are ideal for our work. They permit to resolve dense cores (<0.1pc), while the maps also reveal large-scale cloud structure (5pc and larger). We will generate column density maps from these dust emission maps and then run a tree-based hierarchical multi-scale structure analysis on them. Only this procedure permits to exploit the full potential of the maps: we will characterize cloud structure over a vast range of spatial scales. This work has many advantages over previous studies, where information about dense cores and their environment was pieced together using a variety of methods an instruments. Now, the Herschel maps permit for the first time to characterize both molecular clouds and their cores in one shot in a single data set. We use these data to answer a variety of simple yet very important questions. First, we study whether dense cores have sharp boundaries. If such boundaries exist, they would indicate that dense cores have an individual identity well-separate from the near-fractal cloud structure on larger spatial scales. Second, we will --- in very approximate sense --- derive global density gradients for molecular clouds from radii <0.1pc to 5pc and larger. These "synoptic" density gradients provide a useful quantitative description of the relation between cloud material at very different spatial scales. Also, these measurements can be compared to synoptic density gradients derived in the same fashion for theoretical cloud models. Third, we study how dense cores are nested into the "clumps" forming molecular clouds, i.e., we study whether the most massive dense cores in a cloud (<0.1pc) reside in the most massive regions identified on lager spatial scale (1pc and larger). This will show how the properties of dense cores are influenced by their environment. Our study will derive unique constraints to cloud structure. But our small sample forbids to make strong statements. This pilot study does thus prepare future larger efforts. Our entire project builds on data reduction and analysis methods which our team has used in the past. This guarantees a swift completion of the project with predictable efficiency. We present pilot studies that demonstrate that the data and analysis methods are suited to tackle the science goals. This project is thus guaranteed to return significant results.

Vortex Lattices in the Bose-Fermi Superfluid Mixture.

PubMed

Jiang, Yuzhu; Qi, Ran; Shi, Zhe-Yu; Zhai, Hui

2017-02-24

In this Letter we show that the vortex lattice structure in the Bose-Fermi superfluid mixture can undergo a sequence of structure transitions when the Fermi superfluid is tuned from the BCS regime to the BEC regime. This is due to the difference in the vortex core structure of a Fermi superfluid in the BCS regime and in the BEC regime. In the BCS regime the vortex core is nearly filled, while the density at the vortex core gradually decreases until it empties out in the BEC regime. Therefore, with the density-density interaction between the Bose and the Fermi superfluids, interaction between the two sets of vortex lattices gets stronger in the BEC regime, which yields the structure transition of vortex lattices. In view of the recent realization of this superfluid mixture and vortices therein, our theoretical predication can be verified experimentally in the near future.

Crossover from disordered to core-shell structures of nano-oxide Y{sub 2}O{sub 3} dispersed particles in Fe

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

Higgins, M. P.; Wang, L. M.; Gao, F., E-mail: gaofeium@umich.edu

Molecular dynamic simulations of Y{sub 2}O{sub 3} in bcc Fe and transmission electron microscopy (TEM) observations were used to understand the structure of Y{sub 2}O{sub 3} nano-clusters in an oxide dispersion strengthened steel matrix. The study showed that Y{sub 2}O{sub 3} nano-clusters below 2 nm were completely disordered. Y{sub 2}O{sub 3} nano-clusters above 2 nm, however, form a core-shell structure, with a shell thickness of 0.5–0.7 nm that is independent of nano-cluster size. Y{sub 2}O{sub 3} nano-clusters were surrounded by off-lattice Fe atoms, further increasing the stability of these nano-clusters. TEM was used to corroborate our simulation results and showed a crossover frommore » a disordered nano-cluster to a core-shell structure.« less

Crystal structure of plant photosystem I

NASA Astrophysics Data System (ADS)

Ben-Shem, Adam; Frolow, Felix; Nelson, Nathan

2003-12-01

Oxygenic photosynthesis is the principal producer of both oxygen and organic matter on Earth. The conversion of sunlight into chemical energy is driven by two multisubunit membrane protein complexes named photosystem I and II. We determined the crystal structure of the complete photosystem I (PSI) from a higher plant (Pisum sativum var. alaska) to 4.4Å resolution. Its intricate structure shows 12 core subunits, 4 different light-harvesting membrane proteins (LHCI) assembled in a half-moon shape on one side of the core, 45 transmembrane helices, 167 chlorophylls, 3 Fe-S clusters and 2 phylloquinones. About 20 chlorophylls are positioned in strategic locations in the cleft between LHCI and the core. This structure provides a framework for exploration not only of energy and electron transfer but also of the evolutionary forces that shaped the photosynthetic apparatus of terrestrial plants after the divergence of chloroplasts from marine cyanobacteria one billion years ago.

In Search of Functional Advantages of Knots in Proteins.

PubMed

Dabrowski-Tumanski, Pawel; Stasiak, Andrzej; Sulkowska, Joanna I

2016-01-01

We analysed the structure of deeply knotted proteins representing three unrelated families of knotted proteins. We looked at the correlation between positions of knotted cores in these proteins and such local structural characteristics as the number of intra-chain contacts, structural stability and solvent accessibility. We observed that the knotted cores and especially their borders showed strong enrichment in the number of contacts. These regions showed also increased thermal stability, whereas their solvent accessibility was decreased. Interestingly, the active sites within these knotted proteins preferentially located in the regions with increased number of contacts that also have increased thermal stability and decreased solvent accessibility. Our results suggest that knotting of polypeptide chains provides a favourable environment for the active sites observed in knotted proteins. Some knotted proteins have homologues without a knot. Interestingly, these unknotted homologues form local entanglements that retain structural characteristics of the knotted cores.

Ligand-Mediated Ring → Cube Transformation in a Catalytic Subnanocluster: Co4O4(MeCN)n with n = 1-6.

PubMed

Luo, Sijie; Dibble, Collin J; Duncan, Michael A; Truhlar, Donald G

2014-08-07

We studied the Co4O4 subnanocluster and its MeCN-coated species using density functional theory, and we found that the Co4O4 core presents distinctive structures in bare and ligand-coated species. We propose a possible ligand-mediated ring → cube transformation mechanism during the ligand-coating process of the Co4O4 core due to the stronger binding energies of the MeCN ligands to the 3D distorted cube structure than to the 2D ring and ladder structures; theory indicates that three ligands are sufficient to stabilize the cube structure. Both ring and cube structures are ferromagnetic. Our finding is potentially useful for understanding the catalysis mechanism of Co4O4 species, which have important applications in solar energy conversion and water splitting; these catalysis reactions usually involve frequent addition and subtraction of various ligands and thus possibly involve core rearrangement processes similar to our findings.

Metamorphic core complexes: Expression of crustal extension by ductile-brittle shearing of the geologic column

NASA Technical Reports Server (NTRS)

Davis, G. H.

1985-01-01

Metamorphic core complexes and detachment fault terranes in the American Southwest are products of stretching of continental crust in the Tertiary. The physical and geometric properties of the structures, fault rocks, and contact relationships that developed as a consequence of the extension are especially well displayed in southeastern Arizona. The structures and fault rocks, as a system, reflect a ductile-through-brittle continuum of deformation, with individual structures and faults rocks showing remarkably coordinated strain and displacement patterns. Careful mapping and analysis of the structural system has led to the realization that strain and displacement were partitioned across a host of structures, through a spectrum of scales, in rocks of progressively changing rheology. By integrating observations made in different parts of the extensional system, especially at different inferred depth levels, it has been possible to construct a descriptive/kinematic model of the progressive deformation that achieved continental crustal extension in general, and the development of metamorphic core complexes in particular.

Insights into Fanconi Anaemia from the structure of human FANCE

PubMed Central

Nookala, Ravi K.; Hussain, Shobbir; Pellegrini, Luca

2007-01-01

Fanconi Anaemia (FA) is a cancer predisposition disorder characterized by spontaneous chromosome breakage and high cellular sensitivity to genotoxic agents. In response to DNA damage, a multi-subunit assembly of FA proteins, the FA core complex, monoubiquitinates the downstream FANCD2 protein. The FANCE protein plays an essential role in the FA process of DNA repair as the FANCD2-binding component of the FA core complex. Here we report a crystallographic and biological study of human FANCE. The first structure of a FA protein reveals the presence of a repeated helical motif that provides a template for the structural rationalization of other proteins defective in Fanconi Anaemia. The portion of FANCE defined by our crystallographic analysis is sufficient for interaction with FANCD2, yielding structural information into the mode of FANCD2 recruitment to the FA core complex. Disease-associated mutations disrupt the FANCE–FANCD2 interaction, providing structural insight into the molecular mechanisms of FA pathogenesis. PMID:17308347

MC carbide structures in M(lc2)ar-M247. M.S. Thesis - Final Report

NASA Technical Reports Server (NTRS)

Wawro, S. W.

1982-01-01

The morphologies and distribution of the MC carbides in Mar-M247 ingot stock and castings were investigated using metallographic, X-ray diffraction and energy-dispersive X-ray analysis techniques. The MC carbides were found to form script structures during solidification. The script structures were composed of three distinct parts. The central cores and elongated arms of the MC carbide script structures had compositions (Ti, Cr, Hf, Ta, W)C and lattice parameters of 4.39 A. The elongated script arms terminated in enlarged, angular "heads". The heads had compositions (Ti, Hf, Ta, W)C and lattice parameters of approximately 4.50 A. The heads had a higher Hf content than the cores and arms. The size of the script structures, as well as the relative amount of head-type to core and arm-type MC carbide, was found to be determined by solidification conditions. No carryover of the MC carbides from the ingot stock to the remelted and cast material was observed.

Structural Analysis of Cubane-Type Iron Clusters

PubMed Central

Tan, Lay Ling; Holm, R. H.; Lee, Sonny C.

2013-01-01

The generalized cluster type [M4(μ3-Q)4Ln]x contains the cubane-type [M4Q4]z core unit that can approach, but typically deviates from, perfect Td symmetry. The geometric properties of this structure have been analyzed with reference to Td symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M4, Q4) and the total [M4Q4] core (as a tetracapped M4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe4Q4] (Q = S2−, Se2−, Te2−, [NPR3]−, [NR]2−) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information. PMID:24072952

Structural Analysis of Cubane-Type Iron Clusters.

PubMed

Tan, Lay Ling; Holm, R H; Lee, Sonny C

2013-07-13

The generalized cluster type [M 4 (μ 3 -Q) 4 L n ] x contains the cubane-type [M 4 Q 4 ] z core unit that can approach, but typically deviates from, perfect T d symmetry. The geometric properties of this structure have been analyzed with reference to T d symmetry by a new protocol. Using coordinates of M and Q atoms, expressions have been derived for interatomic separations, bond angles, and volumes of tetrahedral core units (M 4 , Q 4 ) and the total [M 4 Q 4 ] core (as a tetracapped M 4 tetrahedron). Values for structural parameters have been calculated from observed average values for a given cluster type. Comparison of calculated and observed values measures the extent of deviation of a given parameter from that required in an exact tetrahedral structure. The procedure has been applied to the structures of over 130 clusters containing [Fe 4 Q 4 ] (Q = S 2- , Se 2- , Te 2- , [NPR 3 ] - , [NR] 2- ) units, of which synthetic and biological sulfide-bridged clusters constitute the largest subset. General structural features and trends in structural parameters are identified and summarized. An extensive database of structural properties (distances, angles, volumes) has been compiled in Supporting Information.

Properties of iron under core conditions

NASA Astrophysics Data System (ADS)

Brown, J. M.

2003-04-01

Underlying an understanding of the geodynamo and evolution of the core is knowledge of the physical and chemical properties of iron and iron mixtures under high pressure and temperature conditions. Key properties include the viscosity of the fluid outer core, thermal diffusivity, equations-of-state, elastic properties of solid phases, and phase equilibria for iron and iron-dominated mixtures. As is expected for work that continues to tax technological and intellectual limits, controversy has followed both experimental and theoretical progress in this field. However, estimates for the melting temperature of the inner core show convergence and the equation-of-state for iron as determined in independent experiments and theories are in remarkable accord. Furthermore, although the structure and elastic properties of the solid inner-core phase remains uncertain, theoretical and experimental underpinnings are better understood and substantial progress is likely in the near future. This talk will focus on an identification of properties that are reasonably well known and those that merit further detailed study. In particular, both theoretical and experimental (static and shock wave) determinations of the density of iron under extreme conditions are in agreement at the 1% or better level. The behavior of the Gruneisen parameter (which determines the geothermal gradient and controls much of the outer core heat flux) is constrained by experiment and theory under core conditions for both solid and liquid phases. Recent experiments and theory are suggestive of structure or structures other than the high-pressure hexagonal close-packed (HCP) phase. Various theories and experiments for the elasticity of HCP iron remain in poor accord. Uncontroversial constraints on core chemistry will likely never be possible. However, reasonable bounds are possible on the basis of seismic profiles, geochemical arguments, and determinations of sound velocities and densities at high pressure and temperature.

Toward a mineral physics reference model for the Moon's core.

PubMed

Antonangeli, Daniele; Morard, Guillaume; Schmerr, Nicholas C; Komabayashi, Tetsuya; Krisch, Michael; Fiquet, Guillaume; Fei, Yingwei

2015-03-31

The physical properties of iron (Fe) at high pressure and high temperature are crucial for understanding the chemical composition, evolution, and dynamics of planetary interiors. Indeed, the inner structures of the telluric planets all share a similar layered nature: a central metallic core composed mostly of iron, surrounded by a silicate mantle, and a thin, chemically differentiated crust. To date, most studies of iron have focused on the hexagonal closed packed (hcp, or ε) phase, as ε-Fe is likely stable across the pressure and temperature conditions of Earth's core. However, at the more moderate pressures characteristic of the cores of smaller planetary bodies, such as the Moon, Mercury, or Mars, iron takes on a face-centered cubic (fcc, or γ) structure. Here we present compressional and shear wave sound velocity and density measurements of γ-Fe at high pressures and high temperatures, which are needed to develop accurate seismic models of planetary interiors. Our results indicate that the seismic velocities proposed for the Moon's inner core by a recent reanalysis of Apollo seismic data are well below those of γ-Fe. Our dataset thus provides strong constraints to seismic models of the lunar core and cores of small telluric planets. This allows us to propose a direct compositional and velocity model for the Moon's core.

Electronic and Optical Properties of Core/Shell Pb16X16/Cd52X52 (X =S, Se, Te) Quantum Dots

NASA Astrophysics Data System (ADS)

Tamukong, Patrick; Mayo, Michael; Kilina, Svetlana

2015-03-01

The electronic and optoelectronic properties of semiconductor quantum dots (QDs) are mediated by surface defects due to the presence of dangling bonds producing trap states within the HOMO-LUMO energy gap, and contributing to fluorescence quenching. Surface capping ligands are generally used to alleviate this problem and increase the quantum yields of QDs. An alternative way is to synthesize core-shell QD structures; i.e., a QD core with a shell of another semiconductor material. We have investigated the effects of Cd52X52 shells on the photoexcited dynamics of Pb16X16 (X =S, Se, Te) QDs. The thin (~ 0.50 nm) shells were found to result largely in type I core/shell structures and a blue shift of the absorption spectra. Our studies revealed fairly strong core-shell hybridization in the electronic states close to the conduction band (CB) edge for Pb16S16andPb16Se16 cores, whereas for the Pb16Te16 core, such CB states were largely shell-like in nature. Nonadiabatic DFT-based dynamics, coupled with the surface hopping method, was used to study the effects of the core and shell compositions on energy relaxation rates in these systems.

The effects of the chemical composition and strain on the electronic properties of GaSb/InAs core-shell nanowires

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

Ning, Feng; Wang, Dan; Tang, Li-Ming, E-mail: lmtang@hnu.edu.cn

2014-09-07

The effects of the chemical composition and strain on the electronic properties of [111] zinc-blende (ZB) and [0001] wurtzite (WZ) GaSb/InAs core-shell nanowires (NWs) with different core diameters and shell thicknesses are studied using first-principles methods. The band structures of the [111] ZB GaSb/InAs core-shell NWs underwent a noticeable type-I/II band alignment transition, associated with a direct-to-indirect band gap transition under a compressive uniaxial strain. The band structures of the [0001] WZ GaSb/InAs core-shell NWs preserved the direct band gap under either compressive or tensile uniaxial strains. In addition, the band gaps and the effective masses of the carriers couldmore » be tuned by their composition. For the core-shell NWs with a fixed GaSb-core size, the band gaps decreased linearly with an increasing InAs-shell thickness, caused by the significant downshift of the conduction bands. For the [111] ZB GaSb/InAs core-shell NWs, the calculated effective masses indicated that the transport properties could be changed from hole-dominated conduction to electron-dominated conduction by changing the InAs-shell thickness.« less

Tracer and hydrometric study of preferential flow in large undisturbed soil cores from the Georgia Piedmont, USA

USGS Publications Warehouse

McIntosh, Janice; McDonnell, Jeffrey J.; Peters, Norman E.

1999-01-01

We studied the temporal patterns of tracer throughput in the outflow of large (30 cm diameter by 38 cm long) undisturbed cores from the Panola Mountain Research Watershed, Georgia. Tracer breakthrough was affected by soil structure and rainfall intensity. Two rainfall intensities (20 and 40 mm hr-1) for separate Cl- and Br- amended solutions were applied to two cores (one extracted from a hillslope soil and one extracted from a residual clay soil on the ridge). For both low and high rainfall intensity experiments, preferential flow occurred in the clay core, but not in the hillslope core. The preferential flow is attributed to well-developed interpedal macrochannels that are commonly found in structured clay soils, characteristic of the ridge site. However, each rainfall intensity exceeded the matrix infiltration capacity at the top of the hillslope core, but did not exceed the matrix infiltration capacity at the middle and bottom of the hillslope core and at all levels in the clay core. Localized zones of saturation created when rainfall intensity exceeds the matrix infiltration capacity may cause water and tracer to overflow from the matrix into macrochannels, where preferential flow occurs to depth in otherwise unsaturated soil. Copyright © 1999 John Wiley & Sons, Ltd.

Muscle spindles exhibit core lesions and extensive degeneration of intrafusal fibers in the Ryr1{sup I4895T/wt} mouse model of core myopathy

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

Zvaritch, Elena; MacLennan, David H., E-mail: david.maclennan@utoronto.ca

Muscle spindles from the hind limb muscles of adult Ryr1{sup I4895T/wt} (IT/+) mice exhibit severe structural abnormalities. Up to 85% of the spindles are separated from skeletal muscle fascicles by a thick layer of connective tissue. Many intrafusal fibers exhibit degeneration, with Z-line streaming, compaction and collapse of myofibrillar bundles, mitochondrial clumping, nuclear shrinkage and pyknosis. The lesions resemble cores observed in the extrafusal myofibers of this animal model and of core myopathy patients. Spindle abnormalities precede those in extrafusal fibers, indicating that they are a primary pathological feature in this murine Ryr1-related core myopathy. Muscle spindle involvement, if confirmedmore » for human core myopathy patients, would provide an explanation for an array of devastating clinical features characteristic of these diseases and provide novel insights into the pathology of RYR1-related myopathies. - Highlights: • Muscle spindles exhibit structural abnormalities in a mouse model of core myopathy. • Myofibrillar collapse and mitochondrial clumping is observed in intrafusal fibers. • Myofibrillar degeneration follows a pattern similar to core formation in extrafusal myofibers. • Muscle spindle abnormalities are a part of the pathological phenotype in the mouse model of core myopathy. • Direct involvement of muscle spindles in the pathology of human RYR1-related myopathies is proposed.« less

Development of SiO2@TiO2 core-shell nanospheres for catalytic applications

NASA Astrophysics Data System (ADS)

Kitsou, I.; Panagopoulos, P.; Maggos, Th.; Arkas, M.; Tsetsekou, A.

2018-05-01

Silica-titania core-shell nanospheres, CSNp, were prepared via a simple and environmentally friendly two step route. First, silica cores were prepared through the hydrolysis-condensation reaction of silicic acid in the presence of hyperbranched poly(ethylene)imine (HBPEI) followed by repeating washing, centrifugation and, finally, calcination steps. To create the core-shell structure, various amounts of titanium isopropoxide were added to the cores and after that a HBPEI-water solution was added to hydrolyze the titanium precursor. Washing with ethanol and heat treatment followed. The optimization of processing parameters led to well-developed core-shell structures bearing a homogeneous nanocrystalline anatase coating over each silica core. The photocatalytic activity for NO was examined in a continuous flux photocatalytic reactor under real environmental conditions. The results revealed a very potent photocatalyst as the degradation percentage reached 84.27% for the core-shell material compared to the 82% of pure titania with the photodecomposition rates measured at 0.62 and 0.55 μg·m-2·s-1, respectively. In addition, catalytic activities of the CSNp and pure titania were investigated by monitoring the reduction of 4-nitrophenol to 4-aminophenol by an excess of NaBH4. Both materials exhibited excellent catalytic activity (100%), making the core-shell material a promising alternative catalyst to pure titania for various applications.

Generator stator core vent duct spacer posts

DOEpatents

Griffith, John Wesley; Tong, Wei

2003-06-24

Generator stator cores are constructed by stacking many layers of magnetic laminations. Ventilation ducts may be inserted between these layers by inserting spacers into the core stack. The ventilation ducts allow for the passage of cooling gas through the core during operation. The spacers or spacer posts are positioned between groups of the magnetic laminations to define the ventilation ducts. The spacer posts are secured with longitudinal axes thereof substantially parallel to the core axis. With this structure, core tightness can be assured while maximizing ventilation duct cross section for gas flow and minimizing magnetic loss in the spacers.

Robust and Stable Cu Nanowire@Graphene Core-Shell Aerogels for Ultraeffective Electromagnetic Interference Shielding.

PubMed

Wu, Shiting; Zou, Mingchu; Li, Zhencheng; Chen, Daqin; Zhang, Hui; Yuan, Yongjun; Pei, Yongmao; Cao, Anyuan

2018-06-01

Cu nanowires (CuNWs) are considered as a promising candidate to develop high performance metal aerogels, yet the construction of robust and stable 3D porous structures remains challenging which severely limits their practical applications. Here, graphene-hybridized CuNW (CuNW@G) core-shell aerogels are fabricated by introducing a conformal polymeric coating and in situ transforming it into multilayered graphene seamlessly wrapped around individual CuNWs through a mild thermal annealing process. The existence of the outer graphene shell reinforces the 3D bulk structure and significantly slows down the oxidation process of CuNWs, resulting in improved mechanical property and highly stable electrical conductivity. When applied in electromagnetic interference shielding, the CuNW@G core-shell aerogels exhibit an average effectiveness of ≈52.5 dB over a wide range (from 8.2 to 18 GHz) with negligible degradation under ambient conditions for 40 d. Mechanism analysis reveals that the graphene shell with functional groups enables dual reflections on the core-shell and a multiple dielectric relaxation process, leading to enhanced dielectric loss and energy dissipation within the core-shell aerogels. The flexible core-shell-structured CuNW@G aerogels, with superior mechanical robustness and electrical stability, have potential applications in many areas such as advanced energy devices and functional composites. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earth's core

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

Fischer, Rebecca A; Campbell, Andrew J; Caracas, Razvan

2016-07-29

The outer core of the Earth contains several weight percent of one or more unknown light elements, which may include silicon. Therefore it is critical to understand the high pressure–temperature properties and behavior of an iron–silicon alloy with a geophysically relevant composition (16 wt% silicon). We experimentally determined the melting curve, subsolidus phase diagram, and equations of state of all phases of Fe–16 wt%Si to 140 GPa, finding a conversion from the D0 3 crystal structure to a B2+hcp mixture at high pressures. The melting curve implies that 3520 K is a minimum temperature for the Earth's outer core, ifmore » it consists solely of Fe–Si alloy, and that the eutectic composition in the Fe–Si system is less than 16 wt% silicon at core–mantle boundary conditions. Comparing our new equation of state to that of iron and the density of the core, we find that for an Fe–Ni–Si outer core, 11.3±1.5 wt% silicon would be required to match the core's observed density at the core–mantle boundary. We have also performed first-principles calculations of the equations of state of Fe 3Si with the D0 3 structure, hcp iron, and FeSi with the B2 structure using density-functional theory.« less

Designing of luminescent GdPO4:Eu@LaPO4@SiO2 core/shell nanorods: Synthesis, structural and luminescence properties

NASA Astrophysics Data System (ADS)

Ansari, Anees A.; Labis, Joselito P.; Aslam Manthrammel, M.

2017-09-01

GdPO4:Eu3+ (core) and GdPO4:Eu@LaPO4 (core/shell) nanorods (NRs) were successfully prepared by urea based co-precipitation process at ambient conditions which was followed by coating with amorphous silica shell via the sol-gel chemical route. The role of surface coating on the crystal structure, crystallinity, morphology, solubility, surface chemistry and luminescence properties were well investigated by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray (EDX) analysis, Fourier Transform Infrared (FTIR), UV-Vis, and photoluminescence spectroscopy. XRD pattern revealed highly purified, well-crystalline, single phase-hexagonal-rhabdophane structure of GdPO4 crystal. The TEM micrographs exhibited highly crystalline and narrow size distributed rod-shaped GdPO4:Eu3+ nanostructures with average width 14-16 nm and typical length 190-220 nm. FTIR spectra revealed characteristic infrared absorption bands of amorphous silica. High absorbance in a visible region of silica modified core/shell/Si NRs in aqueous environment suggests the high solubility along with colloidal stability. The photoluminescence properties were remarkably enhanced after growth of undoped LaPO4 layers due to the reduction of nonradiative transition rate. The advantages of presented high emission intensity and high solubility of core/shell and core/shell/Si NRs indicated the potential applications in monitoring biological events.

One-Seeded Fruits in the Core Caryophyllales: Their Origin and Structural Diversity

PubMed Central

Sukhorukov, Alexander P.; Mavrodiev, Evgeny V.; Struwig, Madeleen; Nilova, Maya V.; Dzhalilova, Khalima Kh.; Balandin, Sergey A.; Erst, Andrey; Krinitsyna, Anastasiya A.

2015-01-01

The core Caryophyllales consist of approximately 30 families (12 000 species) distributed worldwide. Many members evolved one-seeded or conjoined fruits, but their origin and structural diversity have not been investigated. A comparative anatomical investigation of the one-seeded fruits within the core Caryophyllales was conducted. The origin of the one-seeded fruits and the evolutionary reconstructions of some carpological characters were traced using a tree based on rbcl and matK data in order to understand the ancestral characters and their changes. The one-seeded fruit type is inferred to be an ancestral character state in core Caryophyllales, with a subsequent increase in the seed number seen in all major clades. Most representatives of the ‘Earlier Diverging’ clade are distinguished in various carpological traits. The organization of the pericarp is diverse in many groups, although fruits with a dry, many-layered pericarp, consisting of sclerenchyma as outer layers and a thin-walled parenchyma below, with seeds occupying a vertical embryo position, are likely ancestral character states in the core Caryophyllales clade. Several carpological peculiarities in fruit and seed structure were discovered in obligate one-seeded Achatocarpaceae, Chenopodiaceae, Nyctaginaceae, Seguieriaceae and Sarcobataceae. The horizontal embryo evolved in only certain groups of Chenopodiaceae. The bar-thickening of endotegmen cells appears to be an additional character typical of core Caryophyllales. The syncarpy-to-lysicarpy paradigm in Caryophyllaceae needs to be reinterpreted. PMID:25710481