Sample records for methods electronic supplementary

  1. Computing the Effects of Strain on Electronic States: A Survey of Methods and Issues

    DTIC Science & Technology

    2012-12-01

    DISTRIBUTION/AVAILABILITY STATEMENT Approved for public release; distribution is unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT We present a...lays the foundations for first-principles approaches, including discussion of spin-orbit coupling. Section 3 presents an overview of empirical...addition and removal energies of the independent-electron approximation. For simplicity, the energy levels in the figure have been presented as if they

  2. Application of the PM6 method to modeling the solid state

    PubMed Central

    2008-01-01

    The applicability of the recently developed PM6 method for modeling various properties of a wide range of organic and inorganic crystalline solids has been investigated. Although the geometries of most systems examined were reproduced with good accuracy, severe errors were found in the predicted structures of a small number of solids. The origin of these errors was investigated, and a strategy for improving the method proposed. Figure Detail of Structure of Dihydrogen Phosphate in KH2PO4 (upper pair) and in (CH3)4NH2PO4. (Footnote): X-ray structures on left, PM6 structure on right. Electronic supplementary material The online version of this article (doi:10.1007/s00894-008-0299-7) contains supplementary material, which is available to authorized users. PMID:18449579

  3. 76 FR 51993 - Draft Guidance for Industry on Standards for Clinical Trial Imaging Endpoints; Availability

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-08-19

    ... assist the office in processing your requests. See the SUPPLEMENTARY INFORMATION section for electronic... considerations for standardization of image acquisition, image interpretation methods, and other procedures to help ensure imaging data quality. The draft guidance describes two categories of image acquisition and...

  4. “Forward Genetics” as a Method to Maximize Power and Cost-Efficiency in Studies of Human Complex Traits

    PubMed Central

    Derks, E. M.; Dolan, C. V.; Kahn, R. S.; Ophoff, R. A.

    2010-01-01

    There is increasing interest in methods to disentangle the relationship between genotype and (endo)phenotypes in human complex traits. We present a population-based method of increasing the power and cost-efficiency of studies by selecting random individuals with a particular genotype and then assessing the accompanying quantitative phenotypes. Using statistical derivations, power- and cost graphs we show that such a “forward genetics” approach can lead to a marked reduction in sample size and costs. This approach is particularly apt for implementing in epidemiological studies for which DNA is already available but the phenotyping costs are high. Electronic supplementary material The online version of this article (doi:10.1007/s10519-010-9348-y) contains supplementary material, which is available to authorized users. PMID:20232132

  5. A comparison of results of empirical studies of supplementary search techniques and recommendations in review methodology handbooks: a methodological review.

    PubMed

    Cooper, Chris; Booth, Andrew; Britten, Nicky; Garside, Ruth

    2017-11-28

    The purpose and contribution of supplementary search methods in systematic reviews is increasingly acknowledged. Numerous studies have demonstrated their potential in identifying studies or study data that would have been missed by bibliographic database searching alone. What is less certain is how supplementary search methods actually work, how they are applied, and the consequent advantages, disadvantages and resource implications of each search method. The aim of this study is to compare current practice in using supplementary search methods with methodological guidance. Four methodological handbooks in informing systematic review practice in the UK were read and audited to establish current methodological guidance. Studies evaluating the use of supplementary search methods were identified by searching five bibliographic databases. Studies were included if they (1) reported practical application of a supplementary search method (descriptive) or (2) examined the utility of a supplementary search method (analytical) or (3) identified/explored factors that impact on the utility of a supplementary method, when applied in practice. Thirty-five studies were included in this review in addition to the four methodological handbooks. Studies were published between 1989 and 2016, and dates of publication of the handbooks ranged from 1994 to 2014. Five supplementary search methods were reviewed: contacting study authors, citation chasing, handsearching, searching trial registers and web searching. There is reasonable consistency between recommended best practice (handbooks) and current practice (methodological studies) as it relates to the application of supplementary search methods. The methodological studies provide useful information on the effectiveness of the supplementary search methods, often seeking to evaluate aspects of the method to improve effectiveness or efficiency. In this way, the studies advance the understanding of the supplementary search methods. Further research is required, however, so that a rational choice can be made about which supplementary search strategies should be used, and when.

  6. 78 FR 34041 - Fisheries of the Caribbean, Gulf of Mexico, and South Atlantic; Comprehensive Fishery Management...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-06

    ..., Office of Sustainable Fisheries, National Marine Fisheries Service. [FR Doc. 2013-13440 Filed 6-5-13; 8..., 2013. The scoping meetings will be held in July 2013. For specific dates and times, see SUPPLEMENTARY..., identified by ``NOAA- NMFS-2013-0093'', by any of the following methods: Electronic Submission: Submit all...

  7. The crystalline sponge method: MOF terminal ligand effects† †Electronic supplementary information (ESI) available: Experimental and crystallographic procedures, and data tables. CCDC 1063685 and 1063686. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cc03840e Click here for additional data file. Click here for additional data file.

    PubMed Central

    Ramadhar, Timothy R.; Zheng, Shao-Liang; Chen, Yu-Sheng

    2015-01-01

    Bromide and chloride analogs of the commonly used zinc iodide-based metal organic framework for the crystalline sponge method were synthesized and evaluated. Inclusion of (1R)-(–)-menthyl acetate into these MOFs was analysed using third-generation synchrotron radiation, and the effects and potential benefits of varying the MOF terminal ligand are discussed. PMID:26081991

  8. 78 FR 34044 - Fisheries of the Caribbean, Gulf of Mexico, and South Atlantic; Comprehensive Fishery Management...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-06

    .... Authority: 16 U.S.C. 1801 et seq. Dated: June 3, 2013. Kara Meckley, Deputy Director, Office of Sustainable..., 2013. The scoping meetings will be held in July 2013. For specific dates and times, see SUPPLEMENTARY..., identified by ``NOAA- NMFS-2013-0092'', by any of the following methods: Electronic Submission: Submit all...

  9. Protein labeling for live cell fluorescence microscopy with a highly photostable renewable signal† †Electronic supplementary information (ESI) available: Supplementary methods, figures, movies, and data. See DOI: 10.1039/c7sc01628j

    PubMed Central

    Bozhanova, Nina G.; Baranov, Mikhail S.; Klementieva, Natalia V.; Sarkisyan, Karen S.; Gavrikov, Alexey S.; Yampolsky, Ilia V.; Zagaynova, Elena V.; Lukyanov, Sergey A.; Lukyanov, Konstantin A.

    2017-01-01

    We present protein-PAINT – the implementation of the general principles of PAINT (Point Accumulation for Imaging in Nanoscale Topography) for live-cell protein labeling. Our method employs the specific binding of cell-permeable fluorogenic dyes to genetically encoded protein tags. We engineered three mutants of the bacterial lipocalin Blc that possess different affinities to a fluorogenic dye and exhibit a strong increase in fluorescence intensity upon binding. This allows for rapid labeling and washout of intracellular targets on a time scale from seconds to a few minutes. We demonstrate an order of magnitude higher photostability of the fluorescence signal in comparison with spectrally similar fluorescent proteins. Protein-PAINT ensures prolonged super-resolution fluorescence microscopy of living cells in both single molecule detection and stimulated emission depletion regimes. PMID:29147545

  10. Theoretical studies on a carbonaceous molecular bearing: association thermodynamics and dual-mode rolling dynamics† †Electronic supplementary information (ESI) available: Supplementary figures, tables and atomic coordinates of representative geometries. See DOI: 10.1039/c5sc00335k

    PubMed Central

    Nakamura, Kosuke; Hitosugi, Shunpei; Sato, Sota; Tokoyama, Hiroaki; Yamakado, Hideo; Ohno, Koichi

    2015-01-01

    The thermodynamics and dynamics of a carbonaceous molecular bearing comprising a belt-persistent tubular molecule and a fullerene molecule have been investigated using density functional theory (DFT). Among ten representative methods, two DFT methods afforded an association energy that reasonably reproduced the experimental enthalpy of –12.5 kcal mol–1 at the unique curved π-interface. The dynamics of the molecular bearing, which was assembled solely with van der Waals interactions, exhibited small energy barriers with maximum values of 2–3 kcal mol–1 for the rolling motions. The dynamic motions responded sensitively to the steric environment and resulted in two distinct motions, precession and spin, which explained the unique NMR observations that were not clarified in previous experimental studies. PMID:29142679

  11. 77 FR 10535 - Final Guidances for Industry Describing Product-Specific Bioequivalence Recommendations...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-22

    ... office in processing your requests. See the SUPPLEMENTARY INFORMATION section for electronic access to... Standish Pl., Rockville, MD 20855, 240-276-8608. SUPPLEMENTARY INFORMATION: I. Background In the Federal... Bitartrate C Cephalexin Ciprofloxacin D Desmopressin Acetate E Eletriptan HBr F Fenoprofen Calcium...

  12. 75 FR 36122 - Proposed Information Collection Request Submitted for Public Comment and Recommendations...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-24

    ... collection related to the 30 CFR 75.1716, 75.1716-1 and 75.1716-3. DATES: All comments must be received by...). SUPPLEMENTARY INFORMATION: I. Background Title 30 CFR 75.1716, 75.1716-1 and 75.1716-3 require operators of... with the rule title and may be submitted to MSHA by any of the following methods: (1) Electronic mail...

  13. Proposed Standards for Medical Education Submissions to the Journal of General Internal Medicine

    PubMed Central

    Bowen, Judith L.; Gerrity, Martha S.; Kalet, Adina L.; Kogan, Jennifer R.; Spickard, Anderson; Wayne, Diane B.

    2008-01-01

    To help authors design rigorous studies and prepare clear and informative manuscripts, improve the transparency of editorial decisions, and raise the bar on educational scholarship, the Deputy Editors of the Journal of General Internal Medicine articulate standards for medical education submissions to the Journal. General standards include: (1) quality questions, (2) quality methods to match the questions, (3) insightful interpretation of findings, (4) transparent, unbiased reporting, and (5) attention to human subjects’ protection and ethical research conduct. Additional standards for specific study types are described. We hope these proposed standards will generate discussion that will foster their continued evolution. Electronic supplementary material The online version of this article (doi:10.1007/s11606-008-0676-z) contains supplementary material, which is available to authorized users. PMID:18612716

  14. Logic Nanocells Within 3-Terminal Ordered Arrays

    DTIC Science & Technology

    2007-02-28

    DISTRIBUTION/AVAILABILITY STATEMENT DISTRIBUTION STATEMEN A: UNLIMITED AFRL- SR -AR-TR-07-0494 13. SUPPLEMENTARY NOTES 14. ABSTRACT ON SEPARATE SHEET... sputter -coating a 200 nm Au layer. Molecular grafting. Compounds 1, 2 and 3 were synthesized according to literature methods.24 26 The synthesis of 4...neutral (no counter ions ). In order to facilitate molecular conduction, the molecule was designed to be small and contain a continuous Tr-electron system

  15. Use and mis-use of supplementary material in science publications.

    PubMed

    Pop, Mihai; Salzberg, Steven L

    2015-11-03

    Supplementary material is a ubiquitous feature of scientific articles, particularly in journals that limit the length of the articles. While the judicious use of supplementary material can improve the readability of scientific articles, its excessive use threatens the scientific review process and by extension the integrity of the scientific literature. In many cases supplementary material today is so extensive that it is reviewed superficially or not at all. Furthermore, citations buried within supplementary files rob other scientists of recognition of their contribution to the scientific record. These issues are exacerbated by the lack of guidance on the use of supplementary information from the journals to authors and reviewers. We propose that the removal of artificial length restrictions plus the use of interactive features made possible by modern electronic media can help to alleviate these problems. Many journals, in fact, have already removed article length limitations (as is the case for BMC Bioinformatics and other BioMed Central journals). We hope that the issues raised in our article will encourage publishers and scientists to work together towards a better use of supplementary information in scientific publishing.

  16. The Scottish Structural Proteomics Facility: targets, methods and outputs

    PubMed Central

    Oke, Muse; Carter, Lester G.; Johnson, Kenneth A.; Liu, Huanting; McMahon, Stephen A.; Yan, Xuan; Kerou, Melina; Weikart, Nadine D.; Kadi, Nadia; Sheikh, Md. Arif; Schmelz, Stefan; Dorward, Mark; Zawadzki, Michal; Cozens, Christopher; Falconer, Helen; Powers, Helen; Overton, Ian M.; van Niekerk, C. A. Johannes; Peng, Xu; Patel, Prakash; Garrett, Roger A.; Prangishvili, David; Botting, Catherine H.; Coote, Peter J.; Dryden, David T. F.; Barton, Geoffrey J.; Schwarz-Linek, Ulrich; Challis, Gregory L.; Taylor, Garry L.; White, Malcolm F.

    2010-01-01

    The Scottish Structural Proteomics Facility was funded to develop a laboratory scale approach to high throughput structure determination. The effort was successful in that over 40 structures were determined. These structures and the methods harnessed to obtain them are reported here. This report reflects on the value of automation but also on the continued requirement for a high degree of scientific and technical expertise. The efficiency of the process poses challenges to the current paradigm of structural analysis and publication. In the 5 year period we published ten peer-reviewed papers reporting structural data arising from the pipeline. Nevertheless, the number of structures solved exceeded our ability to analyse and publish each new finding. By reporting the experimental details and depositing the structures we hope to maximize the impact of the project by allowing others to follow up the relevant biology. Electronic supplementary material The online version of this article (doi:10.1007/s10969-010-9090-y) contains supplementary material, which is available to authorized users. PMID:20419351

  17. Automatic rebuilding and optimization of crystallographic structures in the Protein Data Bank

    PubMed Central

    Joosten, Robbie P.; Joosten, Krista; Cohen, Serge X.; Vriend, Gert; Perrakis, Anastassis

    2011-01-01

    Motivation: Macromolecular crystal structures in the Protein Data Bank (PDB) are a key source of structural insight into biological processes. These structures, some >30 years old, were constructed with methods of their era. With PDB_REDO, we aim to automatically optimize these structures to better fit their corresponding experimental data, passing the benefits of new methods in crystallography on to a wide base of non-crystallographer structure users. Results: We developed new algorithms to allow automatic rebuilding and remodeling of main chain peptide bonds and side chains in crystallographic electron density maps, and incorporated these and further enhancements in the PDB_REDO procedure. Applying the updated PDB_REDO to the oldest, but also to some of the newest models in the PDB, corrects existing modeling errors and brings these models to a higher quality, as judged by standard validation methods. Availability and Implementation: The PDB_REDO database and links to all software are available at http://www.cmbi.ru.nl/pdb_redo. Contact: r.joosten@nki.nl; a.perrakis@nki.nl Supplementary Information: Supplementary data are available at Bioinformatics online. PMID:22034521

  18. Large-scale fabrication of single crystalline tin nanowire arrays

    NASA Astrophysics Data System (ADS)

    Luo, Bin; Yang, Dachi; Liang, Minghui; Zhi, Linjie

    2010-09-01

    Large-scale single crystalline tin nanowire arrays with preferred lattice orientation along the [100] direction were fabricated in porous anodic aluminium oxide (AAO) membranes by the electrodeposition method using copper nanorod as a second electrode.Large-scale single crystalline tin nanowire arrays with preferred lattice orientation along the [100] direction were fabricated in porous anodic aluminium oxide (AAO) membranes by the electrodeposition method using copper nanorod as a second electrode. Electronic supplementary information (ESI) available: Experimental details and the information for single crystalline copper nanorods. See DOI: 10.1039/c0nr00206b

  19. Thiol–ene/oxidation tandem reaction under visible light photocatalysis: synthesis of alkyl sulfoxides† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cc05672a

    PubMed Central

    Guerrero-Corella, Andrea; María Martinez-Gualda, Ana; Ahmadi, Fereshteh; Ming, Enrique

    2017-01-01

    The photocatalyzed synthesis of sulfoxides from alkenes and thiols has been carried out using Eosin Y. This is a metal-free method which uses a low catalyst loading, atmospheric oxygen as the oxidant, and visible light conditions (green light). A mechanism has been proposed that is consistent with the experimental results. PMID:28890975

  20. 76 FR 25334 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Maryland

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-04

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9301-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Maryland AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  1. 77 FR 25474 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-30

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9665-2] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

  2. 77 FR 65379 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Wyoming

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-10-26

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9744-2] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Wyoming AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

  3. 76 FR 76971 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-09

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  4. 76 FR 76970 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Montana

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-09

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Montana AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  5. 76 FR 15975 - Cross-Media Electronic Reporting Regulation Authorized Program Revision/Modification Approvals...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-22

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9284-9] Cross-Media Electronic Reporting Regulation... (EPA). ACTION: Notice. SUMMARY: This notice announces EPA's approval, under regulations for Cross-Media..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  6. 76 FR 76971 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Indiana

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-12-09

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-5] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Indiana AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  7. 78 FR 32386 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-30

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9818-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

  8. 78 FR 35030 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Nevada

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-11

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9823-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Nevada AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  9. Robert Merle d’Aubigné, 1900–1989

    PubMed Central

    Biau, David J.

    2008-01-01

    This biographical sketch of R. Merle d’Aubigné corresponds to the historic text, The Classic: Functional Results of Hip Arthroplasty with Acrylic Prosthesis, available at DOI 10.1007/s11999-008-0572-1. Electronic supplementary material The online version of this article (doi:10.1007/s11999-008-0571-2) contains supplementary material, which is available to authorized users. PMID:18941853

  10. Electronic properties of Mn-phthalocyanine–C{sub 60} bulk heterojunctions: Combining photoemission and electron energy-loss spectroscopy

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

    Roth, Friedrich; Herzig, Melanie; Knupfer, Martin

    2015-11-14

    The electronic properties of co-evaporated mixtures (blends) of manganese phthalocyanine and the fullerene C{sub 60} (MnPc:C{sub 60}) have been studied as a function of the concentration of the two constituents using two supplementary electron spectroscopic methods, photoemission spectroscopy (PES) and electron energy-loss spectroscopy (EELS) in transmission. Our PES measurements provide a detailed picture of the electronic structure measured with different excitation energies as well as different mixing ratios between MnPc and C{sub 60}. Besides a relative energy shift, the occupied electronic states of the two materials remain essentially unchanged. The observed energy level alignment is different compared to that ofmore » the related CuPc:C{sub 60} bulk heterojunction. Moreover, the results from our EELS investigations show that, despite the rather small interface interaction, the MnPc related electronic excitation spectrum changes significantly by admixing C{sub 60} to MnPc thin films.« less

  11. 77 FR 13123 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-03-05

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9642-8] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was...

  12. 75 FR 65627 - Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of Arkansas

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-10-26

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9217-6] Cross-Media Electronic Reporting Rule State...: Notice. SUMMARY: This notice announces EPA's approval, under regulations for Cross-Media Electronic..., NW., Washington, DC 20460. SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media...

  13. 75 FR 983 - Cross-Media Electronic Reporting Rule State Approved Program Revision/Modification Approvals...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-01-07

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9099-3] Cross-Media Electronic Reporting Rule State Approved...). ACTION: Notice. SUMMARY: This notice announces EPA's approval, under regulations for Cross-Media..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

  14. 77 FR 37038 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-20

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9690-5] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was...

  15. 75 FR 69660 - Cross-Media Electronic Reporting Rule State Authorized Program Revision Approval: State of Hawaii

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-11-15

    ... ENVIRONMENTAL PROTECTION AGENCY [FRL-9226-9] Cross-Media Electronic Reporting Rule State...: Notice. SUMMARY: This notice announces EPA's approval, under regulations for Cross-Media Electronic..., NW., Washington, DC 20460. SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media...

  16. Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72

    NASA Astrophysics Data System (ADS)

    Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru

    2013-07-01

    We present a metal carbide clusterfullerene Sc2C2@Cs(10528)-C72, whose structure has been baffling for many years. A motional endohedral Sc2C2 cluster, special molecule geometry and electronic structure were found in Sc2C2@Cs(10528)-C72. The paramagnetic Sc2C2@Cs-C72 anion radical was successfully prepared by a chemical reduction method and hyperfine couplings in the ESR spectrum were observed.We present a metal carbide clusterfullerene Sc2C2@Cs(10528)-C72, whose structure has been baffling for many years. A motional endohedral Sc2C2 cluster, special molecule geometry and electronic structure were found in Sc2C2@Cs(10528)-C72. The paramagnetic Sc2C2@Cs-C72 anion radical was successfully prepared by a chemical reduction method and hyperfine couplings in the ESR spectrum were observed. Electronic supplementary information (ESI) available: Experimental details, HPLC chromatogram, and DFT calculations. CCDC 917712. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3nr01739g

  17. 78 FR 41971 - 30-Day Notice of Proposed Information Collection: Electronic Diversity Visa Entry Form

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-07-12

    ...: Electronic Diversity Visa Entry Form ACTION: Notice of request for public comment and submission to OMB of... collection instrument and supporting documents, to Sydney Taylor, Visa Services, U.S. [[Page [email protected] SUPPLEMENTARY INFORMATION: Title of Information Collection: Electronic Diversity Visa...

  18. ARL Supplementary Statistics, 2007-2008

    ERIC Educational Resources Information Center

    Bland, Les, Comp.; Kyrillidou, Martha, Comp.

    2009-01-01

    This report presents statistics on how Association of Research Libraries (ARL) member libraries spend money on electronic resources. This report indicates that 109 ARL libraries purchased 32,329,187 electronic books. In 2007-2008, there was a median of 28,319 acquisitions of electronic books by ARL libraries (this includes one institution that…

  19. ARL Supplementary Statistics, 2006-2007

    ERIC Educational Resources Information Center

    Bland, Les, Comp.; Kyrillidou, Martha, Comp.

    2009-01-01

    This report presents statistics on how Association of Research Libraries (ARL) member libraries spend money on electronic resources. This report indicates that 108 ARL libraries purchased 25,006,758 electronic books. In 2006-2007, there was an ARL median of 243,725 acquisitions of electronic books (this includes one institution that purchased…

  20. 7 CFR 1770.15 - Supplementary accounts required of all borrowers.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Switching—Circuit. 2212.2 2212.2 Digital Electronic Switching—Packet. 2230.11 Central Office Transmission... Retirement Work in Progress. Current Liabilities 2232.1 2232.1 Circuit Equipment—Electronic. 2232.2 2232.2... Expense—Circuit. 6212.2 6212.2 Digital Electronic Switching Expense—Packet. 6230.11 Radio Systems Expense...

  1. 7 CFR 1770.15 - Supplementary accounts required of all borrowers.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Switching—Circuit. 2212.2 2212.2 Digital Electronic Switching—Packet. 2230.11 Central Office Transmission... Retirement Work in Progress. Current Liabilities 2232.1 2232.1 Circuit Equipment—Electronic. 2232.2 2232.2... Expense—Circuit. 6212.2 6212.2 Digital Electronic Switching Expense—Packet. 6230.11 Radio Systems Expense...

  2. 7 CFR 1770.15 - Supplementary accounts required of all borrowers.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Switching—Circuit. 2212.2 2212.2 Digital Electronic Switching—Packet. 2230.11 Central Office Transmission... Retirement Work in Progress. Current Liabilities 2232.1 2232.1 Circuit Equipment—Electronic. 2232.2 2232.2... Expense—Circuit. 6212.2 6212.2 Digital Electronic Switching Expense—Packet. 6230.11 Radio Systems Expense...

  3. 76 FR 71438 - Proposed Collection; Comment Request for Forms 13768

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-17

    ... 13768, Electronic Tax Administration Advisory Committee (ETACC) Membership Application. DATES: Written...: Direct all written comments to Yvette B. Lawrence, Internal Revenue Service, room 6129, 1111 Constitution... Internet at [email protected] . SUPPLEMENTARY INFORMATION: Title: Electronic Tax Administration...

  4. Determining rotational dynamics of the guanidino group of arginine side chains in proteins by carbon-detected NMR† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7cc04821a

    PubMed Central

    Gerecht, Karola; Figueiredo, Angelo Miguel

    2017-01-01

    Arginine residues are imperative for many active sites and protein-interaction interfaces. A new NMR-based method is presented to determine the rotational dynamics around the Nε–Cζ bond of arginine side chains. An application to a 19 kDa protein shows that the strengths of interactions involving arginine side chains can be characterised. PMID:28840203

  5. 77 FR 35691 - Update to Electronic Common Technical Document Module 1

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-14

    ... Electronic Common Technical Document (eCTD) Module 1, which is used for electronic submission of... they are received with a limit of 350. SUPPLEMENTARY INFORMATION: The eCTD is an International... Research (CBER) have been receiving submissions in the eCTD format since 2003, and the eCTD has been the...

  6. The electronic structure of Au25 clusters: between discrete and continuous

    NASA Astrophysics Data System (ADS)

    Katsiev, Khabiboulakh; Lozova, Nataliya; Wang, Lu; Sai Krishna, Katla; Li, Ruipeng; Mei, Wai-Ning; Skrabalak, Sara E.; Kumar, Challa S. S. R.; Losovyj, Yaroslav

    2016-08-01

    Here, an approach based on synchrotron resonant photoemission is employed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states in the vicinity of the Fermi level. These observations are supported by DFT studies.Here, an approach based on synchrotron resonant photoemission is employed to explore the transition between quantization and hybridization of the electronic structure in atomically precise ligand-stabilized nanoparticles. While the presence of ligands maintains quantization in Au25 clusters, their removal renders increased hybridization of the electronic states in the vicinity of the Fermi level. These observations are supported by DFT studies. Electronic supplementary information (ESI) available: Experimental details including chemicals, sample preparation, and characterization methods. Computation techniques, SV-AUC, GIWAXS, XPS, UPS, MALDI-TOF, ESI data of Au25 clusters. See DOI: 10.1039/c6nr02374f

  7. Facile fabrication of BiVO4 nanofilms with controlled pore size and their photoelectrochemical performances

    NASA Astrophysics Data System (ADS)

    Feng, Chenchen; Jiao, Zhengbo; Li, Shaopeng; Zhang, Yan; Bi, Yingpu

    2015-12-01

    We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures.We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06584d

  8. Direct heteroarylation polymerization: guidelines for defect-free conjugated polymers† †Electronic supplementary information (ESI) available. CCDC 1507660 and 1507661. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00589j Click here for additional data file.

    PubMed Central

    Bura, Thomas; Beaupré, Serge; Légaré, Marc-André; Quinn, Jesse; Rochette, Etienne; Blaskovits, J. Terence; Fontaine, Frédéric-Georges; Pron, Agnieszka; Li, Yuning

    2017-01-01

    Direct (hetero)arylation polymerization (DHAP) has emerged as a valuable and atom-economical alternative to traditional cross-coupling methods for the synthesis of low-cost and efficient conjugated polymers for organic electronics. However, when applied to the synthesis of certain (hetero)arene-based materials, a lack of C–H bond selectivity has been observed. To prevent such undesirable side-reactions, we report the design and synthesis of new, bulky, phosphine-based ligands that significantly enhance selectivity of the DHAP process for both halogenated and non-halogenated electron-rich and electron-deficient thiophene-based comonomers. To better understand the selectivity issues, density functional theory (DFT) calculations have been performed on various halogenated and non-halogenated electron-rich and electron-deficient thiophene-based comonomers. Calculations showed that the presence of bromine atoms decreases the energy of activation (E a) of the adjacent C–H bonds, allowing undesirable β-defects for some brominated aromatic units. Both calculations and the new ligands should lead to the rational design of monomers and methods for the preparation of defect-free conjugated polymers from DHAP. PMID:28966781

  9. Valence holes observed in nanodiamonds dispersed in water

    NASA Astrophysics Data System (ADS)

    Petit, Tristan; Pflüger, Mika; Tolksdorf, Daniel; Xiao, Jie; Aziz, Emad F.

    2015-02-01

    Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed.Colloidal dispersion is essential for most nanodiamond applications, but its influence on nanodiamond electronic properties remains unknown. Here we have probed the electronic structure of oxidized detonation nanodiamonds dispersed in water by using soft X-ray absorption and emission spectroscopies at the carbon and oxygen K edges. Upon dispersion in water, the π* transitions from sp2-hybridized carbon disappear, and holes in the valence band are observed. Electronic supplementary information (ESI) available: Experimental methods, details on XAS/XES normalization and background correction procedures. See DOI: 10.1039/c4nr06639a

  10. 77 FR 58511 - Announcement of Competition Under the America COMPETES Reauthorization Act of 2011

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-21

    ... electronically. To facilitate electronic delivery, the winner will need to submit financial account information... their demographic characteristics. The SUPPLEMENTARY INFORMATION section of this notice provides more detailed information about the competition. DATES: Competition began on August 31, 2012, and ends on...

  11. 78 FR 68981 - Electronic Retirement Processing

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-18

    ... in which a single key is used to sign and verify an electronic document. The single key (also known...-0299. SUPPLEMENTARY INFORMATION: On March 5, 2013, OPM published (at 78 FR 14233) proposed regulations... received no comments on the proposed regulations. Accordingly, we are now adopting the proposed regulations...

  12. 76 FR 39315 - Preliminary Plan for Retrospective Analysis of Existing Rules; Notice of Availability

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-06

    ...Rulemaking Portal: http://www.regulations.gov . Follow the instructions for submitting comments. Electronic...Rulemaking Portal at http://www.regulations.gov . Electronic submission of comments allows the commenter... for General Law, Ethics, and Regulation at [email protected] . SUPPLEMENTARY INFORMATION: On...

  13. Programmed serial stereochemical relay and its application in the synthesis of morphinans† †Electronic supplementary information (ESI) available. CCDC 1526432. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03189k Click here for additional data file. Click here for additional data file.

    PubMed Central

    Ho (Kenny) Park, Kun; Chen, Rui

    2017-01-01

    Herein we report a rationally designed, serial point-to-axial and axial-to-point stereoinduction and its integration into multi-step and target-oriented organic synthesis. In this proof-of-concept study, the configurational stability of several carefully designed atropisomeric intermediates and the fidelity of their unconventional stereoinductions were systematically investigated. The highly functionalized prepared synthetic intermediate was further applied in a novel chemical method to access the morphinans and it is potentially applicable to other structurally related alkaloids. PMID:29147530

  14. X-ray Topographic Methods and Application to Analysis of Electronic Materials

    NASA Technical Reports Server (NTRS)

    Mayo, W. E.; Liu, H. Y.; Chaudhuri, J.

    1984-01-01

    Three supplementary X-ray techniques new to semiconductor applications are discussed. These are the Computer Aided Rocking Curve Analyzer, the Divergent Beam Method and a new method based on enhanced X-ray flourescence. The first method is used for quantitative mapping of an elastic or plastic strain field while the other two methods are used only to measure elastic strains. The divergent beam method is used for measuring the full strain tensor while the microfluorescence method is useful for monitoring strain uniformity. These methods are discussed in detail and examples of their application is presented. Among these are determination of the full strain ellipsoid in state-of-the-art liquid phase epitaxy deposited III-V epitaxial films; mapping of the plastic strain concentrations in tensile deformed Si; and quantitative determination of damage in V3Si due to ion implantation.

  15. Bioinspired enantioselective synthesis of crinine-type alkaloids via iridium-catalyzed asymmetric hydrogenation of enones† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02112g Click here for additional data file.

    PubMed Central

    Zuo, Xiao-Dong; Guo, Shu-Min; Yang, Rui

    2017-01-01

    A bioinspired enantioselective synthesis of crinine-type alkaloids has been developed by iridium-catalyzed asymmetric hydrogenation of racemic cycloenones. The method features a biomimetic stereodivergent resolution of the substrates bearing a remote arylated quaternary stereocenter. Using this protocol, 24 crinine-type alkaloids and 8 analogues were synthesized in a concise and rapid way with high yield and high enantioselectivity. PMID:28989653

  16. Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

    PubMed Central

    2007-01-01

    Several modifications that have been made to the NDDO core-core interaction term and to the method of parameter optimization are described. These changes have resulted in a more complete parameter optimization, called PM6, which has, in turn, allowed 70 elements to be parameterized. The average unsigned error (AUE) between calculated and reference heats of formation for 4,492 species was 8.0 kcal mol−1. For the subset of 1,373 compounds involving only the elements H, C, N, O, F, P, S, Cl, and Br, the PM6 AUE was 4.4 kcal mol−1. The equivalent AUE for other methods were: RM1: 5.0, B3LYP 6–31G*: 5.2, PM5: 5.7, PM3: 6.3, HF 6–31G*: 7.4, and AM1: 10.0 kcal mol−1. Several long-standing faults in AM1 and PM3 have been corrected and significant improvements have been made in the prediction of geometries. Figure Calculated structure of the complex ion [Ta6Cl12]2+ (footnote): Reference value in parenthesis Electronic supplementary material The online version of this article (doi:10.1007/s00894-007-0233-4) contains supplementary material, which is available to authorized users. PMID:17828561

  17. 75 FR 47552 - Information Collection; Submission for OMB Review, Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-06

    ... information collection request (ICR) entitled the the National Evaluation of School-Based Learn and Serve...) Electronically by e-mail to: [email protected] . SUPPLEMENTARY INFORMATION: The OMB is particularly interested in..., e.g., permitting electronic submissions of responses. Comments A 60-day public comment Notice was...

  18. 78 FR 13069 - Draft Guidance for Industry: Recommendations for Screening, Testing, and, Management of Blood...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-26

    ... components, including Source Plasma. The guidance announced in this notice replaces the draft guidance... before it begins work on the final version of the guidance, submit either electronic or written comments... the SUPPLEMENTARY INFORMATION section for electronic access to the draft guidance document. Submit...

  19. 78 FR 59099 - Agency Information Collection (VA Loan Electronic Reporting Interface (VALERI) System) Activity...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-25

    ... Information and Regulatory Affairs, Office of Management and Budget, Attn: VA Desk Officer; 725 17th St. NW....'' SUPPLEMENTARY INFORMATION: Title: VA Loan Electronic Reporting Interface (VALERI) System. OMB Control Number... information submitted through the VALERI system to perform supplemental servicing, determination on...

  20. 78 FR 17470 - Proposed Collection; Comment Request for Regulation Project

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-03-21

    ... Reduction Act of 1995, Public Law 104-13(44 U.S.C. 3506(c)(2)(A)). Currently, the IRS is soliciting comments concerning guidance necessary to facilitate business electronic filing (TD 9300(final)). DATES: Written....gov . SUPPLEMENTARY INFORMATION: Title: Guidance Necessary to Facilitate Business Electronic Filing...

  1. An ambient stable core-substituted perylene bisimide dianion: isolation and single crystal structure analysis† †Electronic supplementary information (ESI) available: Synthesis, spectroelectrochemistry, UV-vis, electrochemistry, X-ray diffraction, NMR and mass spectra. CCDC 1032959. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03671a Click here for additional data file. Click here for additional data file.

    PubMed Central

    Seifert, Sabine; Schmidt, David

    2015-01-01

    Here we report the first example of an isolable, ambient stable perylene bisimide (PBI) dianion which was synthesized by catalytic reduction of a highly electron deficient PBI derivative. The remarkable stability of this unprecedented dianion in air for months facilitated its complete characterization by different methods, including single crystal X-ray analysis. Furthermore, solvent dependent cyclic and square wave voltammetry studies revealed that the formation of PBI dianions is preferred in more polar solvents, whereas the generation of PBI radical anions should be favoured in less polar solvents. PMID:28717450

  2. Enhancing mHealth Technology in the PCMH Environment to Activate Chronic Care Patients

    DTIC Science & Technology

    2017-09-01

    AVAILABILITY STATEMENT Approved for Public Release; Distribution Unlimited 13. SUPPLEMENTARY NOTES - 14. ABSTRACT - The potential of mobile health (mHealth...biometric data, electronic coaching, electronic-based health education, secure e-mail communication between visits, and electronic collection of lifestyle...influence patient activation and self-care activities. 15. SUBJECT TERMS MHCE, Mobile Health Care Environment mHealth, mobile health MHS, Military Health

  3. 77 FR 36423 - Labeling Requirements for Alternative Fuels and Alternative Fueled Vehicles

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-19

    ...: Interested parties are invited to submit written comments electronically or in paper form by following the instructions in section V of the SUPPLEMENTARY INFORMATION section below. Comments in electronic form should be... following the instructions on the web-based form). Comments filed in paper form should be mailed or...

  4. Understanding Iran

    DTIC Science & Technology

    2009-01-01

    SPONSOR/MONITOR’S REPORT NUMBER( S ) 12. DISTRIBUTION /AVAILABILITY STATEMENT Approved for public release; distribution unlimited 13. SUPPLEMENTARY...This document and trademark( s ) contained herein are protected by law as indicated in a notice appearing later in this work. This electronic...documents for commercial use. For information on reprint and linking permissions, please see RAND Permissions. Limited Electronic Distribution Rights

  5. Stationary Engineers Apprenticeship. Related Training Modules. 5.1-5.17 Electricity/Electronics.

    ERIC Educational Resources Information Center

    Lane Community Coll., Eugene, OR.

    This packet of 17 learning modules on electricity/electronics is one of 20 such packets developed for apprenticeship training for stationary engineers. Introductory materials are a complete listing of all available modules and a supplementary reference list. Each module contains some or all of these components: goal, performance indicators,…

  6. Preparation of fluorescent mesoporous hollow silica-fullerene nanoparticles via selective etching for combined chemotherapy and photodynamic therapy

    NASA Astrophysics Data System (ADS)

    Yang, Yannan; Yu, Meihua; Song, Hao; Wang, Yue; Yu, Chengzhong

    2015-07-01

    Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy.Well-dispersed mesoporous hollow silica-fullerene nanoparticles with particle sizes of ~50 nm have been successfully prepared by incorporating fullerene molecules into the silica framework followed by a selective etching method. The fabricated fluorescent silica-fullerene composite with high porosity demonstrates excellent performance in combined chemo/photodynamic therapy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr02769a

  7. An analytic approach to sunset diagrams in chiral perturbation theory: Theory and practice

    NASA Astrophysics Data System (ADS)

    Ananthanarayan, B.; Bijnens, Johan; Ghosh, Shayan; Hebbar, Aditya

    2016-12-01

    We demonstrate the use of several code implementations of the Mellin-Barnes method available in the public domain to derive analytic expressions for the sunset diagrams that arise in the two-loop contribution to the pion mass and decay constant in three-flavoured chiral perturbation theory. We also provide results for all possible two mass configurations of the sunset integral, and derive a new one-dimensional integral representation for the one mass sunset integral with arbitrary external momentum. Thoroughly annotated Mathematica notebooks are provided as ancillary files in the Electronic Supplementary Material to this paper, which may serve as pedagogical supplements to the methods described in this paper.

  8. A facile bacterial assisted electrochemical self-assembly of polypyrrole micro-pillars: towards underwater low adhesive superoleophobicity

    NASA Astrophysics Data System (ADS)

    Cheng, Zhe; Ding, Chunmei; Liu, Huan; Zhu, Ying; Jiang, Lei

    2013-12-01

    By taking advantage of bacterial extracellular electron transfer behavior, a facile method was developed to fabricate oriented polypyrrole micro-pillars (PPy-MP) with nanoscale surface roughness. Microbes acted as a living conductive template on which PPy was in situ polymerized. The as-prepared PPy-MP exhibit the distinctive underwater low adhesive superoleophobicity which is attributable to the unique hierarchical micro/nano-structures and the high surface energy by doping with inorganic small anions.By taking advantage of bacterial extracellular electron transfer behavior, a facile method was developed to fabricate oriented polypyrrole micro-pillars (PPy-MP) with nanoscale surface roughness. Microbes acted as a living conductive template on which PPy was in situ polymerized. The as-prepared PPy-MP exhibit the distinctive underwater low adhesive superoleophobicity which is attributable to the unique hierarchical micro/nano-structures and the high surface energy by doping with inorganic small anions. Electronic supplementary information (ESI) available: The shape of a water drop on PPy-MPA and cauliflower-like PPy film in air. See DOI: 10.1039/c3nr03788f

  9. The Use of Supplementary Materials in English Foreign Language Classes in Ecuadorian Secondary Schools

    ERIC Educational Resources Information Center

    Dodd, Alexander R.; Camacho, Gina K.; Morocho, Elsa L.; Paredes, Fabián M.; Zúñiga, Alexandra; Pinza, Eliana I.; Toro, Lisset V.; Vargas, Alba B.; Benítez, Carmen D.; Rogers, Sylvia

    2015-01-01

    This mixed-methods study investigated the use of supplementary materials by EFL teachers in Ecuadorian secondary schools. Via the use of teacher interviews (n = 12) it was found that teachers believe the use of supplementary materials increases the motivation of the students, which in-turn improves the learning possibilities of the students. The…

  10. Diversity arrays technology (DArT) markers in apple for genetic linkage maps.

    PubMed

    Schouten, Henk J; van de Weg, W Eric; Carling, Jason; Khan, Sabaz Ali; McKay, Steven J; van Kaauwen, Martijn P W; Wittenberg, Alexander H J; Koehorst-van Putten, Herma J J; Noordijk, Yolanda; Gao, Zhongshan; Rees, D Jasper G; Van Dyk, Maria M; Jaccoud, Damian; Considine, Michael J; Kilian, Andrzej

    2012-03-01

    Diversity Arrays Technology (DArT) provides a high-throughput whole-genome genotyping platform for the detection and scoring of hundreds of polymorphic loci without any need for prior sequence information. The work presented here details the development and performance of a DArT genotyping array for apple. This is the first paper on DArT in horticultural trees. Genetic mapping of DArT markers in two mapping populations and their integration with other marker types showed that DArT is a powerful high-throughput method for obtaining accurate and reproducible marker data, despite the low cost per data point. This method appears to be suitable for aligning the genetic maps of different segregating populations. The standard complexity reduction method, based on the methylation-sensitive PstI restriction enzyme, resulted in a high frequency of markers, although there was 52-54% redundancy due to the repeated sampling of highly similar sequences. Sequencing of the marker clones showed that they are significantly enriched for low-copy, genic regions. The genome coverage using the standard method was 55-76%. For improved genome coverage, an alternative complexity reduction method was examined, which resulted in less redundancy and additional segregating markers. The DArT markers proved to be of high quality and were very suitable for genetic mapping at low cost for the apple, providing moderate genome coverage. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s11032-011-9579-5) contains supplementary material, which is available to authorized users.

  11. Electricity-Electronics for Industrial Arts. Instructors Lesson Plans. Industrial Arts Series, Publication Number 10,010.

    ERIC Educational Resources Information Center

    Hinrichs, Roy S., Comp.

    Thirty-one lesson plans on electricity-electronics are presented in this guide designed for industrial arts instructors. Each lesson plan is organized into the following format: (1) lesson objective; (2) supplementary teaching items; (3) presentation; (4) demonstration; (5) laboratory or other activities; and (6) test items (oral, written, or…

  12. Understanding Proto-Insurgencies

    DTIC Science & Technology

    2007-01-01

    SPONSOR/MONITOR’S REPORT NUMBER( S ) 12. DISTRIBUTION /AVAILABILITY STATEMENT Approved for public release; distribution unlimited 13. SUPPLEMENTARY...This document and trademark( s ) contained herein are protected by law as indicated in a notice appearing later in this work. This electronic...documents for commercial use. For information on reprint and linking permissions, please see RAND Permissions. Limited Electronic Distribution Rights This

  13. 77 FR 57035 - Notice of Commission's Implementation of Procedure of Serving Parties in an Electronic Format

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-09-17

    ... FEDERAL COMMUNICATIONS COMMISSION 47 CFR Part 1 [GC Docket No. 10-44; DA 12-1401] Notice of... . SUPPLEMENTARY INFORMATION: This is a synopsis of the Commission's Public Notice, document DA 12-1401, released... Procedure of Serving Parties in an Electronic Format. The full text of DA [[Page 57036

  14. 76 FR 30995 - Renewed and Amended Memorandum of Understanding (MOU) Assigning Environmental Responsibilities to...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-27

    .... The public is invited to comment on any aspect of the proposed MOU, including the scope of..., between 9 a.m. and 5 p.m. (EST), Monday through Friday, except Federal holidays. Docket: For access to the... . SUPPLEMENTARY INFORMATION: Electronic Access An electronic copy of this notice may be downloaded using a...

  15. Low Voltage Alarm Apprenticeship. Related Training Modules. 2.1-5.3 Electricity/Electronics.

    ERIC Educational Resources Information Center

    Lane Community Coll., Eugene, OR.

    This packet of 29 learning modules on electricity/electronics is 1 of 8 such packets developed for apprenticeship training for low voltage alarm. Introductory materials are a complete listing of all available modules and a supplementary reference list. Each module contains some or all of these components: goal, performance indicators, study guide…

  16. Incorporation of native antibodies and Fc-fusion proteins on DNA nanostructures via a modular conjugation strategy† †Electronic supplementary information (ESI) available: Experimental methods, DNA origami design, DNA sequences, and additional experimental data. See DOI: 10.1039/c7cc04178k

    PubMed Central

    Rosier, Bas J. H. M.; Cremers, Glenn A. O.; Engelen, Wouter; Merkx, Maarten; Brunsveld, Luc

    2017-01-01

    A photocrosslinkable protein G variant was used as an adapter protein to covalently and site-specifically conjugate an antibody and an Fc-fusion protein to an oligonucleotide. This modular approach enables straightforward decoration of DNA nanostructures with complex native proteins while retaining their innate binding affinity, allowing precise control over the nanoscale spatial organization of such proteins for in vitro and in vivo biomedical applications. PMID:28617516

  17. Purchase of a Transmission Electron Microscope for Xavier University of Louisiana

    DTIC Science & Technology

    2015-05-15

    imaging facility on the second floor of the Pharmacy Addition at Xavier University that already includes two scanning electron microscopes. The new TEM...is now in use. Xavier University has formally pledged to provide funds for the 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE 13. SUPPLEMENTARY...for Public Release; Distribution Unlimited Final Report: Purchase of a Transmission Electron Microscope for Xavier University of Louisiana The views

  18. Some Supplementary Methods for the Analysis of the Delis-Kaplan Executive Function System

    ERIC Educational Resources Information Center

    Crawford, John R.; Garthwaite, Paul H.; Sutherland, David; Borland, Nicola

    2011-01-01

    Supplementary methods for the analysis of the Delis-Kaplan Executive Function System (Delis, Kaplan, & Kramer, 2001) are made available, including (a) quantifying the number of abnormally low achievement scores exhibited by an individual and accompanying this with an estimate of the percentage of the normative population expected to exhibit at…

  19. Main Determinants of Supplementary Health Insurance Demand: (Case of Iran)

    PubMed Central

    Motlagh, Soraya Nouraei; Gorji, Hassan Abolghasem; Mahdavi, Ghadir; Ghaderi, Hossein

    2015-01-01

    Introduction: In the majority of developing countries, the volume of medical insurance services, provided by social insurance organizations is inadequate. Thus, supplementary medical insurance is proposed as a means to address inadequacy of medical insurance. Accordingly, in this article, we attempted to provide the context for expansion of this important branch of insurance through identification of essential factors affecting demand for supplementary medical insurance. Method: In this study, two methods were used to identify essential factors affecting choice of supplementary medical insurance including Classification and Regression Trees (CART) and Bayesian logit. To this end, Excel® software was used to refine data and R® software for estimation. The present study was conducted during 2012, covering all provinces in Iran. Sample size included 18,541 urban households, selected by Statistical Center of Iran using 3-stage cluster sampling approach. In this study, all data required were collected from the Statistical Center of Iran. Results: In 2012, an overall 8.04% of the Iranian population benefited from supplementary medical insurance. Demand for supplementary insurance is a concave function of age of the household head, and peaks in middle-age when savings and income are highest. The present study results showed greater likelihood of demand for supplementary medical insurance in households with better economic status, higher educated heads, female heads, and smaller households with greater expected medical expenses, and household income is the most important factor affecting demand for supplementary medical insurance. Conclusion: Since demand for supplementary medical insurance is hugely influenced by households’ economic status, policy-makers in the health sector should devise measures to improve households’ economic or financial access to supplementary insurance services, by identifying households in the lower economic deciles, and increasing their financial ability to pay. Moreover, insurance companies should adjust their insurance policy according to clients’ needs, household characteristics, and their incomes. PMID:26153181

  20. RNA splicing process analysis for identifying antisense oligonucleotide inhibitors with padlock probe-based isothermal amplification† †Electronic supplementary information (ESI) available: Additional experimental materials, methods, DNA sequences and supplementary figures and tables. See DOI: 10.1039/c7sc01336a Click here for additional data file.

    PubMed Central

    Ren, Xiaojun; Deng, Ruijie; Wang, Lida; Zhang, Kaixiang

    2017-01-01

    RNA splicing, which mainly involves two transesterification steps, is a fundamental process of gene expression and its abnormal regulation contributes to serious genetic diseases. Antisense oligonucleotides (ASOs) are genetic control tools that can be used to specifically control genes through alteration of the RNA splicing pathway. Despite intensive research, how ASOs or various other factors influence the multiple processes of RNA splicing still remains obscure. This is largely due to an inability to analyze the splicing efficiency of each step in the RNA splicing process with high sensitivity. We addressed this limitation by introducing a padlock probe-based isothermal amplification assay to achieve quantification of the specific products in different splicing steps. With this amplified assay, the roles that ASOs play in RNA splicing inhibition in the first and second steps could be distinguished. We identified that 5′-ASO could block RNA splicing by inhibiting the first step, while 3′-ASO could block RNA splicing by inhibiting the second step. This method provides a versatile tool for assisting efficient ASO design and discovering new splicing modulators and therapeutic drugs. PMID:28989608

  1. Ultrafast, 2 min synthesis of monolayer-protected gold nanoclusters (d < 2 nm)

    NASA Astrophysics Data System (ADS)

    Martin, Matthew N.; Li, Dawei; Dass, Amala; Eah, Sang-Kee

    2012-06-01

    An ultrafast synthesis method is presented for hexanethiolate-coated gold nanoclusters (d < 2 nm, <250 atoms per nanocluster), which takes only 2 min and can be easily reproduced. With two immiscible solvents, gold nanoclusters are separated from the reaction byproducts fast and easily without any need for post-synthesis cleaning.An ultrafast synthesis method is presented for hexanethiolate-coated gold nanoclusters (d < 2 nm, <250 atoms per nanocluster), which takes only 2 min and can be easily reproduced. With two immiscible solvents, gold nanoclusters are separated from the reaction byproducts fast and easily without any need for post-synthesis cleaning. Electronic supplementary information (ESI) available: Experimental details of gold nanocluster synthesis and mass-spectrometry. See DOI: 10.1039/c2nr30890h

  2. Investigation of transport properties of coronene.TCNQ cocrystal microrods with coronene microrods and TCNQ microsheets

    NASA Astrophysics Data System (ADS)

    Wu, Hao-Di; Wang, Feng-Xia; Zhang, Meng; Pan, Ge-Bo

    2015-07-01

    Coronene.TCNQ cocrystal microrods, coronene microrods, and TCNQ microsheets were constructed by a drop-casting method. Prototype devices were fabricated and their field-effect-transistor (FET) performances were investigated. It is found that coronene.TCNQ microrods had exhibited an n-type characteristic and showed better FET performances than TCNQ microsheets.Coronene.TCNQ cocrystal microrods, coronene microrods, and TCNQ microsheets were constructed by a drop-casting method. Prototype devices were fabricated and their field-effect-transistor (FET) performances were investigated. It is found that coronene.TCNQ microrods had exhibited an n-type characteristic and showed better FET performances than TCNQ microsheets. Electronic supplementary information (ESI) available: Device fabrication and measurements. See DOI: 10.1039/c5nr02778k

  3. Infrared Semiconductor Metamaterials

    DTIC Science & Technology

    2016-09-01

    Approved for public release. 13. SUPPLEMENTARY NOTES 14. ABSTRACT The central objective of this program is to create a new class of programmable ...this program is to create a new class of programmable infrared optic that can steer or focus beams and is reconfigurable at electronic time...element of a programmable infrared optic that can steer or focus beams and is reconfigurable at electronic time-scales. B. Major

  4. 77 FR 5987 - Procedures of the Panel; Impasses Arising Pursuant to Agency Determinations Not To Establish or...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-02-07

    ... Authority (the FLRA) is engaged in an initiative to make electronic filing or ``eFiling'' available to parties in all cases before the FLRA. Making electronic filing or ``eFiling'' available to its parties is...: [email protected] . SUPPLEMENTARY INFORMATION: In this first stage in the FLRA's eFiling initiative, the...

  5. Analytical methods for PCBs and organochlorine pesticides in environmental monitoring and surveillance: a critical appraisal

    PubMed Central

    Sverko, Ed

    2006-01-01

    Analytical methods for the analysis of polychlorinated biphenyls (PCBs) and organochlorine pesticides (OCPs) are widely available and are the result of a vast amount of environmental analytical method development and research on persistent organic pollutants (POPs) over the past 30–40 years. This review summarizes procedures and examines new approaches for extraction, isolation, identification and quantification of individual congeners/isomers of the PCBs and OCPs. Critical to the successful application of this methodology is the collection, preparation, and storage of samples, as well as specific quality control and reporting criteria, and therefore these are also discussed. With the signing of the Stockholm convention on POPs and the development of global monitoring programs, there is an increased need for laboratories in developing countries to determine PCBs and OCPs. Thus, while this review attempts to summarize the current best practices for analysis of PCBs and OCPs, a major focus is the need for low-cost methods that can be easily implemented in developing countries. A “performance based” process is described whereby individual laboratories can adapt methods best suited to their situations. Access to modern capillary gas chromatography (GC) equipment with either electron capture or low-resolution mass spectrometry (MS) detection to separate and quantify OCP/PCBs is essential. However, screening of samples, especially in areas of known use of OCPs or PCBs, could be accomplished with bioanalytical methods such as specific commercially available enzyme-linked immunoabsorbent assays and thus this topic is also reviewed. New analytical techniques such two-dimensional GC (2D-GC) and “fast GC” using GC–ECD may be well-suited for broader use in routine PCB/OCP analysis in the near future given their relatively low costs and ability to provide high-resolution separations of PCB/OCPs. Procedures with low environmental impact (SPME, microscale, low solvent use, etc.) are increasingly being used and may be particularly suited to developing countries. Electronic supplementary material Supplementary material is available in the online version of this article at http://dx.doi.org/10.1007/s00216-006-0765-y and is accessible for authorized users. PMID:17047943

  6. Electron impact ionisation cross sections of iron oxides

    NASA Astrophysics Data System (ADS)

    Huber, Stefan E.; Mauracher, Andreas; Sukuba, Ivan; Urban, Jan; Maihom, Thana; Probst, Michael

    2017-12-01

    We report electron impact ionisation cross sections (EICSs) of iron oxide molecules, FexOx and FexOx+1 with x = 1, 2, 3, from the ionisation threshold to 10 keV, obtained with the Deutsch-Märk (DM) and binary-encounter-Bethe (BEB) methods. The maxima of the EICSs range from 3.10 to 9 . 96 × 10-16 cm2 located at 59-72 eV and 5.06 to 14.32 × 10-16 cm2 located at 85-108 eV for the DM and BEB approaches, respectively. The orbital and kinetic energies required for the BEB method are obtained by employing effective core potentials for the inner core electrons in the quantum chemical calculations. The BEB cross sections are 1.4-1.7 times larger than the DM cross sections which can be related to the decreasing population of the Fe 4s orbitals upon addition of oxygen atoms, together with the different methodological foundations of the two methods. Both the DM and BEB cross sections can be fitted excellently to a simple analytical expression used in modelling and simulation codes employed in the framework of nuclear fusion research. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80308-2.

  7. Learner perception of oral and written examinations in an international medical training program

    PubMed Central

    Weiner, Scott G.; Anderson, Philip D.; Irish, Julie; Ciottone, Greg; Pini, Riccardo; Grifoni, Stefano; Rosen, Peter; Ban, Kevin M.

    2010-01-01

    Background There are an increasing number of training programs in emergency medicine involving different countries or cultures. Many examination types, both oral and written, have been validated as useful assessment tools around the world; but learner perception of their use in the setting of cross-cultural training programs has not been described. Aims The goal of this study was to evaluate learner perception of four common examination methods in an international educational curriculum in emergency medicine. Methods Twenty-four physicians in a cross-cultural training program were surveyed to determine learner perception of four different examination methods: structured oral case simulations, multiple-choice tests, semi-structured oral examinations, and essay tests. We also describe techniques used and barriers faced. Results There was a 100% response rate. Learners reported that all testing methods were useful in measuring knowledge and clinical ability and should be used for accreditation and future training programs. They rated oral examinations as significantly more useful than written in measuring clinical abilities (p < 0.01). Compared to the other three types of examinations, learners ranked oral case simulations as the most useful examination method for assessing learners’ fund of knowledge and clinical ability (p < 0.01). Conclusions Physician learners in a cross-cultural, international training program perceive all four written and oral examination methods as useful, but rate structured oral case simulations as the most useful method for assessing fund of knowledge and clinical ability. Electronic supplementary material The online version of this article (doi:10.1007/s12245-009-0147-2) contains supplementary material, which is available to authorized users. PMID:20414377

  8. Using ICP-OES and SEM-EDX in biosorption studies

    PubMed Central

    Chojnacka, Katarzyna; Marycz, Krzysztof

    2010-01-01

    We have compared the analytical results obtained by inductively coupled plasma optical emission spectroscopy (ICP-OES) and by scanning electron microscopy with an energy dispersive X-ray analytical system (SEM-EDX) in order to explore the mechanism of metal ions biosorption by biomass using two independent methods. The marine macroalga Enteromorpha sp. was enriched with Cu(II), Mn(II), Zn(II), and Co(II) ions via biosorption, and the biosorption capacity of alga determined from the solution and biomass composition before and after biosorption process was compared. The first technique was used to analyze the composition of the natural and metal-loaded biomass, and additionally the composition of the solution before and after biosorption. The second technique was used to obtain a picture of the surface of natural and metal ion-loaded macroalgae, to map the elements on the cell wall of dry biomass, and to determine their concentration before and after biosorption. ICP-OES showed a better precision and lower detection limit than EDX, but SEM-EDX gave more information regarding the sample composition of Enteromorpha sp. Both techniques confirmed that biosorption is a surface phenomenon, in which alkali and alkaline earth metal ions were exchanged by metal ions from aqueous solution. Figure The advantages and disadvantages of ICP-OES and SEM-EDX techniques Electronic supplementary material The online version of this article (doi:10.1007/s00604-010-0468-0) contains supplementary material, which is available to authorized users. PMID:21423317

  9. Using ICP-OES and SEM-EDX in biosorption studies.

    PubMed

    Michalak, Izabela; Chojnacka, Katarzyna; Marycz, Krzysztof

    2011-02-01

    We have compared the analytical results obtained by inductively coupled plasma optical emission spectroscopy (ICP-OES) and by scanning electron microscopy with an energy dispersive X-ray analytical system (SEM-EDX) in order to explore the mechanism of metal ions biosorption by biomass using two independent methods. The marine macroalga Enteromorpha sp. was enriched with Cu(II), Mn(II), Zn(II), and Co(II) ions via biosorption, and the biosorption capacity of alga determined from the solution and biomass composition before and after biosorption process was compared. The first technique was used to analyze the composition of the natural and metal-loaded biomass, and additionally the composition of the solution before and after biosorption. The second technique was used to obtain a picture of the surface of natural and metal ion-loaded macroalgae, to map the elements on the cell wall of dry biomass, and to determine their concentration before and after biosorption. ICP-OES showed a better precision and lower detection limit than EDX, but SEM-EDX gave more information regarding the sample composition of Enteromorpha sp. Both techniques confirmed that biosorption is a surface phenomenon, in which alkali and alkaline earth metal ions were exchanged by metal ions from aqueous solution.FigureThe advantages and disadvantages of ICP-OES and SEM-EDX techniques ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s00604-010-0468-0) contains supplementary material, which is available to authorized users.

  10. Biological Environmental Sampling Technologies Assessment

    DTIC Science & Technology

    2015-12-01

    unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT: U.S. Army Edgewood Chemical Biological Center, Research and Technology Directorate, BioSensors ...format (pdf) electronic version of this report: ECBC R&T Directorate, Biosciences Division, BioSensors Branch RDCB-DRB-S ATTN: Gostomski, J

  11. Electronic tuning of self-healing fluorophores for live-cell and single-molecule imaging† †Electronic supplementary information (ESI) available: Chart S1, Fig. S1 to S13, Scheme S1, Tables S1 and S2, note on calculating the effective concentration of protective agents, methods of cellular imaging and details the synthesis and characterization of compounds. Supplementary Movie 1: Single-molecule TIRF movies of living SNAPf-D2s-expressing CHO cells labeled with AF647 (left) or Cy5(4S)-AC(4) (right). Supplementary Movie 2: Single-molecule TIRF movies of living SNAPf-D2s-expressing CHO cells labeled with Dy549 (left) or Cy3(4S)-AC(4) (right). See DOI: 10.1039/c6sc02976k Click here for additional data file. Click here for additional data file. Click here for additional data file.

    PubMed Central

    Zheng, Qinsi; Jockusch, Steffen; Zhou, Zhou; Altman, Roger B.; Zhao, Hong; Asher, Wesley; Holsey, Michael; Mathiasen, Signe; Geggier, Peter; Javitch, Jonathan A.

    2017-01-01

    Bright, long-lasting organic fluorophores enable a broad range of imaging applications. “Self-healing” fluorophores, in which intra-molecularly linked protective agents quench photo-induced reactive species, exhibit both enhanced photostability and biological compatibility. However, the self-healing strategy has yet to achieve its predicted potential, particularly in the presence of ambient oxygen where live-cell imaging studies must often be performed. To identify key bottlenecks in this technology that can be used to guide further engineering developments, we synthesized a series of Cy5 derivatives linked to the protective agent cyclooctatetraene (COT) and examined the photophysical mechanisms curtailing their performance. The data obtained reveal that the photostability of self-healing fluorophores is limited by reactivity of the COT protective agent. The addition of electron withdrawing substituents to COT reduced its susceptibility to reactions with molecular oxygen and the fluorophore to which it is attached and increased its capacity to participate in triplet energy transfer. Exploiting these insights, we designed and synthesized a suite of modified COT-fluorophores spanning the visible spectrum that exhibited markedly increased intra-molecular photostabilization. Under ambient oxygen conditions, the photostability of Cy3 and Cy5 fluorophore derivatives increased by 3- and 9-fold in vitro and by 2- and 6-fold in living cells, respectively. We further show that this approach can improve a silicon rhodamine fluorophore. These findings offer a clear strategy for achieving the full potential of the self-healing approach and its application to the gamut of fluorophore species commonly used for biomedical imaging. PMID:28377799

  12. Goodness-of-Fit Tests and Nonparametric Adaptive Estimation for Spike Train Analysis

    PubMed Central

    2014-01-01

    When dealing with classical spike train analysis, the practitioner often performs goodness-of-fit tests to test whether the observed process is a Poisson process, for instance, or if it obeys another type of probabilistic model (Yana et al. in Biophys. J. 46(3):323–330, 1984; Brown et al. in Neural Comput. 14(2):325–346, 2002; Pouzat and Chaffiol in Technical report, http://arxiv.org/abs/arXiv:0909.2785, 2009). In doing so, there is a fundamental plug-in step, where the parameters of the supposed underlying model are estimated. The aim of this article is to show that plug-in has sometimes very undesirable effects. We propose a new method based on subsampling to deal with those plug-in issues in the case of the Kolmogorov–Smirnov test of uniformity. The method relies on the plug-in of good estimates of the underlying model that have to be consistent with a controlled rate of convergence. Some nonparametric estimates satisfying those constraints in the Poisson or in the Hawkes framework are highlighted. Moreover, they share adaptive properties that are useful from a practical point of view. We show the performance of those methods on simulated data. We also provide a complete analysis with these tools on single unit activity recorded on a monkey during a sensory-motor task. Electronic Supplementary Material The online version of this article (doi:10.1186/2190-8567-4-3) contains supplementary material. PMID:24742008

  13. 77 FR 30586 - Uniform Relocation Assistance and Real Property Acquisition for Federal and Federally Assisted...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-05-23

    ...., Monday through Friday, except Federal holidays. SUPPLEMENTARY INFORMATION: Electronic Access An... 1500 1650 150 500 100 Vermont 400 550 650 850 1000 1100 1200 1300 150 300 75 Virgin Islands 500 700 850...

  14. Electronic School. Supplement.

    ERIC Educational Resources Information Center

    American School Board Journal, 1997

    1997-01-01

    This supplementary insert describes developments in computer uses in education. Feature articles discuss connecting rural schools to computer networks through affordable wireless transmission, using the Internet to teach foreign languages, and forging links between the school and home through technology. Other columns discuss updates on the…

  15. The Energy Spectrum of Accelerated Electrons from Wave-Plasma Interactions in the Ionosphere

    DTIC Science & Technology

    2012-06-29

    STATEMENT Distribution A: Approved for public release; distribution is unlimited. 13. SUPPLEMENTARY NOTES 14. ABSTRACT A HAARP ...data was obtained. It was therefore necessary to find the resources to repeat the campaign effort (see budget below). A HAARP campaign was...were highly structured in space and time. This fact, and the lack of electron temperature data at HAARP , made data analysis difficult. It became

  16. Enhanced biodegradation of hexachlorocyclohexane in upflow anaerobic sludge blanket reactor using methanol as an electron donor.

    PubMed

    Bhatt, Praveena; Kumar, M Suresh; Mudliar, Sandeep; Chakrabarti, Tapan

    2008-05-01

    Anaerobic dechlorination of technical grade hexachlorocyclohexane (THCH) was studied in a continuous upflow anaerobic sludge blanket (UASB) reactor with methanol as a supplementary substrate and electron donor. A reactor without methanol served as the experimental control. The inlet feed concentration of THCH in both the experimental and the control UASB reactor was 100 mg l(-1). After 60 days of continuous operation, the removal of THCH was >99% in the methanol-supplemented reactor as compared to 20-35% in the control reactor. THCH was completely dechlorinated in the methanol fed reactor at 48 h HRT after 2 months of continuous operation. This period was also accompanied by increase in biomass in the reactor, which was not observed in the experimental control. Batch studies using other supplementary substrates as well as electron donors namely acetate, butyrate, formate and ethanol showed lower % dechlorination (<85%) and dechlorination rates (<3 mg g(-1)d(-1)) as compared to methanol (98%, 5 mg g(-1)d(-1)). The optimum concentration of methanol required, for stable dechlorination of THCH (100 mg l(-1)) in the UASB reactor, was found to be 500 mg l(-1). Results indicate that addition of methanol as electron donor enhances dechlorination of THCH at high inlet concentration, and is also required for stable UASB reactor performance.

  17. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy† †Electronic supplementary information (ESI) available: Synthesis schemes, experimental methods, NMR spectra, X-ray crystallographic information, emission spectra, cyclic voltammetry, electronic structure calculations, data analysis and numerical methods, and other additional figures. CCDC 1561879. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04055e

    PubMed Central

    Kohler, Lars; Hadt, Ryan G.; Zhang, Xiaoyi; Liu, Cunming

    2017-01-01

    The kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(i) bis(phenanthroline)/ruthenium(ii) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(i)–Ru(ii) analogs of the homodinuclear Cu(i)–Cu(i) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These results suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations. PMID:29629153

  18. The Great American Biotic Interchange: Dispersals, Tectonics, Climate, Sea Level and Holding Pens

    PubMed Central

    2010-01-01

    The biotic and geologic dynamics of the Great American Biotic Interchange are reviewed and revised. Information on the Marine Isotope Stage chronology, sea level changes as well as Pliocene and Pleistocene vegetation changes in Central and northern South America add to a discussion of the role of climate in facilitating trans-isthmian exchanges. Trans-isthmian land mammal exchanges during the Pleistocene glacial intervals appear to have been promoted by the development of diverse non-tropical ecologies. Electronic supplementary material The online version of this article (doi:10.1007/s10914-010-9144-8) contains supplementary material, which is available to authorized users. PMID:21125025

  19. Geometric effects in the electronic transport of deformed nanotubes

    NASA Astrophysics Data System (ADS)

    Santos, Fernando; Fumeron, Sébastien; Berche, Bertrand; Moraes, Fernando

    2016-04-01

    Quasi-two-dimensional systems may exibit curvature, which adds three-dimensional influence to their internal properties. As shown by da Costa (1981 Phys. Rev. A 23 1982-7), charged particles moving on a curved surface experience a curvature-dependent potential which greatly influence their dynamics. In this paper, we study the electronic ballistic transport in deformed nanotubes. The one-electron Schrödinger equation with open boundary conditions is solved numerically with a flexible MAPLE code made available as supplementary data. We find that the curvature of the deformations indeed has strong effects on the electron dynamics, suggesting its use in the design of nanotube-based electronic devices.

  20. 75 FR 44313 - Medicare and Medicaid Programs; Electronic Health Record Incentive Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-28

    ... care issues. Frank Szeflinski, (303) 844-7119, Medicare Advantage issues. SUPPLEMENTARY INFORMATION... MCO Managed Care Organization MITA Medicaid Information Technology Architecture MMIS Medicaid... Payment Calculation for Eligible Hospitals c. Medicare Share d. Charity Care e. Transition Factor f...

  1. 76 FR 13242 - Change in Postal Prices

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-10

    [email protected] (electronic filing assistance). SUPPLEMENTARY INFORMATION: Table of Contents I. Introduction II. Notice of Filings III. Ordering Paragraphs I. Introduction On March 1, 2011, the Commission... Postal Service-branded parcel box designed to contain product samples and other advertising material from...

  2. 77 FR 71642 - New International Mail Contract

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-03

    ... electronically should contact the person identified in the FOR FURTHER INFORMATION CONTACT section by telephone for advice on filing alternatives. FOR FURTHER INFORMATION CONTACT: Stephen L. Sharfman, General Counsel, at 202-789-6820. SUPPLEMENTARY INFORMATION: Table of Contents I. Introduction II. Contents of...

  3. 77 FR 41973 - Proposed Information Collection; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-07-17

    ...: Corporation for National and Community Service, National Civilian Community Corps; Attention Colleen Clay... to: (202) 606-3459, Attention: Colleen Clay, Assistant Director. (4) Electronically through www... CONTACT: Colleen Clay, (202) 606-7561, or by email at [email protected] . SUPPLEMENTARY INFORMATION: CNCS is...

  4. Cytogenetic map of common bean (Phaseolus vulgaris L.)

    PubMed Central

    Fonsêca, Artur; Ferreira, Joana; dos Santos, Tiago Ribeiro Barros; Mosiolek, Magdalena; Bellucci, Elisa; Kami, James; Gepts, Paul; Geffroy, Valérie; Schweizer, Dieter; dos Santos, Karla G. B.

    2010-01-01

    A cytogenetic map of common bean was built by in situ hybridization of 35 bacterial artificial chromosomes (BACs) selected with markers mapping to eight linkage groups, plus two plasmids for 5S and 45S ribosomal DNA and one bacteriophage. Together with three previously mapped chromosomes (chromosomes 3, 4, and 7), 43 anchoring points between the genetic map and the cytogenetic map of the species are now available. Furthermore, a subset of four BAC clones was proposed to identify the 11 chromosome pairs of the standard cultivar BAT93. Three of these BACs labelled more than a single chromosome pair, indicating the presence of repetitive DNA in their inserts. A repetitive distribution pattern was observed for most of the BACs; for 38% of them, highly repetitive pericentromeric or subtelomeric signals were observed. These distribution patterns corresponded to pericentromeric and subtelomeric heterochromatin blocks observed with other staining methods. Altogether, the results indicate that around half of the common bean genome is heterochromatic and that genes and repetitive sequences are intermingled in the euchromatin and heterochromatin of the species. Electronic supplementary material The online version of this article (doi:10.1007/s10577-010-9129-8) contains supplementary material, which is available to authorized users. PMID:20449646

  5. NetCTLpan: pan-specific MHC class I pathway epitope predictions

    PubMed Central

    Larsen, Mette Voldby; Lundegaard, Claus; Nielsen, Morten

    2010-01-01

    Reliable predictions of immunogenic peptides are essential in rational vaccine design and can minimize the experimental effort needed to identify epitopes. In this work, we describe a pan-specific major histocompatibility complex (MHC) class I epitope predictor, NetCTLpan. The method integrates predictions of proteasomal cleavage, transporter associated with antigen processing (TAP) transport efficiency, and MHC class I binding affinity into a MHC class I pathway likelihood score and is an improved and extended version of NetCTL. The NetCTLpan method performs predictions for all MHC class I molecules with known protein sequence and allows predictions for 8-, 9-, 10-, and 11-mer peptides. In order to meet the need for a low false positive rate, the method is optimized to achieve high specificity. The method was trained and validated on large datasets of experimentally identified MHC class I ligands and cytotoxic T lymphocyte (CTL) epitopes. It has been reported that MHC molecules are differentially dependent on TAP transport and proteasomal cleavage. Here, we did not find any consistent signs of such MHC dependencies, and the NetCTLpan method is implemented with fixed weights for proteasomal cleavage and TAP transport for all MHC molecules. The predictive performance of the NetCTLpan method was shown to outperform other state-of-the-art CTL epitope prediction methods. Our results further confirm the importance of using full-type human leukocyte antigen restriction information when identifying MHC class I epitopes. Using the NetCTLpan method, the experimental effort to identify 90% of new epitopes can be reduced by 15% and 40%, respectively, when compared to the NetMHCpan and NetCTL methods. The method and benchmark datasets are available at http://www.cbs.dtu.dk/services/NetCTLpan/. Electronic supplementary material The online version of this article (doi:10.1007/s00251-010-0441-4) contains supplementary material, which is available to authorized users. PMID:20379710

  6. 78 FR 53704 - Employee Retirement Benefit Plan Returns Required on Magnetic Media

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-30

    ... at (202) 622-7180 (not toll-free numbers). SUPPLEMENTARY INFORMATION: Background Electronic filing of... Actuarial Information,'' and the Schedule MB, ``Multiemployer Defined Benefit Plan and Certain Money... its successor). (ii) Multiemployer and certain money purchase plans. For multiemployer and certain...

  7. Main Determinants of Supplementary Health Insurance Demand: (Case of Iran).

    PubMed

    Nouraei Motlagh, Soraya; Abolghasem Gorji, Hassan; Mahdavi, Ghadir; Ghaderi, Hossein

    2015-04-23

    In the majority of developing countries, the volume of medical insurance services, provided by social insurance organizations is inadequate. Thus, supplementary medical insurance is proposed as a means to address inadequacy of medical insurance. Accordingly, in this article, we attempted to provide the context for expansion of this important branch of insurance through identification of essential factors affecting demand for supplementary medical insurance. In this study, two methods were used to identify essential factors affecting choice of supplementary medical insurance including Classification and Regression Trees (CART) and Bayesian logit. To this end, Excel® software was used to refine data and R® software for estimation. The present study was conducted during 2012, covering all provinces in Iran. Sample size included 18,541 urban households, selected by Statistical Center of Iran using 3-stage cluster sampling approach. In this study, all data required were collected from the Statistical Center of Iran. In 2012, an overall 8.04% of the Iranian population benefited from supplementary medical insurance. Demand for supplementary insurance is a concave function of age of the household head, and peaks in middle-age when savings and income are highest. The present study results showed greater likelihood of demand for supplementary medical insurance in households with better economic status, higher educated heads, female heads, and smaller households with greater expected medical expenses, and household income is the most important factor affecting demand for supplementary medical insurance. Since demand for supplementary medical insurance is hugely influenced by households' economic status, policy-makers in the health sector should devise measures to improve households' economic or financial access to supplementary insurance services, by identifying households in the lower economic deciles, and increasing their financial ability to pay. Moreover, insurance companies should adjust their insurance policy according to clients' needs, household characteristics, and their incomes.

  8. Enantioselective construction of C-chiral allylic sulfilimines via the iridium-catalyzed allylic amination with S,S-diphenylsulfilimine: asymmetric synthesis of primary allylic amines† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c4sc01317d Click here for additional data file.

    PubMed Central

    Grange, Rebecca L.; Clizbe, Elizabeth A.; Counsell, Emma J.

    2015-01-01

    We have devised a highly regio- and enantioselective iridium-catalyzed allylic amination reaction with the sulfur-stabilized aza-ylide, S,S-diphenylsulfilimine. This process provides a robust and scalable method for the construction of aryl-, alkyl- and alkenyl-substituted C-chiral allylic sulfilimines, which are important functional groups for organic synthesis. Additionally, the combination of the allylic amination with an in situ deprotection of the sulfilimine constitutes a convenient one-pot protocol for the construction of chiral nonracemic primary allylic amines. PMID:28936319

  9. A flow cytometry assay to quantify intercellular exchange of membrane components† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc00260b Click here for additional data file.

    PubMed Central

    Poulcharidis, Dimitrios; Belfor, Kimberley

    2017-01-01

    Membrane-compound exchange is vital for cell-to-cell communication, yet quantification of this process is difficult. Here we present a method using flow cytometry in combination with bioorthogonal and fluorescent labelling techniques to quantify the amount of exchange of cholesterol and sialylated compounds between cells. We demonstrate that direct cell–cell contact is the likely mechanism of sterol-exchange and show that by manipulating the contact time between cells using complementary coiled-coil peptides results in an enhanced exchange rate of membrane components between cells. PMID:28970937

  10. Structural, electronic and magnetic properties of Ti n Mo ( n = 1 - 7) clusters

    NASA Astrophysics Data System (ADS)

    Zhang, Ge; Zhai, Zhongyuan; Sheng, Yong

    2017-04-01

    The ground state structures of TinMo and Tin+1 (n = 1 - 7) clusters and their structural, electronic and magnetic properties are investigated with the density functional method at B3LYP/LanL2DZ level. One Mo atom substituted Tin+1 structure is the dominant growth pattern, and the TinMo clusters exhibit enhanced structural stabilities according to the averaged binding energies. The electronic properties are also discussed by investigating chemical hardness and HOMO-LUMO energy gap. The results reveal that Ti3Mo and Ti5Mo keep higher chemical stabilities when compared with the other clusters. For all the studied clusters, the Mo atoms always get electrons from Ti atoms and present negative charges. Moreover, the doping of Mo in the bare titanium clusters can alter the magnetic moments of them. Ti3Mo and Ti5Mo show relatively large total magnetic moments, which may be related to the presence of exchange splitting behavior in their densities of states. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-70589-8

  11. Deep learning-based subdivision approach for large scale macromolecules structure recovery from electron cryo tomograms

    PubMed Central

    Xu, Min; Chai, Xiaoqi; Muthakana, Hariank; Liang, Xiaodan; Yang, Ge; Zeev-Ben-Mordehai, Tzviya; Xing, Eric P.

    2017-01-01

    Abstract Motivation: Cellular Electron CryoTomography (CECT) enables 3D visualization of cellular organization at near-native state and in sub-molecular resolution, making it a powerful tool for analyzing structures of macromolecular complexes and their spatial organizations inside single cells. However, high degree of structural complexity together with practical imaging limitations makes the systematic de novo discovery of structures within cells challenging. It would likely require averaging and classifying millions of subtomograms potentially containing hundreds of highly heterogeneous structural classes. Although it is no longer difficult to acquire CECT data containing such amount of subtomograms due to advances in data acquisition automation, existing computational approaches have very limited scalability or discrimination ability, making them incapable of processing such amount of data. Results: To complement existing approaches, in this article we propose a new approach for subdividing subtomograms into smaller but relatively homogeneous subsets. The structures in these subsets can then be separately recovered using existing computation intensive methods. Our approach is based on supervised structural feature extraction using deep learning, in combination with unsupervised clustering and reference-free classification. Our experiments show that, compared with existing unsupervised rotation invariant feature and pose-normalization based approaches, our new approach achieves significant improvements in both discrimination ability and scalability. More importantly, our new approach is able to discover new structural classes and recover structures that do not exist in training data. Availability and Implementation: Source code freely available at http://www.cs.cmu.edu/∼mxu1/software. Contact: mxu1@cs.cmu.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:28881965

  12. Water-assisted crystallization of mesoporous anatase TiO2 nanospheres

    NASA Astrophysics Data System (ADS)

    Li, Na; Zhang, Qiao; Joo, Ji Bong; Lu, Zhenda; Dahl, Michael; Gan, Yang; Yin, Yadong

    2016-04-01

    We report a facile water-assisted crystallization process for the conversion of amorphous sol-gel derived TiO2 into mesoporous anatase nanostructures with a high surface area and well-controlled porosity and crystallinity. As an alternative to conventional calcination methods, this approach works under very mild conditions and is therefore much desired for broad biological, environmental and catalytic applications.We report a facile water-assisted crystallization process for the conversion of amorphous sol-gel derived TiO2 into mesoporous anatase nanostructures with a high surface area and well-controlled porosity and crystallinity. As an alternative to conventional calcination methods, this approach works under very mild conditions and is therefore much desired for broad biological, environmental and catalytic applications. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01892k

  13. Multiphoton luminescent graphene quantum dots for in vivo tracking of human adipose-derived stem cells

    NASA Astrophysics Data System (ADS)

    Kim, Jin; Song, Sung Ho; Jin, Yoonhee; Park, Hyun-Ji; Yoon, Hyewon; Jeon, Seokwoo; Cho, Seung-Woo

    2016-04-01

    The applicability of graphene quantum dots (GQDs) for the in vitro and in vivo live imaging and tracking of different types of human stem cells is investigated. GQDs synthesized by the modified graphite intercalated compound method show efficient cellular uptake with improved biocompatibility and highly sensitive optical properties, indicating their feasibility as a bio-imaging probe for stem cell therapy.The applicability of graphene quantum dots (GQDs) for the in vitro and in vivo live imaging and tracking of different types of human stem cells is investigated. GQDs synthesized by the modified graphite intercalated compound method show efficient cellular uptake with improved biocompatibility and highly sensitive optical properties, indicating their feasibility as a bio-imaging probe for stem cell therapy. Electronic supplementary information (ESI) available: Additional results. See DOI: 10.1039/c6nr02143c

  14. Label-free and pH-sensitive colorimetric materials for the sensing of urea

    NASA Astrophysics Data System (ADS)

    Li, Lu; Long, Yue; Gao, Jin-Ming; Song, Kai; Yang, Guoqiang

    2016-02-01

    This communication demonstrates a facile method for naked-eye detection of urea based on the structure color change of pH-sensitive photonic crystals. The insertion of urease provides excellent selectivity over other molecules. The detection of urea in different concentration ranges could be realized by changing the molar ratio between the functional monomer and cross-linker.This communication demonstrates a facile method for naked-eye detection of urea based on the structure color change of pH-sensitive photonic crystals. The insertion of urease provides excellent selectivity over other molecules. The detection of urea in different concentration ranges could be realized by changing the molar ratio between the functional monomer and cross-linker. Electronic supplementary information (ESI) available: Materials and chemicals, characterization, experimental details, and SEM images. See DOI: 10.1039/c5nr07690k

  15. 77 FR 65183 - Proposed Information Collection; Comment Request

    Federal Register 2010, 2011, 2012, 2013, 2014

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    ...: Corporation for National and Community Service, Attn.: Bruce Kellogg, 3809C, 1201 New York Avenue NW..., except Federal holidays. (3) By fax to: (202) 606-3492, Attn.: Bruce Kellogg. (4) Electronically through... INFORMATION CONTACT: Bruce Kellogg, (202) 606-6954, or by email at [email protected] . SUPPLEMENTARY...

  16. 77 FR 34123 - Information Collection Available for Public Comments and Recommendations

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  17. 78 FR 77712 - Calcium Hypochlorite From China: Institution of Antidumping and Countervailing Duty...

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  18. 77 FR 77187 - Electronic Fund Transfers (Regulation E)

    Federal Register 2010, 2011, 2012, 2013, 2014

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  19. 76 FR 27636 - Permits; Foreign Fishing

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  20. 78 FR 75451 - Special Conditions: Cessna Model 750 Series Airplanes; Aircraft Electronic System Security...

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    ... design feature associated with the architecture and connectivity capabilities of the airplanes' computer... the comment for an association, business, labor union, etc.). DOT's complete Privacy Act Statement can...; facsimile 425-227-1149. SUPPLEMENTARY INFORMATION: The proposed network architecture includes the following...

  1. 78 FR 75453 - Special Conditions: Cessna Model 750 Series Airplanes; Aircraft Electronic System Security...

    Federal Register 2010, 2011, 2012, 2013, 2014

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  2. Improving the Efficiency of Physical Examination Services

    PubMed Central

    Chih, Mingchang; Bair, Aaron E.

    2009-01-01

    The objective of our project was to improve the efficiency of the physical examination screening service of a large hospital system. We began with a detailed simulation model to explore the relationships between four performance measures and three decision factors. We then attempted to identify the optimal physician inquiry starting time by solving a goal-programming problem, where the objective function includes multiple goals. One of our simulation results shows that the proposed optimal physician inquiry starting time decreased patient wait times by 50% without increasing overall physician utilization. Electronic supplementary material  The online version of this article (doi:10.1007/s10916-009-9271-z) contains supplementary material, which is available to authorized users. PMID:20703912

  3. Catalac free electron laser

    DOEpatents

    Brau, Charles A.; Swenson, Donald A.; Boyd, Jr., Thomas J.

    1982-01-01

    A catalac free electron laser using a rf linac (catalac) which acts as a catalyst to accelerate an electron beam in an initial pass through the catalac and decelerate the electron beam during a second pass through the catalac. During the second pass through the catalac, energy is extracted from the electron beam and transformed to energy of the accelerating fields of the catalac to increase efficiency of the device. Various embodiments disclose the use of post linacs to add electron beam energy extracted by the wiggler and the use of supplementary catalacs to extract energy at various energy peaks produced by the free electron laser wiggler to further enhance efficiency of the catalac free electron laser. The catalac free electron laser can be used in conjunction with a simple resonator, a ring resonator or as an amplifier in conjunction with a master oscillator laser.

  4. Catalac free electron laser

    DOEpatents

    Brau, C.A.; Swenson, D.A.; Boyd, T.J. Jr.

    1979-12-12

    A catalac free electron laser using a rf linac (catalac) which acts as a catalyst to accelerate an electron beam in an initial pass through the catalac and decelerate the electron beam during a second pass through the catalac is described. During the second pass through the catalac, energy is extracted from the electron beam and transformed to energy of the accelerating fields of the catalac to increase efficiency of the device. Various embodiments disclose the use of post linacs to add electron beam energy extracted by the wiggler and the use of supplementary catalacs to extract energy at various energy peaks produced by the free electron laser wiggler to further enhance efficiency of the catalac free electron laser. The catalac free electron laser can be used in conjunction with a simple resonator, a ring resonator, or as an amplifier in conjunction with a master oscillator laser.

  5. 75 FR 16484 - Agency Information Collection Activities; Proposed Collection; Comment Request; Open Government...

    Federal Register 2010, 2011, 2012, 2013, 2014

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  6. 78 FR 17223 - Notice of Proposed Information Collection; Comment Request: Multifamily Housing-Utility Allowance...

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  7. 75 FR 77781 - Amendment of the Commission's Rules Governing Hearing Aid-Compatible Mobile Handsets...

    Federal Register 2010, 2011, 2012, 2013, 2014

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    Federal Register 2010, 2011, 2012, 2013, 2014

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  9. 75 FR 69909 - Approval and Promulgation of Implementation Plans; Texas; Emissions Banking and Trading of...

    Federal Register 2010, 2011, 2012, 2013, 2014

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  11. Correcting Misconceptions on Electronics: Effects of a Simulation-Based Learning Environment Backed by a Conceptual Change Model

    ERIC Educational Resources Information Center

    Chen, Yu-Lung; Pan, Pei-Rong; Sung, Yao-Ting; Chang, Kuo-En

    2013-01-01

    Computer simulation has significant potential as a supplementary tool for effective conceptual-change learning based on the integration of technology and appropriate instructional strategies. This study elucidates misconceptions in learning on diodes and constructs a conceptual-change learning system that incorporates…

  12. Evidence of Adverse Selection in Iranian Supplementary Health Insurance Market

    PubMed Central

    Mahdavi, Gh; Izadi, Z

    2012-01-01

    Background: Existence or non-existence of adverse selection in insurance market is one of the important cases that have always been considered by insurers. Adverse selection is one of the consequences of asymmetric information. Theory of adverse selection states that high-risk individuals demand the insurance service more than low risk individuals do. Methods: The presence of adverse selection in Iran’s supplementary health insurance market is tested in this paper. The study group consists of 420 practitioner individuals aged 20 to 59. We estimate two logistic regression models in order to determine the effect of individual’s characteristics on decision to purchase health insurance coverage and loss occurrence. Using the correlation between claim occurrence and decision to purchase health insurance, the adverse selection problem in Iranian supplementary health insurance market is examined. Results: Individuals with higher level of education and income level purchase less supplementary health insurance and make fewer claims than others make and there is positive correlation between claim occurrence and decision to purchase supplementary health insurance. Conclusion: Our findings prove the evidence of the presence of adverse selection in Iranian supplementary health insurance market. PMID:23113209

  13. X-Ray Diagnostics of Laser-Produced Aluminum Plasmas

    DTIC Science & Technology

    1976-06-01

    n.n g (E /kT ) ’ (24) ff r l e ff H e but shoys re spectral dependence on T [29]. Thus in the e visible region, electron density can be extracted...abetract entered In Block 20, It different from Report) 18. SUPPLEMENTARY NOTES 19. KEY WORDS ’Continue on reveree aide it neceaaary and Identity by block...Continue on reveree tide It naceeeary and identity by block number) Electron temperatures have been evaluated using the x-ray emission from plasmas

  14. Cu/Mn bimetallic catalysis enables carbonylative Suzuki–Miyaura coupling with unactivated alkyl electrophiles† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc01170a Click here for additional data file.

    PubMed Central

    Pye, Dominic R.; Cheng, Li-Jie

    2017-01-01

    A bimetallic system consisting of Cu-carbene and Mn-carbonyl co-catalysts was employed for carbonylative C–C coupling of arylboronic esters with alkyl halides, allowing for the convergent synthesis of ketones. The system operates under mild conditions and exhibits complementary reactivity to Pd catalysis. The method is compatible with a wide range of arylboronic ester nucleophiles and proceeds smoothly for both primary and secondary alkyl iodide electrophiles. Preliminary mechanistic experiments corroborate a hypothetical catalytic mechanism consisting of co-dependent cycles wherein the Cu-carbene co-catalyst engages in transmetallation to generate an organocopper nucleophile, while the Mn-carbonyl co-catalyst activates the alkyl halide electrophile by single-electron transfer and then undergoes reversible carbonylation to generate an acylmanganese electrophile. The two cycles then intersect with a heterobimetallic, product-releasing C–C coupling step. PMID:28966784

  15. Evaluation the pozzolanic reactivity of sonochemically fabricated nano natural pozzolan.

    PubMed

    Askarinejad, Azadeh; Pourkhorshidi, Ali Reza; Parhizkar, Tayebeh

    2012-01-01

    Natural pozzolans are appropriate supplementary cementitious materials in cement and concrete industry. A simple sonochemical method was developed to synthesize nanostructures of natural pozzolan. Chemical composition, crystallinity, morphology and reactivity of the natural pozzolan samples were compared before and after the sonochemical process, by using powder X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Thermal Gravimetry and Differential Thermal Analysis (TG/DTA). Compressive strength tests were performed to evaluate the properties of blended cements incorporating nano natural pozzolan. Under optimized conditions, the nano natural pozzolans showed a superior reactivity as compared with the bulk natural pozzolan. Also higher compressive strength was obtained for the cement specimen incorporating nano natural pozzolan. Copyright © 2011 Elsevier Ltd. All rights reserved.

  16. Stereocontrolled semi-syntheses of deguelin and tephrosin† †Electronic supplementary information (ESI) available: 1H and 13C NMR spectra. See DOI: 10.1039/c6ob02659a Click here for additional data file.

    PubMed Central

    Russell, David A.; Freudenreich, Julien J.; Ciardiello, Joe J.; Sore, Hannah F.

    2017-01-01

    We describe stereocontrolled semi-syntheses of deguelin and tephrosin, anti-cancer rotenoids isolated from Tephrosia vogelii. Firstly, we present a new two-step transformation of rotenone into rot-2′-enonic acid via a zinc-mediated ring opening of rotenone hydrobromide. Secondly, following conversion of rot-2′-enonic acid into deguelin, a chromium-mediated hydroxylation provides tephrosin as a single diastereoisomer. An Étard-like reaction mechanism is proposed to account for the stereochemical outcome. Our syntheses of deguelin and tephrosin are operationally simple, scalable and high yielding, offering considerable advantages over previous methods. PMID:28134391

  17. Doping of wide-bandgap titanium-dioxide nanotubes: optical, electronic and magnetic properties

    NASA Astrophysics Data System (ADS)

    Alivov, Yahya; Singh, Vivek; Ding, Yuchen; Cerkovnik, Logan Jerome; Nagpal, Prashant

    2014-08-01

    Doping semiconductors is an important step for their technological application. While doping bulk semiconductors can be easily achieved, incorporating dopants in semiconductor nanostructures has proven difficult. Here, we report a facile synthesis method for doping titanium-dioxide (TiO2) nanotubes that was enabled by a new electrochemical cell design. A variety of optical, electronic and magnetic dopants were incorporated into the hollow nanotubes, and from detailed studies it is shown that the doping level can be easily tuned from low to heavily-doped semiconductors. Using desired dopants - electronic (p- or n-doped), optical (ultraviolet bandgap to infrared absorption in co-doped nanotubes), and magnetic (from paramagnetic to ferromagnetic) properties can be tailored, and these technologically important nanotubes can be useful for a variety of applications in photovoltaics, display technologies, photocatalysis, and spintronic applications.Doping semiconductors is an important step for their technological application. While doping bulk semiconductors can be easily achieved, incorporating dopants in semiconductor nanostructures has proven difficult. Here, we report a facile synthesis method for doping titanium-dioxide (TiO2) nanotubes that was enabled by a new electrochemical cell design. A variety of optical, electronic and magnetic dopants were incorporated into the hollow nanotubes, and from detailed studies it is shown that the doping level can be easily tuned from low to heavily-doped semiconductors. Using desired dopants - electronic (p- or n-doped), optical (ultraviolet bandgap to infrared absorption in co-doped nanotubes), and magnetic (from paramagnetic to ferromagnetic) properties can be tailored, and these technologically important nanotubes can be useful for a variety of applications in photovoltaics, display technologies, photocatalysis, and spintronic applications. Electronic supplementary information (ESI) available: See DOI: 10.1039/c4nr02417f

  18. Etching-free patterning method for electrical characterization of atomically thin MoSe2 films grown by chemical vapor deposition

    NASA Astrophysics Data System (ADS)

    Utama, M. Iqbal Bakti; Lu, Xin; Zhan, Da; Ha, Son Tung; Yuan, Yanwen; Shen, Zexiang; Xiong, Qihua

    2014-10-01

    Patterning two-dimensional materials into specific spatial arrangements and geometries is essential for both fundamental studies of materials and practical applications in electronics. However, the currently available patterning methods generally require etching steps that rely on complicated and expensive procedures. We report here a facile patterning method for atomically thin MoSe2 films using stripping with an SU-8 negative resist layer exposed to electron beam lithography. Additional steps of chemical and physical etching were not necessary in this SU-8 patterning method. The SU-8 patterning was used to define a ribbon channel from a field effect transistor of MoSe2 film, which was grown by chemical vapor deposition. The narrowing of the conduction channel area with SU-8 patterning was crucial in suppressing the leakage current within the device, thereby allowing a more accurate interpretation of the electrical characterization results from the sample. An electrical transport study, enabled by the SU-8 patterning, showed a variable range hopping behavior at high temperatures.Patterning two-dimensional materials into specific spatial arrangements and geometries is essential for both fundamental studies of materials and practical applications in electronics. However, the currently available patterning methods generally require etching steps that rely on complicated and expensive procedures. We report here a facile patterning method for atomically thin MoSe2 films using stripping with an SU-8 negative resist layer exposed to electron beam lithography. Additional steps of chemical and physical etching were not necessary in this SU-8 patterning method. The SU-8 patterning was used to define a ribbon channel from a field effect transistor of MoSe2 film, which was grown by chemical vapor deposition. The narrowing of the conduction channel area with SU-8 patterning was crucial in suppressing the leakage current within the device, thereby allowing a more accurate interpretation of the electrical characterization results from the sample. An electrical transport study, enabled by the SU-8 patterning, showed a variable range hopping behavior at high temperatures. Electronic supplementary information (ESI) available: Further experiments on patterning and additional electrical characterizations data. See DOI: 10.1039/c4nr03817g

  19. Counting vacancies and nitrogen-vacancy centers in detonation nanodiamond† †Electronic supplementary information (ESI) available: (1) DND synthesis; (2) HRTEM and EELS characterization methods; (3) EELS simulation method; (4) supporting figures of EELS simulations; (5) soft-X-ray K-edge spectra of the DND; and (6) ab initio N-V center modeling method. See DOI: 10.1039/C6NR01888B Click here for additional data file.

    PubMed Central

    Barnard, Amanda S.; Dwyer, Christian; Boothroyd, Chris B.; Hocking, Rosalie K.; Ōsawa, Eiji

    2016-01-01

    Detonation nanodiamond particles (DND) contain highly-stable nitrogen-vacancy (N-V) centers, making it important for quantum-optical and biotechnology applications. However, due to the small particle size, the N-V concentrations are believed to be intrinsically very low, spawning efforts to understand the formation of N-V centers and vacancies, and increase their concentration. Here we show that vacancies in DND can be detected and quantified using simulation-aided electron energy loss spectroscopy. Despite the small particle size, we find that vacancies exist at concentrations of about 1 at%. Based on this experimental finding, we use ab initio calculations to predict that about one fifth of vacancies in DND form N-V centers. The ability to directly detect and quantify vacancies in DND, and predict the corresponding N-V formation probability, has a significant impact to those emerging technologies where higher concentrations and better dispersion of N-V centres are critically required. PMID:27147128

  20. A high-throughput colorimetric assay for glucose detection based on glucose oxidase-catalyzed enlargement of gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Xiong, Yanmei; Zhang, Yuyan; Rong, Pengfei; Yang, Jie; Wang, Wei; Liu, Dingbin

    2015-09-01

    We developed a simple high-throughput colorimetric assay to detect glucose based on the glucose oxidase (GOx)-catalysed enlargement of gold nanoparticles (AuNPs). Compared with the currently available glucose kit method, the AuNP-based assay provides higher clinical sensitivity at lower cost, indicating its great potential to be a powerful tool for clinical screening of glucose.We developed a simple high-throughput colorimetric assay to detect glucose based on the glucose oxidase (GOx)-catalysed enlargement of gold nanoparticles (AuNPs). Compared with the currently available glucose kit method, the AuNP-based assay provides higher clinical sensitivity at lower cost, indicating its great potential to be a powerful tool for clinical screening of glucose. Electronic supplementary information (ESI) available: Experimental section and additional figures. See DOI: 10.1039/c5nr03758a

  1. Palladium(ii)-catalyzed synthesis of dibenzothiophene derivatives via the cleavage of carbon–sulfur and carbon–hydrogen bonds† †Electronic supplementary information (ESI) available: Experimental procedures and characterization data for all new compounds. See DOI: 10.1039/c5sc04890g Click here for additional data file.

    PubMed Central

    Masuya, Yoshihiro; Baba, Katsuaki

    2016-01-01

    A new process has been developed for the palladium(ii)-catalyzed synthesis of dibenzothiophene derivatives via the cleavage of C–H and C–S bonds. In contrast to the existing methods for the synthesis of this scaffold by C–H functionalization, this new catalytic C–H/C–S coupling method does not require the presence of an external stoichiometric oxidant or reactive functionalities such as C–X or S–H, allowing its application to the synthesis of elaborate π-systems. Notably, the product-forming step of this reaction lies in an oxidative addition step rather than a reductive elimination step, making this reaction mechanistically uncommon. PMID:28660030

  2. Photoluminescent silicon nanocrystals with chlorosilane surfaces - synthesis and reactivity

    NASA Astrophysics Data System (ADS)

    Höhlein, Ignaz M. D.; Kehrle, Julian; Purkait, Tapas K.; Veinot, Jonathan G. C.; Rieger, Bernhard

    2014-12-01

    We present a new efficient two-step method to covalently functionalize hydride terminated silicon nanocrystals with nucleophiles. First a reactive chlorosilane layer was formed via diazonium salt initiated hydrosilylation of chlorodimethyl(vinyl)silane which was then reacted with alcohols, silanols and organolithium reagents. With organolithium compounds a side reaction is observed in which a direct functionalization of the silicon surface takes place.We present a new efficient two-step method to covalently functionalize hydride terminated silicon nanocrystals with nucleophiles. First a reactive chlorosilane layer was formed via diazonium salt initiated hydrosilylation of chlorodimethyl(vinyl)silane which was then reacted with alcohols, silanols and organolithium reagents. With organolithium compounds a side reaction is observed in which a direct functionalization of the silicon surface takes place. Electronic supplementary information (ESI) available: Detailed experimental procedures and additional NMR, PL, EDX, DLS and TEM data. See DOI: 10.1039/C4NR05888G

  3. 75 FR 47059 - Notice To Rescind Notice of Intent To Prepare an Environmental Impact Statement: Warren County, IA

    Federal Register 2010, 2011, 2012, 2013, 2014

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  4. 77 FR 56905 - Self-Regulatory Organizations; NYSE MKT LLC; Order Approving Proposed Rule Change Amending Rule...

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  8. 78 FR 23332 - Unblocking of One Specially Designated Global Terrorist Pursuant to Executive Order 13224

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    2013-04-18

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  9. TARDEC’s VICTORY SIL is a Key Tool for Advancing Standardized Ground Vehicle Electronic Architecture

    DTIC Science & Technology

    2012-08-06

    SUPPLEMENTARY NOTES Submitted to 2012 NDIA Ground Vehicle Systems Engineering and Technology Symposium August 14-16 Troy , Michigan 14. ABSTRACT VICTORY...Timing, Threat and Remote Weapons Station. The results were very encouraging with very low power consumption (3.15 Watts ), less than 1% system

  10. 75 FR 74673 - Approval and Promulgation of Implementation Plans; Georgia: Stage II Vapor Recovery

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-01

    ... includes multiple modifications to Georgia's Air Quality Rules found at Chapter 391-3-1. Previously, EPA...., Atlanta, Georgia 30303-8960. 5. Hand Delivery or Courier: Ms. Lynorae Benjamin, Regulatory Development... (404) 562-9029. Ms. Spann can also be reached via electronic mail at [email protected]epa.gov . SUPPLEMENTARY...

  11. 76 FR 50815 - TSCA Inventory Update Reporting Modifications; Chemical Data Reporting

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    Federal Register 2010, 2011, 2012, 2013, 2014

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  13. Erratum: Correction to: Rearrangements of Open Magnetic Flux and Formation of Polar Coronal Holes in Cycle 24

    NASA Astrophysics Data System (ADS)

    Golubeva, E. M.; Mordvinov, A. V.

    2017-12-01

    Correction to: Solar Phys DOI 10.1007/s11207-017-1200-6 Due to an error during processing the Electronic Supplementary Material (ESM) supplied by the author was not included with the article. Please find in this correction document the reference to the ESM.

  14. 78 FR 3940 - Self-Regulatory Organizations; The NASDAQ Stock Market LLC; Notice of Filing and Immediate...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-01-17

    ... Report regarding a Nasdaq security through the NasdaqTrader.com Web site shall be determined in... improvement of web functionality and the inclusion of supplementary equity information, but has not increased... dark pools and electronic communication networks (``ECNs''). Each SRO market competes to produce...

  15. A Supplementary Program for Environmental Education, Industrial Arts, Grade 9-12.

    ERIC Educational Resources Information Center

    Warpinski, Robert

    Presented in this teacher's guide for grades 7-12 are lessons plans and ideas for integrating industrial arts (power mechanics, graphic arts, plastics, and electricity/electronics) and environmental education. Each lesson originates with a fundamental concept pertaining to the environment and states, in addition, its discipline area, subject area,…

  16. 78 FR 68460 - Draft Guidance for Industry on Frequently Asked Questions About Medical Foods; Second Edition...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-14

    ... interested persons additional time to submit comments. DATES: Submit either electronic or written comments by....gov . Submit written comments to the Division of Dockets Management (HFA-305), Food and Drug... Branch Pkwy., College Park, MD 20740, 240-402-1783. SUPPLEMENTARY INFORMATION: I. Background In the...

  17. Polyethyleneimine functionalized platinum superstructures: enhancing hydrogen evolution performance by morphological and interfacial control† †Electronic supplementary information (ESI) available: Experimental details and additional physical characterization. See DOI: 10.1039/c7sc04109h

    PubMed Central

    Xu, Guang-Rui; Bai, Juan; Jiang, Jia-Xing

    2017-01-01

    The electrocatalytic hydrogen evolution reaction (HER) is a highly promising green method for sustainable and efficient hydrogen production. So far, Pt nanocrystals are still the most active electrocatalysts for the HER in acidic media, although a tremendous search for alternatives has been done in the past decade. In this work, we synthesize polyethyleneimine (PEI) functionalized Pt superstructures (Pt-SSs@PEI) with tetragonal, hierarchical, and branched morphologies with a facile wet chemical reduction method. A series of physical characterizations are conducted to investigate the morphology, electronic structure, surface composition, and formation mechanism of Pt-SSs@PEI. Impressively, the as-prepared Pt-SSs@PEI show an unprecedented onset reduction potential (+64.6 mV vs. reversible hydrogen electrode) for the HER in strong acidic media due to the protonation of –NH2 groups in the PEI adlayers on the Pt surface, and they outperform all currently reported HER electrocatalysts. The work highlights a highly effective interface-engineering strategy for improving the electrocatalytic performance of Pt nanocrystals for the HER. PMID:29619188

  18. What Does It Mean to Be a Girl? Teachers' Representations of Gender in Supplementary Reading Materials for South African Schools

    ERIC Educational Resources Information Center

    Dentith, Audrey M.; Sailors, Misty; Sethusha, Mantsose

    2016-01-01

    Education reform, including methods to create greater gender equality, is an ongoing process in post-Apartheid South Africa. Using an African feminism theoretical framework and a critical content analysis approach, we examined the representation of female characters in a subset of supplementary reading titles created under an international…

  19. Investigation of Food Acceptability and Feeding Practices for Lipid Nutrient Supplements and Blended Flours Used to Treat Moderate Malnutrition

    ERIC Educational Resources Information Center

    Wang, Richard J.; Trehan, Indi; LaGrone, Lacey N.; Weisz, Ariana J.; Thakwalakwa, Chrissie M.; Maleta, Kenneth M.; Manary, Mark J.

    2013-01-01

    Objective: To examine acceptability and feeding practices associated with different supplementary food items and identify practices associated with weight gain. Methods: Caregivers (n = 409) whose children had been enrolled in a trial comparing a fortified corn-soy blended flour (CSB++), soy ready-to-use supplementary food (RUSF), and soy/whey…

  20. Methods and compositions using calcium carbonate

    DOEpatents

    Constantz, Brent R [Portola Valley, CA; Farsad, Kasra [San Jose, CA; Camire, Chris [San Jose, CA; Patterson, Joshua [Freedom, CA; Ginder-Vogel, Matthew [Los Gatos, CA; Yaccato, Karin [San Jose, CA; Stagnaro, John [Santa Clara, CA; Devenney, Martin [Mountain View, CA; Ries, Justin [Chapel Hill, NC

    2012-03-20

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  1. Methods and compositions using calcium carbonate

    DOEpatents

    Constantz, Brent R [Portola Valley, CA; Farsad, Kasra [San Jose, CA; Camire, Chris [San Jose, CA; Patterson, Joshua [Freedom, CA; Fernandez, Miguel [San Jose, CA; Yaccato, Karin [San Jose, CA; Thatcher, Ryan [Sunnyvale, CA; Stagnaro, John [Santa Clara, CA; Chen, Irvin [Santa Clara, CA; Omelon, Sidney [Willowdale, CA; Hodson, Keith [Palo Alto, CA; Clodic, Laurence [Sunnyvale, CA; Geramita, Katharine [Seattle, CA; Holland, Terence C [Auburn Township, OH; Ries, Justin [Chapel Hill, NC

    2012-02-14

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  2. Methods and compositions using calcium carbonate

    DOEpatents

    Constantz, Brent R [Portola Valley, CA; Farsad, Kasra [San Jose, CA; Camire, Chris [San Jose, CA; Chen, Irvin [San Jose, CA

    2011-04-12

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  3. Methods and compositions using calcium carbonate

    DOEpatents

    Constantz, Brent R [Portola Valley, CA; Farsad, Kasra [San Jose, CA; Camire, Chris [San Jose, CA; Chen, Irvin [Santa Clara, CA; Ginder-Vogel, Matthew [Los Gatos, CA; Fernandez, Miguel [San Jose, CA

    2012-05-15

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  4. Methods and compositions using calcium carbonate

    DOEpatents

    Constantz, Brent R [Portola Valley, CA; Farsad, Kasra [San Jose, CA; Camire, Chris [San Jose, CA; Patterson, Joshua [Freedom, CA; Ginder-Vogel, Matthew [Los Gatos, CA; Yaccato, Karin [San Jose, CA; Stagnaro, John [Santa Clara, CA; Devenney, Martin [Mountain View, CA; Ries, Justin [Chapel Hill, NC

    2011-11-22

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  5. Methods and compositions using calcium carbonate

    DOEpatents

    Chen, Irvin; Fernandez, Miguel; Patterson, Joshua; Devenney, Martin

    2015-01-13

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  6. Methods and compositions using calcium carbonate

    DOEpatents

    Chen, Irvin; Fernandez, Miguel; Patterson, Joshua; Devenney, Martin

    2015-06-16

    Provided herein are compositions and methods including hydraulic cement, supplementary cementitious material, and/or self-cementing material. Methods for making the compositions and using the compositions are provided.

  7. Rapid and precise determination of zero-field splittings by terahertz time-domain electron paramagnetic resonance spectroscopy† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc00830a Click here for additional data file.

    PubMed Central

    Lu, Jian; Ozel, I. Ozge; Belvin, Carina A.; Li, Xian; Skorupskii, Grigorii; Sun, Lei; Ofori-Okai, Benjamin K.; Dincă, Mircea; Gedik, Nuh

    2017-01-01

    Zero-field splitting (ZFS) parameters are fundamentally tied to the geometries of metal ion complexes. Despite their critical importance for understanding the magnetism and spectroscopy of metal complexes, they are not routinely available through general laboratory-based techniques, and are often inferred from magnetism data. Here we demonstrate a simple tabletop experimental approach that enables direct and reliable determination of ZFS parameters in the terahertz (THz) regime. We report time-domain measurements of electron paramagnetic resonance (EPR) signals associated with THz-frequency ZFSs in molecular complexes containing high-spin transition-metal ions. We measure the temporal profiles of the free-induction decays of spin resonances in the complexes at zero and nonzero external magnetic fields, and we derive the EPR spectra via numerical Fourier transformation of the time-domain signals. In most cases, absolute values of the ZFS parameters are extracted from the measured zero-field EPR frequencies, and the signs can be determined by zero-field measurements at two different temperatures. Field-dependent EPR measurements further allow refined determination of the ZFS parameters and access to the g-factor. The results show good agreement with those obtained by other methods. The simplicity of the method portends wide applicability in chemistry, biology and material science. PMID:29163882

  8. Population-scale three-dimensional reconstruction and quantitative profiling of microglia arbors

    PubMed Central

    Rey-Villamizar, Nicolas; Merouane, Amine; Lu, Yanbin; Mukherjee, Amit; Trett, Kristen; Chong, Peter; Harris, Carolyn; Shain, William; Roysam, Badrinath

    2015-01-01

    Motivation: The arbor morphologies of brain microglia are important indicators of cell activation. This article fills the need for accurate, robust, adaptive and scalable methods for reconstructing 3-D microglial arbors and quantitatively mapping microglia activation states over extended brain tissue regions. Results: Thick rat brain sections (100–300 µm) were multiplex immunolabeled for IBA1 and Hoechst, and imaged by step-and-image confocal microscopy with automated 3-D image mosaicing, producing seamless images of extended brain regions (e.g. 5903 × 9874 × 229 voxels). An over-complete dictionary-based model was learned for the image-specific local structure of microglial processes. The microglial arbors were reconstructed seamlessly using an automated and scalable algorithm that exploits microglia-specific constraints. This method detected 80.1 and 92.8% more centered arbor points, and 53.5 and 55.5% fewer spurious points than existing vesselness and LoG-based methods, respectively, and the traces were 13.1 and 15.5% more accurate based on the DIADEM metric. The arbor morphologies were quantified using Scorcioni’s L-measure. Coifman’s harmonic co-clustering revealed four morphologically distinct classes that concord with known microglia activation patterns. This enabled us to map spatial distributions of microglial activation and cell abundances. Availability and implementation: Experimental protocols, sample datasets, scalable open-source multi-threaded software implementation (C++, MATLAB) in the electronic supplement, and website (www.farsight-toolkit.org). http://www.farsight-toolkit.org/wiki/Population-scale_Three-dimensional_Reconstruction_and_Quanti-tative_Profiling_of_Microglia_Arbors Contact: broysam@central.uh.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25701570

  9. Etude, par principes premiers, des effets de la correlation entre electrons sur les proprietes electroniques et magnetiques de polymeres pontes et de supraconducteurs a haute temperature critique

    NASA Astrophysics Data System (ADS)

    Pesant, Simon

    Description of complex systems by Density functional theory is treated in this thesis. First, the Density functional theory and a few functionals used to simulate cristals are presented. Specifically, the LDA and GGA functionnals are described and their limits are exposed. Furthermore, the Hubbard model as well as the LDA+U functionnal are addressed in this chapter. These methods enable the study of highly correlated materials. Then, results obtained on polymers are summarized in two articles. The first one treats the band gap variation of ladder-type polymers compared to non ladder type ones. The second article considers small band gap polymers. In this case, it will be shown that an hybrid functional, which contains exact exchange, is required to describe the electronic properties of the polymers under study. Finally, the last chapter address the study of cuprates superconductors. The LDA+U can account for the localization of electrons in copper orbitals. Consequently, a study of the impact of this functionnal on electronic properties of cuprates is conducted. The chapter is ended by an article treating magnetic orders in doped La 2CuO4. Supplementary materials of the second article and a description of the theory of superconductivity of Bardeen, Cooper and Schrieffer are put in annex. Keywords : Electronic correlation, DFT, LDA+U, cuprates, polymers, magnetic orders

  10. 76 FR 55739 - Unblocking of One Specially Designated National or Blocked Person Pursuant to Executive Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-08

    ... Executive Order 13350 of July 30, 2004. DATES: The removal of this individual from the SDN List is effective...-2490. SUPPLEMENTARY INFORMATION: Electronic and Facsimile Availability The SDN List and additional... Executive Order 13315, as amended, should be removed from the SDN List. The following designation is removed...

  11. 77 FR 2777 - Unblocking of One Specially Designated National or Blocked Person Pursuant to Executive Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-19

    ... Executive Order 13350 of July 30, 2004. DATES: The removal of this individual from the SDN List is effective...) 622-2490. SUPPLEMENTARY INFORMATION: Electronic and Facsimile Availability The SDN List and additional... Executive Order 13315, as amended, should be removed from the SDN List. The following designation is removed...

  12. 76 FR 60129 - Unblocking of One Specially Designated National or Blocked Person Pursuant to Executive Order...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-28

    ... Executive Order 13350 of July 30, 2004. DATES: The removal of this individual from the SDN List is effective...-2490. SUPPLEMENTARY INFORMATION: Electronic and Facsimile Availability The SDN List and additional... blocked pursuant to Executive Order 13315, as amended, should be removed from the SDN List. The following...

  13. Ultrafast Nonlinear Microscopy in III-V Semiconductor Nanostructures

    DTIC Science & Technology

    2016-01-20

    SECURITY CLASSIFICATION OF: This project involved the investigation of the photoluminescence properties of individual ZnO nano-rods, characterization ...13. SUPPLEMENTARY NOTES 12. DISTRIBUTION AVAILIBILITY STATEMENT 6. AUTHORS 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 15. SUBJECT TERMS b...Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 ultrafast imaging, strained nanomaterials , electron-hole plasma dynamics, microscopy

  14. 77 FR 37751 - Representation Proceedings, Unfair Labor Practice Proceedings, and Miscellaneous and General...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-25

    ... initiative to make electronic filing, or ``eFiling,'' available to parties in all cases before the FLRA. Making eFiling available to its parties is another way in which the FLRA is using technology to improve... email: [email protected] . SUPPLEMENTARY INFORMATION: In the first stage of its eFiling initiative...

  15. 76 FR 63537 - Mandatory Electronic Filing for Agencies and Attorneys at Washington Regional Office and Denver...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-10-13

    ... believes e-filing would create an undue burden may request an exemption from the administrative [email protected] . SUPPLEMENTARY INFORMATION: 1. History of MSPB's E-Filing Initiative On February 26, 2008, MSPB issued final regulations at 5 CFR parts 1201, 1203, 1208, and 1209 governing e-filing. 73 FR 10127...

  16. Metabolism of halophilic archaea

    PubMed Central

    Falb, Michaela; Müller, Kerstin; Königsmaier, Lisa; Oberwinkler, Tanja; Horn, Patrick; von Gronau, Susanne; Gonzalez, Orland; Pfeiffer, Friedhelm; Bornberg-Bauer, Erich

    2008-01-01

    In spite of their common hypersaline environment, halophilic archaea are surprisingly different in their nutritional demands and metabolic pathways. The metabolic diversity of halophilic archaea was investigated at the genomic level through systematic metabolic reconstruction and comparative analysis of four completely sequenced species: Halobacterium salinarum, Haloarcula marismortui, Haloquadratum walsbyi, and the haloalkaliphile Natronomonas pharaonis. The comparative study reveals different sets of enzyme genes amongst halophilic archaea, e.g. in glycerol degradation, pentose metabolism, and folate synthesis. The carefully assessed metabolic data represent a reliable resource for future system biology approaches as it also links to current experimental data on (halo)archaea from the literature. Electronic supplementary material The online version of this article (doi:10.1007/s00792-008-0138-x) contains supplementary material, which is available to authorized users. PMID:18278431

  17. Single Particle Orientation and Rotational Tracking (SPORT) in biophysical studies

    NASA Astrophysics Data System (ADS)

    Gu, Yan; Ha, Ji Won; Augspurger, Ashley E.; Chen, Kuangcai; Zhu, Shaobin; Fang, Ning

    2013-10-01

    The single particle orientation and rotational tracking (SPORT) techniques have seen rapid development in the past 5 years. Recent technical advances have greatly expanded the applicability of SPORT in biophysical studies. In this feature article, we survey the current development of SPORT and discuss its potential applications in biophysics, including cellular membrane processes and intracellular transport.The single particle orientation and rotational tracking (SPORT) techniques have seen rapid development in the past 5 years. Recent technical advances have greatly expanded the applicability of SPORT in biophysical studies. In this feature article, we survey the current development of SPORT and discuss its potential applications in biophysics, including cellular membrane processes and intracellular transport. Electronic supplementary information (ESI) available: Three supplementary movies and an experimental section. See DOI: 10.1039/c3nr02254d

  18. Mass and charge distributions of amyloid fibers involved in neurodegenerative diseases: mapping heterogeneity and polymorphism† †Electronic supplementary information (ESI) available: Experimental section and supplementary figures. See DOI: 10.1039/c7sc04542e

    PubMed Central

    Pansieri, Jonathan; Halim, Mohammad A.; Vendrely, Charlotte; Dumoulin, Mireille; Legrand, François; Sallanon, Marcelle Moulin; Chierici, Sabine; Denti, Simona; Dagany, Xavier; Dugourd, Philippe; Marquette, Christel

    2018-01-01

    Heterogeneity and polymorphism are generic features of amyloid fibers with some important effects on the related disease development. We report here the characterization, by charge detection mass spectrometry, of amyloid fibers made of three polypeptides involved in neurodegenerative diseases: Aβ1–42 peptide, tau and α-synuclein. Beside the mass of individual fibers, this technique enables to characterize the heterogeneity and the polymorphism of the population. In the case of Aβ1–42 peptide and tau protein, several coexisting species could be distinguished and characterized. In the case of α-synuclein, we show how the polymorphism affects the mass and charge distributions. PMID:29732065

  19. Ketones as directing groups in photocatalytic sp3 C–H fluorination† †Electronic supplementary information (ESI) available. CCDC 1556373, 1556374 and 1556555. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc02703f

    PubMed Central

    Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.

    2017-01-01

    The ubiquitous ketone carbonyl group generally deactivates substrates toward radical-based fluorinations, especially sites closest to it. Herein, ketones are used instead to direct aliphatic fluorination using Selectfluor, catalytic benzil, and visible light. Selective β- and γ-fluorination are demonstrated on rigid mono-, di-, tri-, and tetracyclic (steroidal) substrates employing both cyclic and exocyclic aliphatic ketones as directing groups. PMID:29147517

  20. Controlled formation of closed-edge nanopores in graphene

    NASA Astrophysics Data System (ADS)

    He, Kuang; Robertson, Alex W.; Gong, Chuncheng; Allen, Christopher S.; Xu, Qiang; Zandbergen, Henny; Grossman, Jeffrey C.; Kirkland, Angus I.; Warner, Jamie H.

    2015-07-01

    Dangling bonds at the edge of a nanopore in monolayer graphene make it susceptible to back-filling at low temperatures from atmospheric hydrocarbons, leading to potential instability for nanopore applications, such as DNA sequencing. We show that closed edge nanopores in bilayer graphene are robust to back-filling under atmospheric conditions for days. A controlled method for closed edge nanopore formation starting from monolayer graphene is reported using an in situ heating holder and electron beam irradiation within an aberration-corrected transmission electron microscopy. Tailoring of closed-edge nanopore sizes is demonstrated from 1.4-7.4 nm. These results should provide mechanisms for improving the stability of nanopores in graphene for a wide range of applications involving mass transport.Dangling bonds at the edge of a nanopore in monolayer graphene make it susceptible to back-filling at low temperatures from atmospheric hydrocarbons, leading to potential instability for nanopore applications, such as DNA sequencing. We show that closed edge nanopores in bilayer graphene are robust to back-filling under atmospheric conditions for days. A controlled method for closed edge nanopore formation starting from monolayer graphene is reported using an in situ heating holder and electron beam irradiation within an aberration-corrected transmission electron microscopy. Tailoring of closed-edge nanopore sizes is demonstrated from 1.4-7.4 nm. These results should provide mechanisms for improving the stability of nanopores in graphene for a wide range of applications involving mass transport. Electronic supplementary information (ESI) available: Low magnification images, image processing techniques employed, modelling and simulation of closed edge nanoribbon, comprehensive AC-TEM dataset, and supporting analysis. See DOI: 10.1039/c5nr02277k

  1. PconsD: ultra rapid, accurate model quality assessment for protein structure prediction.

    PubMed

    Skwark, Marcin J; Elofsson, Arne

    2013-07-15

    Clustering methods are often needed for accurately assessing the quality of modeled protein structures. Recent blind evaluation of quality assessment methods in CASP10 showed that there is little difference between many different methods as far as ranking models and selecting best model are concerned. When comparing many models, the computational cost of the model comparison can become significant. Here, we present PconsD, a fast, stream-computing method for distance-driven model quality assessment that runs on consumer hardware. PconsD is at least one order of magnitude faster than other methods of comparable accuracy. The source code for PconsD is freely available at http://d.pcons.net/. Supplementary benchmarking data are also available there. arne@bioinfo.se Supplementary data are available at Bioinformatics online.

  2. Covalent attachment and growth of nanocrystalline films of photocatalytic TiOF2

    NASA Astrophysics Data System (ADS)

    Zhu, Jian; Lv, Fujian; Xiao, Shengxiong; Bian, Zhenfeng; Buntkowsky, Gerd; Nuckolls, Colin; Li, Hexing

    2014-11-01

    This manuscript describes a synthesis of nanocrystalline TiOF2 film. The nanocrystalline TiOF2 becomes chemically attached to the surface of the glass slide. These films are robust and can be recycled as photocatalysts for the degradation of organic dyes and solvents. These films also have significant antibacterial properties upon irradiation.This manuscript describes a synthesis of nanocrystalline TiOF2 film. The nanocrystalline TiOF2 becomes chemically attached to the surface of the glass slide. These films are robust and can be recycled as photocatalysts for the degradation of organic dyes and solvents. These films also have significant antibacterial properties upon irradiation. Electronic supplementary information (ESI) available: Methods for sample preparation, characterization and Fig. S1-S8. See DOI: 10.1039/c4nr05598e

  3. Mild and selective base-free C–H arylation of heteroarenes: experiment and computation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc02595a Click here for additional data file.

    PubMed Central

    Gemoets, Hannes P. L.; Kalvet, Indrek; Nyuchev, Alexander V.; Erdmann, Nico; Hessel, Volker

    2017-01-01

    A mild and selective C–H arylation strategy for indoles, benzofurans and benzothiophenes is described. The arylation method engages aryldiazonium salts as arylating reagents in equimolar amounts. The protocol is operationally simple, base free, moisture tolerant and air tolerant. It utilizes low palladium loadings (0.5 to 2.0 mol% Pd), short reaction times, green solvents (EtOAc/2-MeTHF or MeOH) and is carried out at room temperature, providing a broad substrate scope (47 examples) and excellent selectivity (C-2 arylation for indoles and benzofurans, C-3 arylation for benzothiophenes). Mechanistic experiments and DFT calculations support a Heck–Matsuda type coupling mechanism. PMID:28451243

  4. Contact electrification induced interfacial reactions and direct electrochemical nanoimprint lithography in n-type gallium arsenate wafer† †Electronic supplementary information (ESI) available: Electrochemical measurements of the interfaces, optimization of the contact force and temperature of ECNL, XPS analysis, and more examples of ECNL on n-GaAs. See DOI: 10.1039/c6sc04091h Click here for additional data file.

    PubMed Central

    Zhang, Jie; Zhang, Lin; Wang, Wei; Han, Lianhuan; Jia, Jing-Chun; Tian, Zhao-Wu; Tian, Zhong-Qun

    2017-01-01

    Although metal assisted chemical etching (MacEtch) has emerged as a versatile micro-nanofabrication method for semiconductors, the chemical mechanism remains ambiguous in terms of both thermodynamics and kinetics. Here we demonstrate an innovative phenomenon, i.e., the contact electrification between platinum (Pt) and an n-type gallium arsenide (100) wafer (n-GaAs) can induce interfacial redox reactions. Because of their different work functions, when the Pt electrode comes into contact with n-GaAs, electrons will move from n-GaAs to Pt and form a contact electric field at the Pt/n-GaAs junction until their electron Fermi levels (E F) become equal. In the presence of an electrolyte, the potential of the Pt/electrolyte interface will shift due to the contact electricity and induce the spontaneous reduction of MnO4 – anions on the Pt surface. Because the equilibrium of contact electrification is disturbed, electrons will transfer from n-GaAs to Pt through the tunneling effect. Thus, the accumulated positive holes at the n-GaAs/electrolyte interface make n-GaAs dissolve anodically along the Pt/n-GaAs/electrolyte 3-phase interface. Based on this principle, we developed a direct electrochemical nanoimprint lithography method applicable to crystalline semiconductors. PMID:28451347

  5. Exploration of New Principles in Spintronics Based on Topological Insulators (Option 1)

    DTIC Science & Technology

    2012-05-14

    on the surface and found that our crystals are exceedingly homogeneous (Supplementary Information). The persistently narrow X - ray diffraction peaks...modified Bridgman method (see Supplementary Information for details). X - ray diffraction measurements indicated the monotonic shrinkage of a and c axis...and annealing at that temperature for 4 days. X - ray diffraction analyses confirmed that all the samples have the same crystal structure (R 3m

  6. Changes in biooxidation mechanism and transient biofilm characteristics by As(V) during arsenopyrite colonization with Acidithiobacillus thiooxidans.

    PubMed

    Ramírez-Aldaba, Hugo; Vázquez-Arenas, Jorge; Sosa-Rodríguez, Fabiola S; Valdez-Pérez, Donato; Ruiz-Baca, Estela; Trejo-Córdoba, Gabriel; Escobedo-Bretado, Miguel A; Lartundo-Rojas, Luis; Ponce-Peña, Patricia; Lara, René H

    2018-06-01

    Chemical and surface analyses are carried out using Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM-EDS), atomic force microscopy (AFM), confocal laser scanning microscopy (CLSM), glow discharge spectroscopy (GDS) and extracellular surface protein quantification to thoroughly investigate the effect of supplementary As(V) during biooxidation of arsenopyrite by Acidithiobacillus thiooxidans. It is revealed that arsenic can enhance bacterial reactions during bioleaching, which can strongly influence its mobility. Biofilms occur as compact-flattened microcolonies, being progressively covered by a significant amount of secondary compounds (S n 2- , S 0 , pyrite-like). Biooxidation mechanism is modified in the presence of supplementary As(V), as indicated by spectroscopic and microscopic studies. GDS confirms significant variations between abiotic control and biooxidized arsenopyrite in terms of surface reactivity and amount of secondary compounds with and without As(V) (i.e. 6 μm depth). CLSM and protein analyses indicate a rapid modification in biofilm from hydrophilic to hydrophobic character (i.e. 1-12 h), in spite of the decrease in extracellular surface proteins in the presence of supplementary As(V) (i.e. stressed biofilms).

  7. Facile synthesis of 3D few-layered MoS2 coated TiO2 nanosheet core-shell nanostructures for stable and high-performance lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Chen, Biao; Zhao, Naiqin; Guo, Lichao; He, Fang; Shi, Chunsheng; He, Chunnian; Li, Jiajun; Liu, Enzuo

    2015-07-01

    Uniform transition metal sulfide deposition on a smooth TiO2 surface to form a coating structure is a well-known challenge, caused mainly due to their poor affinities. Herein, we report a facile strategy for fabricating mesoporous 3D few-layered (<4 layers) MoS2 coated TiO2 nanosheet core-shell nanocomposites (denoted as 3D FL-MoS2@TiO2) by a novel two-step method using a smooth TiO2 nanosheet as a template and glucose as a binder. The core-shell structure has been systematically examined and corroborated by transmission electron microscopy, scanning transmission electron microscopy, and X-ray photoelectron spectroscopy analyses. It is found that the resultant 3D FL-MoS2@TiO2 as a lithium-ion battery anode delivers an outstanding high-rate capability with an excellent cycling performance, relating to the unique structure of 3D FL-MoS2@TiO2. The 3D uniform coverage of few-layered (<4 layers) MoS2 onto the TiO2 can remarkably enhance the structure stability and effectively shortens the transfer paths of both lithium ions and electrons, while the strong synergistic effect between MoS2 and TiO2 can significantly facilitate the transport of ions and electrons across the interfaces, especially in the high-rate charge-discharge process. Moreover, the facile fabrication strategy can be easily extended to design other oxide/carbon-sulfide/oxide core-shell materials for extensive applications.Uniform transition metal sulfide deposition on a smooth TiO2 surface to form a coating structure is a well-known challenge, caused mainly due to their poor affinities. Herein, we report a facile strategy for fabricating mesoporous 3D few-layered (<4 layers) MoS2 coated TiO2 nanosheet core-shell nanocomposites (denoted as 3D FL-MoS2@TiO2) by a novel two-step method using a smooth TiO2 nanosheet as a template and glucose as a binder. The core-shell structure has been systematically examined and corroborated by transmission electron microscopy, scanning transmission electron microscopy, and X-ray photoelectron spectroscopy analyses. It is found that the resultant 3D FL-MoS2@TiO2 as a lithium-ion battery anode delivers an outstanding high-rate capability with an excellent cycling performance, relating to the unique structure of 3D FL-MoS2@TiO2. The 3D uniform coverage of few-layered (<4 layers) MoS2 onto the TiO2 can remarkably enhance the structure stability and effectively shortens the transfer paths of both lithium ions and electrons, while the strong synergistic effect between MoS2 and TiO2 can significantly facilitate the transport of ions and electrons across the interfaces, especially in the high-rate charge-discharge process. Moreover, the facile fabrication strategy can be easily extended to design other oxide/carbon-sulfide/oxide core-shell materials for extensive applications. Electronic supplementary information (ESI) available: Supplementary SEM, TEM, XPS and EIS analyses. See DOI: 10.1039/c5nr03334a

  8. Digital Course Materials: A Case Study of the Apple iPad in the Academic Environment

    ERIC Educational Resources Information Center

    Cameron, Andrea H.; Bush, Michael H.

    2011-01-01

    The newness of the iPad device creates a phenomenon unique and unstudied in the academic environment. By merging the innovations of electronic text, e-reader, and multi-modal functionality, the iPad tablet device can act as an e-reader providing digital course materials as well as a range of other supplementary academic applications. This…

  9. 78 FR 58605 - Proposed Collection; Comment Request for Form 8453-EMP, Form 8453-F, Form 8453-FE, Form 8879-F...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-09-24

    ... Declaration and Signature for Electronic and Magnetic Made Filing; Form 8453-FE, U.S. Estate or Trust... information or copies of the form and instructions should be directed to Gerald J. Shields, Internal Revenue....Shields@irs.gov . SUPPLEMENTARY INFORMATION: Title: Employment Tax Declaration for an IRS e-file Return...

  10. Considering a Cadre Augmented Army

    DTIC Science & Technology

    2008-01-01

    S ) 12. DISTRIBUTION /AVAILABILITY STATEMENT Approved for public release; distribution unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT 15. SUBJECT...ACMaxD i ACDep t S AC D i t = = ∑ The force allocation datasheet will include the default initial conditions for the distribution of...This document and trademark( s ) contained herein are protected by law as indicated in a notice appearing later in this work. This electronic

  11. 77 FR 37330 - Reef Fish Fishery of the Gulf of Mexico; 2012 Commercial Accountability Measure and Closure for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-21

    ... effective 12:01 a.m., local time on July 1, 2012, until 12:01 a.m., local time on January 1, 2013. ADDRESSES: Electronic copies of documents supporting the final temporary rule implementing gray triggerfish management... . SUPPLEMENTARY INFORMATION: The reef fish fishery of the Gulf is managed under the Fishery Management Plan for...

  12. Biofield Therapies: Helpful or Full of Hype? A Best Evidence Synthesis

    PubMed Central

    Mills, Paul J.

    2009-01-01

    Background Biofield therapies (such as Reiki, therapeutic touch, and healing touch) are complementary medicine modalities that remain controversial and are utilized by a significant number of patients, with little information regarding their efficacy. Purpose This systematic review examines 66 clinical studies with a variety of biofield therapies in different patient populations. Method We conducted a quality assessment as well as a best evidence synthesis approach to examine evidence for biofield therapies in relevant outcomes for different clinical populations. Results Studies overall are of medium quality, and generally meet minimum standards for validity of inferences. Biofield therapies show strong evidence for reducing pain intensity in pain populations, and moderate evidence for reducing pain intensity hospitalized and cancer populations. There is moderate evidence for decreasing negative behavioral symptoms in dementia and moderate evidence for decreasing anxiety for hospitalized populations. There is equivocal evidence for biofield therapies' effects on fatigue and quality of life for cancer patients, as well as for comprehensive pain outcomes and affect in pain patients, and for decreasing anxiety in cardiovascular patients. Conclusion There is a need for further high-quality studies in this area. Implications and future research directions are discussed. Electronic supplementary material The online version of this article (doi:10.1007/s12529-009-9062-4) contains supplementary material, which is available to authorized users. PMID:19856109

  13. Tunable electron heating induced giant magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system

    DOE PAGES

    Wang, Zhuo; Samaraweera, R. L.; Reichl, C.; ...

    2016-12-07

    Electron-heating induced by a tunable, supplementary dc-current (I dc) helps to vary the observed magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system. The magnetoresistance at B = 0.3 T is shown to progressively change from positive to negative with increasing Idc, yielding negative giant-magnetoresistance at the lowest temperature and highest I dc. A two-term Drude model successfully fits the data at all Idc and T. The results indicate that carrier heating modifies a conductivity correction σ 1, which undergoes sign reversal from positive to negative with increasing I dc, and this is responsible for the observed crossover from positive-more » to negative- magnetoresistance, respectively, at the highest B.« less

  14. Amino acid selective unlabeling for sequence specific resonance assignments in proteins

    PubMed Central

    Krishnarjuna, B.; Jaipuria, Garima; Thakur, Anushikha

    2010-01-01

    Sequence specific resonance assignment constitutes an important step towards high-resolution structure determination of proteins by NMR and is aided by selective identification and assignment of amino acid types. The traditional approach to selective labeling yields only the chemical shifts of the particular amino acid being selected and does not help in establishing a link between adjacent residues along the polypeptide chain, which is important for sequential assignments. An alternative approach is the method of amino acid selective ‘unlabeling’ or reverse labeling, which involves selective unlabeling of specific amino acid types against a uniformly 13C/15N labeled background. Based on this method, we present a novel approach for sequential assignments in proteins. The method involves a new NMR experiment named, {12COi–15Ni+1}-filtered HSQC, which aids in linking the 1HN/15N resonances of the selectively unlabeled residue, i, and its C-terminal neighbor, i + 1, in HN-detected double and triple resonance spectra. This leads to the assignment of a tri-peptide segment from the knowledge of the amino acid types of residues: i − 1, i and i + 1, thereby speeding up the sequential assignment process. The method has the advantage of being relatively inexpensive, applicable to 2H labeled protein and can be coupled with cell-free synthesis and/or automated assignment approaches. A detailed survey involving unlabeling of different amino acid types individually or in pairs reveals that the proposed approach is also robust to misincorporation of 14N at undesired sites. Taken together, this study represents the first application of selective unlabeling for sequence specific resonance assignments and opens up new avenues to using this methodology in protein structural studies. Electronic supplementary material The online version of this article (doi:10.1007/s10858-010-9459-z) contains supplementary material, which is available to authorized users. PMID:21153044

  15. Chemical synthesis of a homoserine-mutant of the antibacterial, head-to-tail cyclized protein AS-48 by α-ketoacid–hydroxylamine (KAHA) ligation† †Electronic supplementary information (ESI) available: Experimental procedures, supplementary results, and spectroscopic data for new compounds. See DOI: 10.1039/c7sc00789b Click here for additional data file.

    PubMed Central

    Rohrbacher, Florian; Zwicky, André

    2017-01-01

    An antibacterial cyclic AS-48 protein was chemically synthesized by α-ketoacid–hydroxylamine (KAHA) ligation. Initial challenges associated with the exceptionally hydrophobic segments arising from the amphiphilic nature of the protein were resolved by the development of bespoke reaction conditions for hydrophobic segments, using hexafluoroisopropanol (HFIP) as a co-solvent. The synthetic protein displays similar biological activity and properties to those of the native protein. To support the current understanding of its antibacterial mode of action, we demonstrate the ability of AS-48 to be incorporated into synthetic multilamellar vesicles (MLVs). PMID:28580120

  16. Supplementary Microstructural Features Induced During Laser Surface Melting of Thermally Sprayed Inconel 625 Coatings

    NASA Astrophysics Data System (ADS)

    Ahmed, Nauman; Voisey, K. T.; McCartney, D. G.

    2014-02-01

    Laser surface melting of thermally sprayed coatings has the potential to enhance their corrosion properties by incorporating favorable microstructural changes. Besides homogenizing the as-sprayed structure, laser melting may induce certain microstructural modifications (i.e., supplementary features) in addition to those that directly improve the corrosion performance. Such features, being a direct result of the laser treatment process, are described in this paper which is part of a broader study in which high velocity oxy-fuel sprayed Inconel 625 coatings on mild-steel substrates were treated with a diode laser and the modified microstructure characterized using optical and scanning electron microscopy and x-ray diffraction. The laser treated coating features several different zones, including a region with a microstructure in which there is a continuous columnar dendritic structure through a network of retained oxide stringers.

  17. Dual nickel and Lewis acid catalysis for cross-electrophile coupling: the allylation of aryl halides with allylic alcohols† †Electronic supplementary information (ESI) available. CCDC 1515176. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03140h

    PubMed Central

    Jia, Xue-Gong; Guo, Peng; Duan, Jicheng

    2017-01-01

    Controlling the selectivity in cross-electrophile coupling reactions is a significant challenge, particularly when one electrophile is much more reactive. We report a general and practical strategy to address this problem in the reaction between reactive and unreactive electrophiles by a combination of nickel and Lewis acid catalysis. This strategy is used for the coupling of aryl halides with allylic alcohols to form linear allylarenes selectively. The reaction tolerates a wide range of functional groups (e.g. silanes, boronates, anilines, esters, alcohols, and various heterocycles) and works with various allylic alcohols. Complementary to most current routes for the C3 allylation of an unprotected indole, this method provides access to C2 and C4–C7 allylated indoles. Preliminary mechanistic experiments reveal that the reaction might start with an aryl nickel intermediate, which then reacts with Lewis acid activated allylic alcohols in the presence of Mn. PMID:29629130

  18. A low-crystalline ruthenium nano-layer supported on praseodymium oxide as an active catalyst for ammonia synthesis† †Electronic supplementary information (ESI) available: Detailed procedures for each method, catalytic performance, STEM-EDX images, detailed characterization. See DOI: 10.1039/c6sc02382g Click here for additional data file.

    PubMed Central

    Imamura, Kazuya; Kawano, Yukiko; Miyahara, Shin-ichiro; Yamamoto, Tomokazu; Matsumura, Syo

    2017-01-01

    Ammonia is a crucial chemical feedstock for fertilizer production and is a potential energy carrier. However, the current method of synthesizing ammonia, the Haber–Bosch process, consumes a great deal of energy. To reduce energy consumption, a process and a substance that can catalyze ammonia synthesis under mild conditions (low temperature and low pressure) are strongly needed. Here we show that Ru/Pr2O3 without any dopant catalyzes ammonia synthesis under mild conditions at 1.8 times the rates reported with other highly active catalysts. Scanning transmission electron micrograph observations and energy dispersive X-ray analyses revealed the formation of low-crystalline nano-layers of ruthenium on the surface of Pr2O3. Furthermore, CO2 temperature-programmed desorption revealed that the catalyst was strongly basic. These unique structural and electronic characteristics are considered to synergistically accelerate the rate-determining step of NH3 synthesis, cleavage of the N 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 N bond. We expect that the use of this catalyst will be a starting point for achieving efficient ammonia synthesis. PMID:28451216

  19. Direct and indirect hyperpolarisation of amines using parahydrogen† †Electronic supplementary information (ESI) available: Full experimental procedures, characterisation data and example spectra. See DOI: 10.1039/c8sc00526e

    PubMed Central

    Iali, Wissam; Rayner, Peter J.; Alshehri, Adel; Holmes, A. Jonathan.; Ruddlesden, Amy J.

    2018-01-01

    Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) are two widely used techniques for the study of molecules and materials. Hyperpolarisation methods, such as Signal Amplification By Reversible Exchange (SABRE), turn typically weak magnetic resonance responses into strong signals. In this article we detail how it is possible to hyperpolarise the 1H, 13C and 15N nuclei of a range of amines. This involved showing how primary amines form stable but labile complexes of the type [Ir(H)2(IMes)(amine)3]Cl that allow parahydrogen to relay its latent polarisation into the amine. By optimising the temperature and parahydrogen pressure a 1000-fold per proton NH signal gain for deuterated benzylamine is achieved at 9.4 T. Additionally, we show that sterically hindered and electron poor amines that bind poorly to iridium can be hyperpolarised by either employing a co-ligand for complex stabilisation, or harnessing the fact that it is possible to exchange hyperpolarised protons between amines in a mixture, through the recently reported SABRE-RELAY method. These chemical refinements have significant potential to extend the classes of agent that can be hyperpolarised by readily accessible parahydrogen. PMID:29780498

  20. Multivariate two-part statistics for analysis of correlated mass spectrometry data from multiple biological specimens.

    PubMed

    Taylor, Sandra L; Ruhaak, L Renee; Weiss, Robert H; Kelly, Karen; Kim, Kyoungmi

    2017-01-01

    High through-put mass spectrometry (MS) is now being used to profile small molecular compounds across multiple biological sample types from the same subjects with the goal of leveraging information across biospecimens. Multivariate statistical methods that combine information from all biospecimens could be more powerful than the usual univariate analyses. However, missing values are common in MS data and imputation can impact between-biospecimen correlation and multivariate analysis results. We propose two multivariate two-part statistics that accommodate missing values and combine data from all biospecimens to identify differentially regulated compounds. Statistical significance is determined using a multivariate permutation null distribution. Relative to univariate tests, the multivariate procedures detected more significant compounds in three biological datasets. In a simulation study, we showed that multi-biospecimen testing procedures were more powerful than single-biospecimen methods when compounds are differentially regulated in multiple biospecimens but univariate methods can be more powerful if compounds are differentially regulated in only one biospecimen. We provide R functions to implement and illustrate our method as supplementary information CONTACT: sltaylor@ucdavis.eduSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  1. Regio- and stereoselective synthesis of benzothiazolo-pyrimidinones via an NHC-catalyzed Mannich/lactamization domino reaction† †Electronic supplementary information (ESI) available. CCDC 1029497. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4cc08594a

    PubMed Central

    Ni, Qijian; Song, Xiaoxiao; Xiong, Jiawen; Raabe, Gerhard

    2015-01-01

    An NHC-catalyzed regio- and stereoselective Mannich/lactamization domino reaction of N-(benzothiazolyl)imines with α-chloroaldehydes has been developed. This new protocol provides a facile approach for the asymmetric synthesis of benzothiazolo-pyrimidinones and a pyrrolo[1,2-a]indolone in moderate to good yields (34–78%) and excellent stereoselectivities (87–99% ee, up to >20 : 1 d.r.). PMID:25476422

  2. Synthesis of porous NiO/CeO2 hybrid nanoflake arrays as a platform for electrochemical biosensing

    NASA Astrophysics Data System (ADS)

    Cui, Jiewu; Luo, Jinbao; Peng, Bangguo; Zhang, Xinyi; Zhang, Yong; Wang, Yan; Qin, Yongqiang; Zheng, Hongmei; Shu, Xia; Wu, Yucheng

    2015-12-01

    Porous NiO/CeO2 hybrid nanoflake arrays fabricated by a facile hydrothermal method were employed as substrates for electrochemical biosensors. The resulting NiO/CeO2 hybrid nanoflake arrays with a large specific surface area and good biocompatibility presented an excellent platform for electrochemical biosensing.Porous NiO/CeO2 hybrid nanoflake arrays fabricated by a facile hydrothermal method were employed as substrates for electrochemical biosensors. The resulting NiO/CeO2 hybrid nanoflake arrays with a large specific surface area and good biocompatibility presented an excellent platform for electrochemical biosensing. Electronic supplementary information (ESI) available: Optical photographs of the as-prepared samples, SEM, TEM, EDS, XRD and BET data of the samples are presented, I-t curves of glucose biosensors based on NiO and NiO/CeO2 NFAs, EIS results of different electrodes. See DOI: 10.1039/c5nr05924k

  3. Quantitative assessment of alkali-reactive aggregate mineral content through XRD using polished sections as a supplementary tool to RILEM AAR-1 (petrographic method)

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

    Castro, Nelia, E-mail: nelia.castro@ntnu.no; Sorensen, Bjorn E.; Broekmans, Maarten A.T.M.

    The mineral content of 5 aggregate samples from 4 different countries, including reactive and non-reactive aggregate types, was assessed quantitatively by X-ray diffraction (XRD) using polished sections. Additionally, electron probe microanalyzer (EPMA) mapping and cathodoluminescence (CL) were used to characterize the opal-CT identified in one of the aggregate samples. Critical review of results from polished sections against traditionally powdered specimen has demonstrated that for fine-grained rocks without preferred orientation the assessment of mineral content by XRD using polished sections may represent an advantage over traditional powder specimens. Comparison of data on mineral content and silica speciation with expansion data frommore » PARTNER project confirmed that the presence of opal-CT plays an important role in the reactivity of one of the studied aggregates. Used as a complementary tool to RILEM AAR-1, the methodology suggested in this paper has the potential to improve the strength of the petrographic method.« less

  4. Novel and simple route to fabricate fully biocompatible plasmonic mushroom arrays adhered on silk biopolymer

    NASA Astrophysics Data System (ADS)

    Park, Joonhan; Choi, Yunkyoung; Lee, Myungjae; Jeon, Heonsu; Kim, Sunghwan

    2014-12-01

    A fully biocompatible plasmonic quasi-3D nanostructure is demonstrated by a simple and reliable fabrication method using strong adhesion between gold and silk fibroin. The quasi-3D nature gives rise to complex photonic responses in reflectance that are prospectively useful in bio/chemical sensing applications. Laser interference lithography is utilized to fabricate large-area plasmonic nanostructures.A fully biocompatible plasmonic quasi-3D nanostructure is demonstrated by a simple and reliable fabrication method using strong adhesion between gold and silk fibroin. The quasi-3D nature gives rise to complex photonic responses in reflectance that are prospectively useful in bio/chemical sensing applications. Laser interference lithography is utilized to fabricate large-area plasmonic nanostructures. Electronic supplementary information (ESI) available: The incident angle dependence of reflectance spectra and the atomic force microscopy image of the Au nanoparticle array on a silk film after 1 hour of ultrasonication. See DOI: 10.1039/c4nr05172f

  5. Multi-dimensional construction of a novel active yolk@conductive shell nanofiber web as a self-standing anode for high-performance lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Liu, Hao; Chen, Luyi; Liang, Yeru; Fu, Ruowen; Wu, Dingcai

    2015-11-01

    A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode.A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode. Electronic supplementary information (ESI) available: Experimental details and additional information about material characterization. See DOI: 10.1039/c5nr06531c

  6. Preparation of a porous Sn@C nanocomposite as a high-performance anode material for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Zhang, Yanjun; Jiang, Li; Wang, Chunru

    2015-07-01

    A porous Sn@C nanocomposite was prepared via a facile hydrothermal method combined with a simple post-calcination process, using stannous octoate as the Sn source and glucose as the C source. The as-prepared Sn@C nanocomposite exhibited excellent electrochemical behavior with a high reversible capacity, long cycle life and good rate capability when used as an anode material for lithium ion batteries.A porous Sn@C nanocomposite was prepared via a facile hydrothermal method combined with a simple post-calcination process, using stannous octoate as the Sn source and glucose as the C source. The as-prepared Sn@C nanocomposite exhibited excellent electrochemical behavior with a high reversible capacity, long cycle life and good rate capability when used as an anode material for lithium ion batteries. Electronic supplementary information (ESI) available: Detailed experimental procedure and additional characterization, including a Raman spectrum, TGA curve, N2 adsorption-desorption isotherm, TEM images and SEM images. See DOI: 10.1039/c5nr03093e

  7. Facile electrodeposition of reduced graphene oxide hydrogels for high-performance supercapacitors

    NASA Astrophysics Data System (ADS)

    Pham, Viet Hung; Gebre, Tesfaye; Dickerson, James H.

    2015-03-01

    We report both a facile, scalable method to prepare reduced graphene oxide hydrogels through the electrodeposition of graphene oxide and its use as an electrode for high-performance supercapacitors. Such systems exhibited specific capacitances of 147 and 223 F g-1 at a current density of 10 A g-1 when using H2SO4 and H2SO4 + hydroquinone redox electrolytes, respectively.We report both a facile, scalable method to prepare reduced graphene oxide hydrogels through the electrodeposition of graphene oxide and its use as an electrode for high-performance supercapacitors. Such systems exhibited specific capacitances of 147 and 223 F g-1 at a current density of 10 A g-1 when using H2SO4 and H2SO4 + hydroquinone redox electrolytes, respectively. Electronic supplementary information (ESI) available: GO synthesis, characterization, fabrication of ERGO supercapacitor and electrochemical measurement, elemental composition, TGA and XRD of GO and ERGO. See DOI: 10.1039/c4nr07508k

  8. Space Charge Free Photodiodes

    DTIC Science & Technology

    2012-02-03

    materials such as strained layer superlattice and HgCdTe . ___ ;,·~--·- 15. SUBJECT TERMS infrared , IR, detector , unipolar barrier, nBn 16. SECURITY...current and noise in infrared detectors . Unipolar barriers can be made in either of two types: hole-blocking or electron-blocking barriers. Our work has...SUPPLEMENTARY NOTES ---- - - .. 14. ABSTRACT A new type of infrared detector is designed and experimentally demonstrated, which uses "unipolar barriers

  9. Dynamic Adaptive Binning: An Improved Quantification Technique for NMR Spectroscopic Data

    DTIC Science & Technology

    2010-01-01

    Reo 2002). Unlike proteomics and genomics that assess inter- mediate products, metabolomics assesses the end product of cellular function, metabolites...other proteomic , genomic , and metabolomic analyses, NMR spectroscopy is Electronic supplementary material The online version of this article (doi...Changes occurring at the level of genes and proteins (assessed by genomics and proteomics ) may or may not influence a variety of cellular functions

  10. Understanding the Effect of Ni on Mechanical and Wear Properties of Low-Carbon Steel from a View-Point of Electron Work Function

    NASA Astrophysics Data System (ADS)

    Lu, Hao; Huang, Xiaochen; Hou, Runfang; Li, D. Y.

    2018-07-01

    Electron work function (EWF) is correlated to intrinsic properties of metallic materials and can be an alternative parameter to obtain supplementary clues for guiding material design and modification. A higher EWF corresponds to a more stable electronic state, leading to higher resistance to any attempt to change the material structure and properties. In this study, effects of Ni as a solute with a higher EWF on mechanical, electrochemical, and tribological properties of low-carbon steel were investigated. Added Ni, which has more valence electrons, enhanced the electrons-nuclei interaction in the steel, corresponding to higher EWF. As a result, the Ni-added steel showed increased mechanical strength and corrosion resistance, resulting in higher resistances to wear and corrosive wear. Mechanism for the improvements is elucidated through analyzing EWF-related variations in Young's modulus, hardness, corrosion potential, and tribological behavior.

  11. Low-energy collisions between electrons and BeD+

    NASA Astrophysics Data System (ADS)

    Niyonzima, S.; Pop, N.; Iacob, F.; Larson, Å; Orel, A. E.; Mezei, J. Zs; Chakrabarti, K.; Laporta, V.; Hassouni, K.; Benredjem, D.; Bultel, A.; Tennyson, J.; Reiter, D.; Schneider, I. F.

    2018-02-01

    Multichannel quantum defect theory is applied in the treatment of the dissociative recombination and vibrational excitation processes for the BeD+ ion in the 24 vibrational levels of its ground electronic state ({{X}}{}1{{{Σ }}}+,{v}{{i}}+=0\\ldots 23). Three electronic symmetries of BeD** states ({}2{{\\Pi }}, {}2{{{Σ }}}+, and {}2{{Δ }}) are considered in the calculation of cross sections and the corresponding rate coefficients. The incident electron energy range is 10-5-2.7 eV and the electron temperature range is 100-5000 K. The vibrational dependence of these collisional processes is highlighted. The resulting data are useful in magnetic confinement fusion edge plasma modeling and spectroscopy, in devices with beryllium based main chamber materials, such as ITER and JET, and operating with the deuterium-tritium fuel mix. An extensive rate coefficients database is presented in graphical form and also by analytic fit functions whose parameters are tabulated in the supplementary material.

  12. Understanding the Effect of Ni on Mechanical and Wear Properties of Low-Carbon Steel from a View-Point of Electron Work Function

    NASA Astrophysics Data System (ADS)

    Lu, Hao; Huang, Xiaochen; Hou, Runfang; Li, D. Y.

    2018-04-01

    Electron work function (EWF) is correlated to intrinsic properties of metallic materials and can be an alternative parameter to obtain supplementary clues for guiding material design and modification. A higher EWF corresponds to a more stable electronic state, leading to higher resistance to any attempt to change the material structure and properties. In this study, effects of Ni as a solute with a higher EWF on mechanical, electrochemical, and tribological properties of low-carbon steel were investigated. Added Ni, which has more valence electrons, enhanced the electrons-nuclei interaction in the steel, corresponding to higher EWF. As a result, the Ni-added steel showed increased mechanical strength and corrosion resistance, resulting in higher resistances to wear and corrosive wear. Mechanism for the improvements is elucidated through analyzing EWF-related variations in Young's modulus, hardness, corrosion potential, and tribological behavior.

  13. Electron work function-a promising guiding parameter for material design.

    PubMed

    Lu, Hao; Liu, Ziran; Yan, Xianguo; Li, Dongyang; Parent, Leo; Tian, Harry

    2016-04-14

    Using nickel added X70 steel as a sample material, we demonstrate that electron work function (EWF), which largely reflects the electron behavior of materials, could be used as a guide parameter for material modification or design. Adding Ni having a higher electron work function to X70 steel brings more "free" electrons to the steel, leading to increased overall work function, accompanied with enhanced e(-)-nuclei interactions or higher atomic bond strength. Young's modulus and hardness increase correspondingly. However, the free electron density and work function decrease as the Ni content is continuously increased, accompanied with the formation of a second phase, FeNi3, which is softer with a lower work function. The decrease in the overall work function corresponds to deterioration of the mechanical strength of the steel. It is expected that EWF, a simple but fundamental parameter, may lead to new methodologies or supplementary approaches for metallic materials design or tailoring on a feasible electronic base.

  14. Electron work function–a promising guiding parameter for material design

    PubMed Central

    Lu, Hao; Liu, Ziran; Yan, Xianguo; Li, Dongyang; Parent, Leo; Tian, Harry

    2016-01-01

    Using nickel added X70 steel as a sample material, we demonstrate that electron work function (EWF), which largely reflects the electron behavior of materials, could be used as a guide parameter for material modification or design. Adding Ni having a higher electron work function to X70 steel brings more “free” electrons to the steel, leading to increased overall work function, accompanied with enhanced e−–nuclei interactions or higher atomic bond strength. Young’s modulus and hardness increase correspondingly. However, the free electron density and work function decrease as the Ni content is continuously increased, accompanied with the formation of a second phase, FeNi3, which is softer with a lower work function. The decrease in the overall work function corresponds to deterioration of the mechanical strength of the steel. It is expected that EWF, a simple but fundamental parameter, may lead to new methodologies or supplementary approaches for metallic materials design or tailoring on a feasible electronic base. PMID:27074974

  15. Exploring the full catalytic cycle of rhodium(i)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc00401j Click here for additional data file.

    PubMed Central

    Yoshimura, Takayoshi; Taketsugu, Tetsuya; Sawamura, Masaya

    2017-01-01

    We explored the reaction mechanism of the cationic rhodium(i)–BINAP complex catalysed isomerisation of allylic amines using the artificial force induced reaction method with the global reaction route mapping strategy, which enabled us to search for various reaction paths without assumption of transition states. The entire reaction network was reproduced in the form of a graph, and reasonable paths were selected from the complicated network using Prim’s algorithm. As a result, a new dissociative reaction mechanism was proposed. Our comprehensive reaction path search provided rationales for the E/Z and S/R selectivities of the stereoselective reaction. PMID:28970877

  16. Exceptional CO2 working capacity in a heterodiamine-grafted metal–organic framework† †Electronic supplementary information (ESI) available: Additional structural, sorption, TGA, and in situ IR data. See DOI: 10.1039/c5sc01191d

    PubMed Central

    Lee, Woo Ram; Jo, Hyuna; Yang, Li-Ming; Lee, Hanyeong; Ryu, Dae Won; Lim, Kwang Soo; Song, Jeong Hwa; Min, Da Young; Han, Sang Soo; Seo, Jeong Gil; Park, Yong Ki; Moon, Dohyun

    2015-01-01

    An amine-functionalized metal–organic framework (MOF), dmen-Mg2(dobpdc) (dmen = N,N-dimethylethylenediamine), which contains a heterodiamine with both primary and tertiary amines, was prepared via a post-synthetic method. This material exhibits a significant selectivity factor for CO2 over N2 that is commensurate with top-performing MOFs. It is remarkable that the solid is fully regenerated under vacuum or flowing Ar at low desorption temperatures, and following this can take up CO2 at more than 13 wt%. An exceptionally high working capacity is achieved at low regeneration temperatures and after exposure to humid conditions, which are important parameters for a real post-combustion CO2 capture process. PMID:28706716

  17. Use of the PIXEL method to investigate gas adsorption in metal–organic frameworks† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ce00555a Click here for additional data file. Click here for additional data file. Click here for additional data file.

    PubMed Central

    Maloney, Andrew G. P.; Wood, Peter A.

    2016-01-01

    PIXEL has been used to perform calculations of adsorbate-adsorbent interaction energies between a range of metal–organic frameworks (MOFs) and simple guest molecules. Interactions have been calculated for adsorption between MOF-5 and Ar, H2, and N2; Zn2(BDC)2(TED) (BDC = 1,4-benzenedicarboxylic acid, TED = triethylenediamine) and H2; and HKUST-1 and CO2. The locations of the adsorption sites and the calculated energies, which show differences in the Coulombic or dispersion characteristic of the interaction, compare favourably to experimental data and literature energy values calculated using density functional theory. PMID:28496380

  18. EMHP: an accurate automated hole masking algorithm for single-particle cryo-EM image processing.

    PubMed

    Berndsen, Zachary; Bowman, Charles; Jang, Haerin; Ward, Andrew B

    2017-12-01

    The Electron Microscopy Hole Punch (EMHP) is a streamlined suite of tools for quick assessment, sorting and hole masking of electron micrographs. With recent advances in single-particle electron cryo-microscopy (cryo-EM) data processing allowing for the rapid determination of protein structures using a smaller computational footprint, we saw the need for a fast and simple tool for data pre-processing that could run independent of existing high-performance computing (HPC) infrastructures. EMHP provides a data preprocessing platform in a small package that requires minimal python dependencies to function. https://www.bitbucket.org/chazbot/emhp Apache 2.0 License. bowman@scripps.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

  19. Facile fabrication of mesoporous silica micro-jets with multi-functionalities† †Electronic supplementary information (ESI) available: Detailed BET experiments, videos and supplementary data. See DOI: 10.1039/c7nr04527a

    PubMed Central

    Vilela, D.; Hortelao, A. C.; Balderas-Xicohténcatl, R.; Hirscher, M.; Hahn, K.

    2017-01-01

    Self-propelled micro/nano-devices have been proved as powerful tools in various applications given their capability of both autonomous motion and on-demand task fulfilment. Tubular micro-jets stand out as an important member in the family of self-propelled micro/nano-devices and are widely explored with respect to their fabrication and functionalization. A few methods are currently available for the fabrication of tubular micro-jets, nevertheless there is still a demand to explore the fabrication of tubular micro-jets made of versatile materials and with the capability of multi-functionalization. Here, we present a facile strategy for the fabrication of mesoporous silica micro-jets (MSMJs) for tubular micromotors which can carry out multiple tasks depending on their functionalities. The synthesis of MSMJs does not require the use of any equipment, making it facile and cost-effective for future practical use. The MSMJs can be modified inside, outside or both with different kinds of metal nanoparticles, which provide these micromotors with a possibility of additional properties, such as the anti-bacterial effect by silver nanoparticles, or biochemical sensing based on surface enhanced Raman scattering (SERS) by gold nanoparticles. Because of the high porosity, high surface area and also the easy surface chemistry process, the MSMJs can be employed for the efficient removal of heavy metals in contaminated water, as well as for the controlled and active drug delivery, as two proof-of-concept examples of environmental and biomedical applications, respectively. Therefore, taking into account the new, simple and cheap method of fabrication, highly porous structure, and multiple functionalities, the mesoporous silica based micro-jets can serve as efficient tools for desired applications. PMID:28891580

  20. Development of an online p38α mitogen-activated protein kinase binding assay and integration of LC–HR-MS

    PubMed Central

    Falck, David; de Vlieger, Jon S. B.; Niessen, Wilfried M. A.; Kool, Jeroen; Honing, Maarten; Irth, Hubertus

    2010-01-01

    A high-resolution screening method was developed for the p38α mitogen-activated protein kinase to detect and identify small-molecule binders. Its central role in inflammatory diseases makes this enzyme a very important drug target. The setup integrates separation by high-performance liquid chromatography with two parallel detection techniques. High-resolution mass spectrometry gives structural information to identify small molecules while an online enzyme binding detection method provides data on p38α binding. The separation step allows the individual assessment of compounds in a mixture and links affinity and structure information via the retention time. Enzyme binding detection was achieved with a competitive binding assay based on fluorescence enhancement which has a simple principle, is inexpensive, and is easy to interpret. The concentrations of p38α and the fluorescence tracer SK&F86002 were optimized as well as incubation temperature, formic acid content of the LC eluents, and the material of the incubation tubing. The latter notably improved the screening of highly lipophilic compounds. For optimization and validation purposes, the known kinase inhibitors BIRB796, TAK715, and MAPKI1 were used among others. The result is a high-quality assay with Z′ factors around 0.8, which is suitable for semi-quantitative affinity measurements and applicable to various binding modes. Furthermore, the integrated approach gives affinity data on individual compounds instead of averaged ones for mixtures. Figure P38 α online screening platform Electronic supplementary material The online version of this article (doi:10.1007/s00216-010-4087-8) contains supplementary material, which is available to authorized users. PMID:20730527

  1. A symmetrical method to obtain shear moduli from microrheology† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sm02499a

    PubMed Central

    Nishi, Kengo

    2018-01-01

    Passive microrheology typically deduces shear elastic loss and storage moduli from displacement time series or mean-squared displacements (MSD) of thermally fluctuating probe particles in equilibrium materials. Common data analysis methods use either Kramers–Kronig (KK) transformation or functional fitting to calculate frequency-dependent loss and storage moduli. We propose a new analysis method for passive microrheology that avoids the limitations of both of these approaches. In this method, we determine both real and imaginary components of the complex, frequency-dependent response function χ(ω) = χ′(ω) + iχ′′(ω) as direct integral transforms of the MSD of thermal particle motion. This procedure significantly improves the high-frequency fidelity of χ(ω) relative to the use of KK transformation, which has been shown to lead to artifacts in χ′(ω). We test our method on both model and experimental data. Experiments were performed on solutions of worm-like micelles and dilute collagen solutions. While the present method agrees well with established KK-based methods at low frequencies, we demonstrate significant improvement at high frequencies using our symmetric analysis method, up to almost the fundamental Nyquist limit. PMID:29611576

  2. Nano-aggregates of cobalt nickel oxysulfide as a high-performance electrode material for supercapacitors

    NASA Astrophysics Data System (ADS)

    Liu, Lifeng

    2013-11-01

    Nano-aggregates of cobalt nickel oxysulfide (CoNi)OxSy have been synthesized by hydrothermal processing and exhibited specific and areal capacitance as high as 592 F g-1 and 1628 mF cm-2, respectively, at a current density of 0.5 A g-1/1.375 mA cm-2. They also show high capacitance retention upon extended cycling at high rates.Nano-aggregates of cobalt nickel oxysulfide (CoNi)OxSy have been synthesized by hydrothermal processing and exhibited specific and areal capacitance as high as 592 F g-1 and 1628 mF cm-2, respectively, at a current density of 0.5 A g-1/1.375 mA cm-2. They also show high capacitance retention upon extended cycling at high rates. Electronic supplementary information (ESI) available: Experimental details; supplementary tables. See DOI: 10.1039/c3nr03533f

  3. Modeling the Adaptive Role of Negative Signaling in Honey Bee Intraspecific Competition.

    PubMed

    Johnson, Brian R; Nieh, James C

    2010-11-01

    Collective decision making in the social insects often proceeds via feedback cycles based on positive signaling. Negative signals have, however, been found in a few contexts in which costs exist for paying attention to no longer useful information. Here we incorporate new research on the specificity and context of the negative stop signal into an agent based model of honey bee foraging to explore the adaptive basis of negative signaling in the dance language. Our work suggests that the stop signal, by acting as a counterbalance to the waggle dance, allows colonies to rapidly shut down attacks on other colonies. This could be a key adaptation, as the costs of attacking a colony strong enough to defend itself are significant. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s10905-010-9229-5) contains supplementary material, which is available to authorized users.

  4. Happiness and Satisfaction with Work Commute.

    PubMed

    Olsson, Lars E; Gärling, Tommy; Ettema, Dick; Friman, Margareta; Fujii, Satoshi

    2013-03-01

    Research suggests that for many people happiness is being able to make the routines of everyday life work, such that positive feelings dominate over negative feelings resulting from daily hassles. In line with this, a survey of work commuters in the three largest urban areas of Sweden show that satisfaction with the work commute contributes to overall happiness. It is also found that feelings during the commutes are predominantly positive or neutral. Possible explanatory factors include desirable physical exercise from walking and biking, as well as that short commutes provide a buffer between the work and private spheres. For longer work commutes, social and entertainment activities either increase positive affects or counteract stress and boredom. Satisfaction with being employed in a recession may also spill over to positive experiences of work commutes. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s11205-012-0003-2) contains supplementary material, which is available to authorized users.

  5. Hypolithic Microbial Community of Quartz Pavement in the High-Altitude Tundra of Central Tibet

    PubMed Central

    Wong, Fiona K. Y.; Lacap, Donnabella C.; Lau, Maggie C. Y.; Aitchison, J. C.; Cowan, Donald A.

    2010-01-01

    The hypolithic microbial community associated with quartz pavement at a high-altitude tundra location in central Tibet is described. A small-scale ecological survey indicated that 36% of quartz rocks were colonized. Community profiling using terminal restriction fragment length polymorphism revealed no significant difference in community structure among a number of colonized rocks. Real-time quantitative PCR and phylogenetic analysis of environmental phylotypes obtained from clone libraries were used to elucidate community structure across all domains. The hypolithon was dominated by cyanobacterial phylotypes (73%) with relatively low frequencies of other bacterial phylotypes, largely represented by the chloroflexi, actinobacteria, and bacteriodetes. Unidentified crenarchaeal phylotypes accounted for 4% of recoverable phylotypes, while algae, fungi, and mosses were indicated by a small fraction of recoverable phylotypes. Electronic supplementary material The online version of this article (doi:10.1007/s00248-010-9653-2) contains supplementary material, which is available to authorized users. PMID:20336290

  6. Molecular dynamics and charge transport in organic semiconductors: a classical approach to modeling electron transfer† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc04547b Click here for additional data file.

    PubMed Central

    Vázquez-Mayagoitia, Álvaro; Ratcliff, Laura E.; Tretiak, Sergei; Bair, Raymond A.; Gray, Stephen K.; Van Voorhis, Troy; Larsen, Ross E.; Darling, Seth B.

    2017-01-01

    Organic photovoltaics (OPVs) are a promising carbon-neutral energy conversion technology, with recent improvements pushing power conversion efficiencies over 10%. A major factor limiting OPV performance is inefficiency of charge transport in organic semiconducting materials (OSCs). Due to strong coupling with lattice degrees of freedom, the charges form polarons, localized quasi-particles comprised of charges dressed with phonons. These polarons can be conceptualized as pseudo-atoms with a greater effective mass than a bare charge. We propose that due to this increased mass, polarons can be modeled with Langevin molecular dynamics (LMD), a classical approach with a computational cost much lower than most quantum mechanical methods. Here we present LMD simulations of charge transfer between a pair of fullerene molecules, which commonly serve as electron acceptors in OSCs. We find transfer rates consistent with experimental measurements of charge mobility, suggesting that this method may provide quantitative predictions of efficiency when used to simulate materials on the device scale. Our approach also offers information that is not captured in the overall transfer rate or mobility: in the simulation data, we observe exactly when and why intermolecular transfer events occur. In addition, we demonstrate that these simulations can shed light on the properties of polarons in OSCs. Much remains to be learned about these quasi-particles, and there are no widely accepted methods for calculating properties such as effective mass and friction. Our model offers a promising approach to exploring mass and friction as well as providing insight into the details of polaron transport in OSCs. PMID:28553494

  7. Supplementary searches of PubMed to improve currency of MEDLINE and MEDLINE In-Process searches via Ovid

    PubMed Central

    Duffy, Steven; de Kock, Shelley; Misso, Kate; Noake, Caro; Ross, Janine; Stirk, Lisa

    2016-01-01

    Objective The research investigated whether conducting a supplementary search of PubMed in addition to the main MEDLINE (Ovid) search for a systematic review is worthwhile and to ascertain whether this PubMed search can be conducted quickly and if it retrieves unique, recently published, and ahead-of-print studies that are subsequently considered for inclusion in the final systematic review. Methods Searches of PubMed were conducted after MEDLINE (Ovid) and MEDLINE In-Process (Ovid) searches had been completed for seven recent reviews. The searches were limited to records not in MEDLINE or MEDLINE In-Process (Ovid). Results Additional unique records were identified for all of the investigated reviews. Search strategies were adapted quickly to run in PubMed, and reviewer screening of the results was not time consuming. For each of the investigated reviews, studies were ordered for full screening; in six cases, studies retrieved from the supplementary PubMed searches were included in the final systematic review. Conclusion Supplementary searching of PubMed for studies unavailable elsewhere is worthwhile and improves the currency of the systematic reviews. PMID:27822154

  8. Imprinting of metal receptors into multilayer polyelectrolyte films: fabrication and applications in marine antifouling† †Electronic supplementary information (ESI) available: FTIR, NMR spectra of synthesized polymers, XPS spectra and AFM images of non-cross linked and cross linked LBLA and LBLB films, UV-Visible absorption spectra of copper complexation with PAH-His, QCM data of LBLA and LBLB films and stability of the films are provided in the electronic supplementary information. See DOI: 10.1039/c4sc02367f Click here for additional data file.

    PubMed Central

    Puniredd, Sreenivasa Reddy; Go, Dewi Pitrasari; Zhu, Xiaoying; Guo, Shifeng; Ming Teo, Serena Lay; Chen Lee, Serina Siew

    2015-01-01

    Polymeric films constructed using the layer-by-layer (LbL) fabrication process were employed as a platform for metal ion immobilization and applied as a marine antifouling coating. The novel Cu2+ ion imprinting process described is based on the use of metal ion templates and LbL multilayer covalent cross-linking. Custom synthesized, peptide mimicking polycations composed of histidine grafted poly(allylamine) (PAH) to bind metal ions, and methyl ester containing polyanions for convenient cross-linking were used in the fabrication process. Two methods of LbL film formation have been investigated using alternate polyelectrolyte deposition namely non-imprinted LbLA, and imprinted LbLB. Both LbL films were cross linked at mild temperature to yield covalent bridging of the layers for improved stability in a sea water environment. A comparative study of the non-imprinted LbLA films and imprinted LbLB films for Cu2+ ion binding capacity, leaching rate and stability of the films was performed. The results reveal that the imprinted films possess enhanced affinity to retain metal ions due to the preorganization of imidazole bearing histidine receptors. As a result the binding capacity of the films for Cu2+ could be improved by seven fold. Antifouling properties of the resulting materials in a marine environment have been demonstrated against the settlement of barnacle larvae, indicating that controlled release of Cu ions was achieved. PMID:28966763

  9. Final report of the SIM.QM-S8 supplementary comparison, trace metals in drinking water

    NASA Astrophysics Data System (ADS)

    Yang, Lu; Nadeau, Kenny; Gedara Pihillagawa, Indu; Meija, Juris; Mester, Zoltan; Napoli, Romina; Pérez Zambra, Ramiro; Ferreira, Elizabeth; Alejandro Ahumada Forigua, Diego; Abella Gamba, Johanna Paola

    2018-01-01

    After completing a supplementary comparison SIM.QM-S7, the National Metrology Institute of Colombia (NMIC) requested to National Research Council of Canada (NRC) a subsequent bilateral comparison, because INMC considered that its results in SIM.QM-S7 unrepresentative of its standards. In this context, NRC agreed to coordinate this bilateral comparison with the aim of demonstrating the measurement capabilities of trace elements in fresh water. Participants included NMIC and LATU. No measurement method was prescribed by the coordinating laboratory. Therefore, NMIs used measurement methods of their choice. However, the majority of NMIs/DIs used ICP-MS. This SIM.QM-S8 Supplementary Comparison provides NMIs with the needed evidence for CMC claims for trace elements in fresh waters and similar matrices. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  10. QUAST: quality assessment tool for genome assemblies

    PubMed Central

    Gurevich, Alexey; Saveliev, Vladislav; Vyahhi, Nikolay; Tesler, Glenn

    2013-01-01

    Summary: Limitations of genome sequencing techniques have led to dozens of assembly algorithms, none of which is perfect. A number of methods for comparing assemblers have been developed, but none is yet a recognized benchmark. Further, most existing methods for comparing assemblies are only applicable to new assemblies of finished genomes; the problem of evaluating assemblies of previously unsequenced species has not been adequately considered. Here, we present QUAST—a quality assessment tool for evaluating and comparing genome assemblies. This tool improves on leading assembly comparison software with new ideas and quality metrics. QUAST can evaluate assemblies both with a reference genome, as well as without a reference. QUAST produces many reports, summary tables and plots to help scientists in their research and in their publications. In this study, we used QUAST to compare several genome assemblers on three datasets. QUAST tables and plots for all of them are available in the Supplementary Material, and interactive versions of these reports are on the QUAST website. Availability: http://bioinf.spbau.ru/quast Contact: gurevich@bioinf.spbau.ru Supplementary information: Supplementary data are available at Bioinformatics online. PMID:23422339

  11. 3D Printed Fluidic Hardware for DNA Assembly

    DTIC Science & Technology

    2015-04-10

    A3909 stepper motor driver, were soldered onto the milled circuit board (Supplementary Figure 8). Custom Arduino - based firmware was written to take...initiatives such as the FabLab Foundation10. Access to digital fabrication tools and open electronics, such as Arduino and Raspberry Pi, enables access to...hardware for assembly of DNA- based genetic circuits. Solid-phase DNA synthesis has declined in price, enabling researchers to routinely design and

  12. Supplementary physicians' fees: a sustainable system?

    PubMed

    Calcoen, Piet; van de Ven, Wynand P M M

    2018-01-25

    In Belgium and France, physicians can charge a supplementary fee on top of the tariff set by the mandatory basic health insurance scheme. In both countries, the supplementary fee system is under pressure because of financial sustainability concerns and a lack of added value for the patient. Expenditure on supplementary fees is increasing much faster than total health expenditure. So far, measures taken to curb this trend have not been successful. For certain categories of physicians, supplementary fees represent one-third of total income. For patients, however, the added value of supplementary fees is not that clear. Supplementary fees can buy comfort and access to physicians who refuse to treat patients who are not willing to pay supplementary fees. Perceived quality of care plays an important role in patients' willingness to pay supplementary fees. Today, there is no evidence that physicians who charge supplementary fees provide better quality of care than physicians who do not. However, linking supplementary fees to objectively proven quality of care and limiting access to top quality care to patients able and willing to pay supplementary fees might not be socially acceptable in many countries. Our conclusion is that supplementary physicians' fees are not sustainable.

  13. Database citation in supplementary data linked to Europe PubMed Central full text biomedical articles.

    PubMed

    Kafkas, Şenay; Kim, Jee-Hyub; Pi, Xingjun; McEntyre, Johanna R

    2015-01-01

    In this study, we present an analysis of data citation practices in full text research articles and their corresponding supplementary data files, made available in the Open Access set of articles from Europe PubMed Central. Our aim is to investigate whether supplementary data files should be considered as a source of information for integrating the literature with biomolecular databases. Using text-mining methods to identify and extract a variety of core biological database accession numbers, we found that the supplemental data files contain many more database citations than the body of the article, and that those citations often take the form of a relatively small number of articles citing large collections of accession numbers in text-based files. Moreover, citation of value-added databases derived from submission databases (such as Pfam, UniProt or Ensembl) is common, demonstrating the reuse of these resources as datasets in themselves. All the database accession numbers extracted from the supplementary data are publicly accessible from http://dx.doi.org/10.5281/zenodo.11771. Our study suggests that supplementary data should be considered when linking articles with data, in curation pipelines, and in information retrieval tasks in order to make full use of the entire research article. These observations highlight the need to improve the management of supplemental data in general, in order to make this information more discoverable and useful.

  14. Interface projection techniques for fluid-structure interaction modeling with moving-mesh methods

    NASA Astrophysics Data System (ADS)

    Tezduyar, Tayfun E.; Sathe, Sunil; Pausewang, Jason; Schwaab, Matthew; Christopher, Jason; Crabtree, Jason

    2008-12-01

    The stabilized space-time fluid-structure interaction (SSTFSI) technique developed by the Team for Advanced Flow Simulation and Modeling (T★AFSM) was applied to a number of 3D examples, including arterial fluid mechanics and parachute aerodynamics. Here we focus on the interface projection techniques that were developed as supplementary methods targeting the computational challenges associated with the geometric complexities of the fluid-structure interface. Although these supplementary techniques were developed in conjunction with the SSTFSI method and in the context of air-fabric interactions, they can also be used in conjunction with other moving-mesh methods, such as the Arbitrary Lagrangian-Eulerian (ALE) method, and in the context of other classes of FSI applications. The supplementary techniques currently consist of using split nodal values for pressure at the edges of the fabric and incompatible meshes at the air-fabric interfaces, the FSI Geometric Smoothing Technique (FSI-GST), and the Homogenized Modeling of Geometric Porosity (HMGP). Using split nodal values for pressure at the edges and incompatible meshes at the interfaces stabilizes the structural response at the edges of the membrane used in modeling the fabric. With the FSI-GST, the fluid mechanics mesh is sheltered from the consequences of the geometric complexity of the structure. With the HMGP, we bypass the intractable complexities of the geometric porosity by approximating it with an “equivalent”, locally-varying fabric porosity. As test cases demonstrating how the interface projection techniques work, we compute the air-fabric interactions of windsocks, sails and ringsail parachutes.

  15. Method and Effectiveness of an Individualized Exercise of Fundamental Mathematics.

    ERIC Educational Resources Information Center

    Yoshioka, Takayoshi; Nishizawa, Hitoshi; Tsukamoto Takehiko

    2001-01-01

    Describes a method used to provide mathematics students in Japanese colleges of engineering with supplementary exercises to aid their learning. Outlines the online operation of individualized exercises that help the students to understand mathematical methods used to solve problems and also mathematical ideas or concepts upon which methods are…

  16. Surface molecular imprinting onto fluorescein-coated magnetic nanoparticlesvia reversible addition fragmentation chain transfer polymerization: A facile three-in-one system for recognition and separation of endocrine disrupting chemicals

    NASA Astrophysics Data System (ADS)

    Li, Ying; Dong, Cunku; Chu, Jia; Qi, Jingyao; Li, Xin

    2011-01-01

    In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals.In this study, we present a general protocol for the making of surface-imprinted magnetic fluorescence beads viareversible addition-fragmentation chain transfer polymerization. The resulting composites were characterized by X-ray diffraction analysis, transmission electron microscopy, scanning electron microscopy, fluorescence spectroscopy, Fourier transform infrared spectroscopy, and energy dispersive spectroscopy. The as-synthesized beads exhibited homogeneous polymer films (thickness of about 5.7 nm), spherical shape, high fluorescence intensity and magnetic property (Magnetization (Ms) = 3.67 emu g-1). The hybrids bind the original template 17β-estradiol with an appreciable selectivity over structurally related compounds. In addition, the resulting hybrids performed without obvious deterioration after five repeated cycles. This study therefore demonstrates the potential of molecularly imprinted polymers for the recognition and separation of endocrine disrupting chemicals. Electronic supplementary information (ESI) available: Supplementary figure S1. The hysteresis loop of Fe3O4 (a), Fe3O4@SiO2 (b), and Fe3O4@SiO2-Dye-SiO2 (c). See DOI: 10.1039/c0nr00614a

  17. Basic and supplementary sensory feedback in handwriting

    PubMed Central

    Danna, Jérémy; Velay, Jean-Luc

    2015-01-01

    The mastering of handwriting is so essential in our society that it is important to try to find new methods for facilitating its learning and rehabilitation. The ability to control the graphic movements clearly impacts on the quality of the writing. This control allows both the programming of letter formation before movement execution and the online adjustments during execution, thanks to diverse sensory feedback (FB). New technologies improve existing techniques or enable new methods to supply the writer with real-time computer-assisted FB. The possibilities are numerous and various. Therefore, two main questions arise: (1) What aspect of the movement is concerned and (2) How can we best inform the writer to help them correct their handwriting? In a first step, we report studies on FB naturally used by the writer. The purpose is to determine which information is carried by each sensory modality, how it is used in handwriting control and how this control changes with practice and learning. In a second step, we report studies on supplementary FB provided to the writer to help them to better control and learn how to write. We suggest that, depending on their contents, certain sensory modalities will be more appropriate than others to assist handwriting motor control. We emphasize particularly the relevance of auditory modality as online supplementary FB on handwriting movements. Using real-time supplementary FB to assist in the handwriting process is probably destined for a brilliant future with the growing availability and rapid development of tablets. PMID:25750633

  18. Thermodynamic properties and transport coefficients of two-temperature helium thermal plasmas

    NASA Astrophysics Data System (ADS)

    Guo, Xiaoxue; Murphy, Anthony B.; Li, Xingwen

    2017-03-01

    Helium thermal plasmas are in widespread use in arc welding and many other industrial applications. Simulation of these processes relies on accurate plasma property data, such as plasma composition, thermodynamic properties and transport coefficients. Departures from LTE (local thermodynamic equilibrium) generally occur in some regions of helium plasmas. In this paper, properties are calculated allowing for different values of the electron temperature, T e, and heavy-species temperature, T h, at atmospheric pressure from 300 K to 30 000 K. The plasma composition is first calculated using the mass action law, and the two-temperature thermodynamic properties are then derived. The viscosity, diffusion coefficients, electrical conductivity and thermal conductivity of the two-temperature helium thermal plasma are obtained using a recently-developed method that retains coupling between electrons and heavy species by including the electron-heavy-species collision term in the heavy-species Boltzmann equation. It is shown that the viscosity and the diffusion coefficients strongly depend on non-equilibrium ratio θ (θ ={{T}\\text{e}}/{{T}\\text{h}} ), through the plasma composition and the collision integrals. The electrical conductivity, which depends on the electron number density and ordinary diffusion coefficients, and the thermal conductivity have similar dependencies. The choice of definition of the Debye length is shown to affect the electrical conductivity significantly for θ  >  1. By comparing with literature data, it is shown that the coupling between electrons and heavy species has a significant influence on the electrical conductivity, but not on the viscosity. Plasma properties are tabulated in the supplementary data.

  19. Biomimetic synthesis of chiral erbium-doped silver/peptide/silica core-shell nanoparticles (ESPN)

    NASA Astrophysics Data System (ADS)

    Mantion, Alexandre; Graf, Philipp; Florea, Ileana; Haase, Andrea; Thünemann, Andreas F.; Mašić, Admir; Ersen, Ovidiu; Rabu, Pierre; Meier, Wolfgang; Luch, Andreas; Taubert, Andreas

    2011-12-01

    Peptide-modified silver nanoparticles have been coated with an erbium-doped silica layer using a method inspired by silica biomineralization. Electron microscopy and small-angle X-ray scattering confirm the presence of an Ag/peptide core and silica shell. The erbium is present as small Er2O3 particles in and on the silica shell. Raman, IR, UV-Vis, and circular dichroism spectroscopies show that the peptide is still present after shell formation and the nanoparticles conserve a chiral plasmon resonance. Magnetic measurements find a paramagnetic behavior. In vitro tests using a macrophage cell line model show that the resulting multicomponent nanoparticles have a low toxicity for macrophages, even on partial dissolution of the silica shell.Peptide-modified silver nanoparticles have been coated with an erbium-doped silica layer using a method inspired by silica biomineralization. Electron microscopy and small-angle X-ray scattering confirm the presence of an Ag/peptide core and silica shell. The erbium is present as small Er2O3 particles in and on the silica shell. Raman, IR, UV-Vis, and circular dichroism spectroscopies show that the peptide is still present after shell formation and the nanoparticles conserve a chiral plasmon resonance. Magnetic measurements find a paramagnetic behavior. In vitro tests using a macrophage cell line model show that the resulting multicomponent nanoparticles have a low toxicity for macrophages, even on partial dissolution of the silica shell. Electronic supplementary information (ESI) available: Figures S1 to S12, Tables S1 and S2. See DOI: 10.1039/c1nr10930h

  20. USEPA MANUAL OF METHODS FOR VIROLOGY | Science ...

    EPA Pesticide Factsheets

    This chapter describes procedures for the detection of coliphases in water matrices. These procedures are based on those presented in the Supplement to the 20th Edition of Standard Methods for the Examination of Water and Eastewater and EPA Methods 1601 and 1602. Two quantitative procedures and one qualitative, presence-absence procedures are presented. The procedures can be used, without supplementary methods, to assay small volumes of water (10 mL to 1L). For larger volumes (>100L), large-scale concentration methods such as described in Chapter 14 may be incorporated into the assay scheme. However, as some concentration procedures may result in appreciable loss or inactivation of coliphage, it is recommended that the suitability of any large volume concentration method be evaluated in measured recovery trials before implementation. Develop sensitive techniques to detect and identify emerging human waterborne pathogenic viruses and viruses on the CCL.Determine effectiveness of viral indicators to measure microbial quality in water matrices.Support activities: (a) culture and distribution of mammalian cells for Agency and scientific community research needs, (b) provide operator expertise for research requiring confocal and electron microscopy, (c) glassware cleaning, sterilization and biological waste disposal for the Cincinnati EPA facility, (d) operation of infectious pathogenic suite, (e) maintenance of walk-in constant temperature rooms and (f) provid

  1. MATRIX DISCRIMINANT ANALYSIS WITH APPLICATION TO COLORIMETRIC SENSOR ARRAY DATA

    PubMed Central

    Suslick, Kenneth S.

    2014-01-01

    With the rapid development of nano-technology, a “colorimetric sensor array” (CSA) which is referred to as an optical electronic nose has been developed for the identification of toxicants. Unlike traditional sensors which rely on a single chemical interaction, CSA can measure multiple chemical interactions by using chemo-responsive dyes. The color changes of the chemo-responsive dyes are recorded before and after exposure to toxicants and serve as a template for classification. The color changes are digitalized in the form of a matrix with rows representing dye effects and columns representing the spectrum of colors. Thus, matrix-classification methods are highly desirable. In this article, we develop a novel classification method, matrix discriminant analysis (MDA), which is a generalization of linear discriminant analysis (LDA) for the data in matrix form. By incorporating the intrinsic matrix-structure of the data in discriminant analysis, the proposed method can improve CSA’s sensitivity and more importantly, specificity. A penalized MDA method, PMDA, is also introduced to further incorporate sparsity structure in discriminant function. Numerical studies suggest that the proposed MDA and PMDA methods outperform LDA and other competing discriminant methods for matrix predictors. The asymptotic consistency of MDA is also established. R code and data are available online as supplementary material. PMID:26783371

  2. Aligned carbon nanotube, graphene and graphite oxide thin films via substrate-directed rapid interfacial deposition

    NASA Astrophysics Data System (ADS)

    D'Arcy, Julio M.; Tran, Henry D.; Stieg, Adam Z.; Gimzewski, James K.; Kaner, Richard B.

    2012-05-01

    A procedure for depositing thin films of carbon nanostructures is described that overcomes the limitations typically associated with solution based methods. Transparent and conductively continuous carbon coatings can be grown on virtually any type of substrate within seconds. Interfacial surface tension gradients result in directional fluid flow and film spreading at the water/oil interface. Transparent films of carbon nanostructures are produced including aligned ropes of single-walled carbon nanotubes and assemblies of single sheets of chemically converted graphene and graphite oxide. Process scale-up, layer-by-layer deposition, and a simple method for coating non-activated hydrophobic surfaces are demonstrated.A procedure for depositing thin films of carbon nanostructures is described that overcomes the limitations typically associated with solution based methods. Transparent and conductively continuous carbon coatings can be grown on virtually any type of substrate within seconds. Interfacial surface tension gradients result in directional fluid flow and film spreading at the water/oil interface. Transparent films of carbon nanostructures are produced including aligned ropes of single-walled carbon nanotubes and assemblies of single sheets of chemically converted graphene and graphite oxide. Process scale-up, layer-by-layer deposition, and a simple method for coating non-activated hydrophobic surfaces are demonstrated. Electronic supplementary information (ESI) available: Droplet coalescence, catenoid formation, mechanism of film growth, scanning electron micrographs showing carbon nanotube alignment, flexible transparent films of SWCNTs, AFM images of a chemically converted graphene film, and SEM images of SWCNT free-standing thin films. See DOI: 10.1039/c2nr00010e

  3. A multi-stimuli responsive switch as a fluorescent molecular analogue of transistors† †Electronic supplementary information (ESI) available: Detailed experimental procedures and additional data on the characterization of 1. See DOI: 10.1039/c5sc03395k Click here for additional data file.

    PubMed Central

    Gallardo, Iluminada; Morais, Sandy; Prats, Gemma

    2016-01-01

    Although the quantum nature of molecules makes them specially suitable for mimicking the operation of digital electronic elements, molecular compounds can also be envisioned to emulate the behavior of analog devices. In this work we report a novel fluorescent three-state switch capable of reproducing the analog response of transistors, an ubiquitous device in modern electronics. Exploiting the redox and thermal sensitivity of this compound, the amplitude of its fluorescence emission can be continuously modulated, in a similar way as the output current in a transistor is amplified by the gate-to-source voltage. PMID:28959394

  4. Controlled synthesis of magnetic iron oxides@SnO2 quasi-hollow core-shell heterostructures: formation mechanism, and enhanced photocatalytic activity

    NASA Astrophysics Data System (ADS)

    Wu, Wei; Zhang, Shaofeng; Ren, Feng; Xiao, Xiangheng; Zhou, Juan; Jiang, Changzhong

    2011-11-01

    Iron oxide/SnO2 magnetic semiconductor core-shell heterostructures with high purity were synthesized by a low-cost, surfactant-free and environmentally friendly hydrothermal strategy via a seed-mediated method. The morphology and structure of the hybrid nanostructures were characterized by means of high-resolution transmission electron microscopy and X-ray diffraction. The morphology evolution investigations reveal that the Kirkendall effect directs the diffusion and causes the formation of iron oxide/SnO2 quasi-hollow particles. Significantly, the as-obtained iron oxides/SnO2 core-shell heterostructures exhibited enhanced visible light or UV photocatalytic abilities, remarkably superior to as-used α-Fe2O3 seeds and commercial SnO2 products, mainly owing to the effective electron hole separation at the iron oxides/SnO2 interfaces.Iron oxide/SnO2 magnetic semiconductor core-shell heterostructures with high purity were synthesized by a low-cost, surfactant-free and environmentally friendly hydrothermal strategy via a seed-mediated method. The morphology and structure of the hybrid nanostructures were characterized by means of high-resolution transmission electron microscopy and X-ray diffraction. The morphology evolution investigations reveal that the Kirkendall effect directs the diffusion and causes the formation of iron oxide/SnO2 quasi-hollow particles. Significantly, the as-obtained iron oxides/SnO2 core-shell heterostructures exhibited enhanced visible light or UV photocatalytic abilities, remarkably superior to as-used α-Fe2O3 seeds and commercial SnO2 products, mainly owing to the effective electron hole separation at the iron oxides/SnO2 interfaces. Electronic supplementary information (ESI) available: TEM and HRTEM images of hematite seeds and iron oxide/SnO2 (12 h and 36 h). See DOI: 10.1039/c1nr10728c

  5. Final report on APMP.QM-S5: Essential and toxic elements in seafood

    NASA Astrophysics Data System (ADS)

    Valiente, Liliana; Bennett, John W.; Caciano de Sena, Rodrigo; Kotzeva, Boriana; Massiff, Gabriela; Chao, Jingbo; Wang, Jun; Nasr, Randa; Labarraque, Guillaume; Kakoulidis, Elias; Lampi, Eugenia; Wai-mei Sin, Della; Mok, Chuen-shing; Wong, Siu-kay; Yip, Yiu-chung; Gopala Aggarwal, Shankar; Gupta, Prabhat K.; Zhu, Yanbei; Miyashita, Shin-ichi; Yim, Yong-Hyeon; Zakaria, Osman; Manzano, Judith Velina Lara; Shin, Richard; Horvat, Milena; Yafa, Charun

    2013-01-01

    The supplementary comparison APMP.QM-S5 was undertaken to demonstrate the capability of participating national metrology institutes (NMIs) and designated institutes (DIs) in measuring the contents of the incurred essential elements (iron and zinc) and toxic elements (total arsenic and cadmium) at µg/g levels in a test sample of dried shrimp by various analytical techniques. At the APMP TCQM Meeting held in Pattaya, Thailand in November 2010, Government Laboratory of the Government of the Hong Kong Special Administrative Region (GLHK) proposed this APMP supplementary comparison. The proposal was further discussed and agreed upon at the CCQM Inorganic Analysis Working Group Meeting held in Paris in April 2011. GLHK was the coordinating laboratory for the supplementary comparison. For enhancing the collaboration amongst specialized regional bodies in Asia-Pacific and to help build the laboratory capacity of NMIs/DIs from developing economies, the reference values of the supplementary comparison are used for evaluation of performance of participants of an APMP proficiency testing programme (APMP PT 11-01), an Asia-Pacific Laboratory Accreditation Cooperation proficiency testing programme (APLAC T082) and an Asia-Pacific Economic Co-operation proficiency testing programme (APEC PT), which were concurrently run using the same testing material as in APMP.QM-S5. The supplementary comparison serves to facilitate claims by participants on the Calibration and Measurement Capabilities (CMCs) as listed in Appendix C of the Key Comparison Database (KCDB) under the Mutual Recognition Arrangement of the International Committee for Weights and Measures (CIPM MRA). A total of 18 institutes registered for the supplementary comparison and all of them submitted their results. Most of the participants used microwave acid digestion methods for sample dissolution. For the instrumental determination, a variety of techniques like ICP-MS, ICP-OES, INAA and AAS were employed by the participants. For this supplementary comparison, inorganic core capabilities have been demonstrated by concerned participants with respect to methods including ICP-MS (without isotope dilution), ID-ICP-MS, ICP-OES, INAA and AAS on the determination of total arsenic, cadmium, iron and zinc in a matrix of seafood. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the APMP, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

  6. Improving supplementary feeding in species conservation.

    PubMed

    Ewen, John G; Walker, Leila; Canessa, Stefano; Groombridge, Jim J

    2015-04-01

    Supplementary feeding is often a knee-jerk reaction to population declines, and its application is not critically evaluated, leading to polarized views among managers on its usefulness. Here, we advocate a more strategic approach to supplementary feeding so that the choice to use it is clearly justified over, or in combination with, other management actions and the predicted consequences are then critically assessed following implementation. We propose combining methods from a set of specialist disciplines that will allow critical evaluation of the need, benefit, and risks of food supplementation. Through the use of nutritional ecology, population ecology, and structured decision making, conservation managers can make better choices about what and how to feed by estimating consequences on population recovery across a range of possible actions. This structured approach also informs targeted monitoring and more clearly allows supplementary feeding to be integrated in recovery plans and reduces the risk of inefficient decisions. In New Zealand, managers of the endangered Hihi (Notiomystis cincta) often rely on supplementary feeding to support reintroduced populations. On Kapiti island the reintroduced Hihi population has responded well to food supplementation, but the logistics of providing an increasing demand recently outstretched management capacity. To decide whether and how the feeding regime should be revised, managers used a structured decision making approach informed by population responses to alternative feeding regimes. The decision was made to reduce the spatial distribution of feeders and invest saved time in increasing volume of food delivered into a smaller core area. The approach used allowed a transparent and defendable management decision in regard to supplementary feeding, reflecting the multiple objectives of managers and their priorities. © 2014 The Authors. Conservation Biology published by Wiley Periodicals, Inc., on behalf of Society for Conservation Biology.

  7. Reflections on the Journal of Applied Psychology for 1989 to 1994: Changes in major research themes and practices over 25 years.

    PubMed

    Schmitt, Neal

    2017-03-01

    Informal observations concerning journal content indicates that research investigating organizational behavior topics, including work on the structure of groups and determinants and consequences of group process along with the role of leadership in groups, has increased. Some topics have disappeared (e.g., job analysis, human factors, union-related work, consumer behavior) and others are declining (e.g., research methods, psychometrics). Perhaps the biggest change is in the length of articles, which is mostly a function of the inclusion of greater numbers of references and appendix material. Publishing some of this material in supplementary online materials is now current practice in the Journal of Applied Psychology. Concerns about use of journal space may also be entirely moot, if electronic publishing as opposed to print publishing becomes the norm. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

  8. Pharmaceutical polymorph control in a drug-mimetic supramolecular gel† †Electronic supplementary information (ESI) available: Synthetic and crystallographic experimental details, rheology, full crystallization and calculation details. See DOI: 10.1039/c6sc04126d Click here for additional data file.

    PubMed Central

    Foster, Jonathan A.; Damodaran, Krishna K.; Maurin, Antoine; Thompson, Hugh P. G.; Cameron, Gary J.; Bernal, Jenifer Cuesta

    2017-01-01

    We report the synthesis of a bis(urea) gelator designed to specifically mimic the chemical structure of the highly polymorphic drug substance ROY. Crystallization of ROY from toluene gels of this gelator results in the formation of the metastable red form instead of the thermodynamic yellow polymorph. In contrast, all other gels and solution control experiments give the yellow form. Conformational and crystal structure prediction methods have been used to propose the structure of the gel and show that the templation of the red form by the targeted gel results from conformational matching of the gelator to the ROY substrate coupled with overgrowth of ROY onto the local periodic structure of the gel fibres. PMID:28451150

  9. One-pot palladium-catalyzed synthesis of sulfonyl fluorides from aryl bromides† †Electronic supplementary information (ESI) available: Experimental details and supporting characterisation data. See DOI: 10.1039/c6sc03924c Click here for additional data file.

    PubMed Central

    Davies, Alyn T.; Curto, John M.

    2017-01-01

    A mild, efficient synthesis of sulfonyl fluorides from aryl and heteroaryl bromides utilizing palladium catalysis is described. The process involves the initial palladium-catalyzed sulfonylation of aryl bromides using DABSO as an SO2 source, followed by in situ treatment of the resultant sulfinate with the electrophilic fluorine source NFSI. This sequence represents the first general method for the sulfonylation of aryl bromides, and offers a practical, one-pot alternative to previously described syntheses of sulfonyl fluorides, allowing rapid access to these biologically important molecules. Excellent functional group tolerance is demonstrated, with the transformation successfully achieved on a number of active pharmaceutical ingredients, and their precursors. The preparation of peptide-derived sulfonyl fluorides is also demonstrated. PMID:28451264

  10. Vibrational spectroscopy and imaging for concurrent cellular trafficking of co-localized doxorubicin and deuterated phospholipid vesicles

    NASA Astrophysics Data System (ADS)

    Misra, S. K.; Mukherjee, P.; Ohoka, A.; Schwartz-Duval, A. S.; Tiwari, S.; Bhargava, R.; Pan, D.

    2016-01-01

    Simultaneous tracking of nanoparticles and encapsulated payload is of great importance and visualizing their activity is arduous. Here we use vibrational spectroscopy to study the in vitro tracking of co-localized lipid nanoparticles and encapsulated drug employing a model system derived from doxorubicin-encapsulated deuterated phospholipid (dodecyl phosphocholine-d38) single tailed phospholipid vesicles.Simultaneous tracking of nanoparticles and encapsulated payload is of great importance and visualizing their activity is arduous. Here we use vibrational spectroscopy to study the in vitro tracking of co-localized lipid nanoparticles and encapsulated drug employing a model system derived from doxorubicin-encapsulated deuterated phospholipid (dodecyl phosphocholine-d38) single tailed phospholipid vesicles. Electronic supplementary information (ESI) available: Raman and confocal images of the Deuto-DOX-NPs in cells, materials and details of methods. See DOI: 10.1039/c5nr07975f

  11. FAS 33: accurately recording effects of changing prices.

    PubMed

    Sage, L G

    1987-02-01

    FAS 33 addresses the problem of distortion in conventional historical cost financial statements because of changing prices. It requires 1300 business enterprises to report selected changing price data on a supplementary basis. It has been demonstrated that it is also feasible and beneficial for hospitals to present price disclosures as supplementary information to their financial statements. The possible application of FAS 33 is supported on the basis that the accounting and reporting methods of healthcare institutions are similar to the accounting and reporting practices of profit-seeking entities.

  12. Reduced Heat Flux Through Preferential Surface Reactions Leading to Vibrationally and Electronically Excited Product States

    DTIC Science & Technology

    2016-03-04

    release. 13. SUPPLEMENTARY NOTES 14. ABSTRACT Instead of characterizing a hypersonic flight environment and then selecting an appropriate thermal ...Instead of characterizing a hypersonic flight environment and then selecting an appropriate thermal protection system (TPS) that can survive the...than the O2(a1Δg) production rate on the surface. It is also interesting to note that the ground state formation seems to approach a constant

  13. An Analysis of the Training and Development of the Contract Specialist 1102 Interns

    DTIC Science & Technology

    2010-12-01

    get a broad view of contracting and interns are encouraged to join groups such as NCMA to help them with learning. The workforce development chiefs...NUMBER 11. SUPPLEMENTARY NOTES The views expressed in this thesis are those of the author and do not reflect the official policy or position of the...Center CECOM Communications Electronics Command CSRS Civil Service Retirement System DA Department of the Army DAPA Defense Acquisition

  14. Understanding Social Media and Mass Mobilization in the Operational Environment

    DTIC Science & Technology

    2015-05-21

    Word of mouth became the main tool for planning the next steps, confirmed Saif. Demonstrators at Tahrir agreed before they left to convene the next day...environment. Whereas large groups had to rely on information distributed in the group through word of mouth in the past, modern mass mobilization uses social...Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT The advent of social media combined with unfettered access to inexpensive mobile electronic devices has

  15. Stage-Rocked Electron Channeling for Crystal Orientation Mapping (Postprint)

    DTIC Science & Technology

    2018-03-26

    SUPPLEMENTARY NOTES PA Case Number: 88ABW-2017-6217; Clearance Date: 11 Dec 2017. This document contains color . Journal article published in...broad adoption of this technique. In addition, it suffers from poor spatial resolution (~500 nm) and limited angular field of view (FOV) (typically 10...EBSD (or less commonly SACP) the specimen can be tilted into a “ two -beam” condition19. By capturing BSE images at several condi- tions, the Burger’s

  16. Organocatalytic activation of isocyanides: N-heterocyclic carbene-catalyzed enaminone synthesis from ketones† †Electronic supplementary information (ESI) available: Full data for reaction conditions optimizations, detailed experimental procedures, and full characterization of substrates and products. Crystallographic data for compound 3sa. CCDC 1503347. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc05266e Click here for additional data file. Click here for additional data file.

    PubMed Central

    Kim, Jungwon

    2017-01-01

    The first example of the use of an N-heterocyclic carbene (NHC) as an organocatalyst for the activation of isocyanides was demonstrated. On the basis of previous reports on the interaction between NHCs and isocyanides, we developed a catalytic cycle involving transient imidoyl intermediate. The reaction of ketones with isocyanides produced the corresponding enaminones with high efficiency. Control experiments suggested a novel role for the carbene in the activation of isocyanides, and a proton transfer process was found to be crucial for the generation of two activated species in the catalytic cycle. Various enaminones, some of which are not easily accessible by other methods, were synthesized in excellent yields. This study clearly demonstrates the potential of the nucleophilic activation of isocyanides in the expansion of their reactivity scope. PMID:28451346

  17. Post-synthetic halide conversion and selective halogen capture in hybrid perovskites† †Electronic supplementary information (ESI) available. CCDC 1048945–1048947. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01135c

    PubMed Central

    Solis-Ibarra, D.; Smith, I. C.

    2015-01-01

    Reaction with halogen vapor allows us to post-synthetically exchange halides in both three- (3D) and two-dimensional (2D) organic–inorganic metal-halide perovskites. Films of 3D Pb–I perovskites cleanly convert to films of Pb–Br or Pb–Cl perovskites upon exposure to Br2 or Cl2 gas, respectively. This gas–solid reaction provides a simple method to produce the high-quality Pb–Br or Pb–Cl perovskite films required for optoelectronic applications. Reactivity with halogens can be extended to the organic layers in 2D metal-halide perovskites. Here, terminal alkene groups placed between the inorganic layers can capture Br2 gas through chemisorption to form dibromoalkanes. This reaction's selectivity for Br2 over I2 allows us to scrub Br2 to obtain high-purity I2 gas streams. We also observe unusual halogen transfer between the inorganic and organic layers within a single perovskite structure. Remarkably, the perovskite's crystallinity is retained during these massive structural rearrangements. PMID:29218171

  18. Use of X-ray diffraction to quantify amorphous supplementary cementitious materials in anhydrous and hydrated blended cements

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

    Snellings, R., E-mail: ruben.snellings@epfl.ch; Salze, A.; Scrivener, K.L., E-mail: karen.scrivener@epfl.ch

    2014-10-15

    The content of individual amorphous supplementary cementitious materials (SCMs) in anhydrous and hydrated blended cements was quantified by the PONKCS [1] X-ray diffraction (XRD) method. The analytical precision and accuracy of the method were assessed through comparison to a series of mixes of known phase composition and of increasing complexity. A 2σ precision smaller than 2–3 wt.% and an accuracy better than 2 wt.% were achieved for SCMs in mixes with quartz, anhydrous Portland cement, and hydrated Portland cement. The extent of reaction of SCMs in hydrating binders measured by XRD was 1) internally consistent as confirmed through the standardmore » addition method and 2) showed a linear correlation to the cumulative heat release as measured independently by isothermal conduction calorimetry. The advantages, limitations and applicability of the method are discussed with reference to existing methods that measure the degree of reaction of SCMs in blended cements.« less

  19. Reversible solvatomagnetic switching in a single-ion magnet from an entatic state† †Electronic supplementary information (ESI) available: Preparation methods and physical characterization data. Crystallographic refinement and computational details. Additional figures (Fig. S1–S12) and tables (Tables S1–S5). CCDC 952077 and 938463. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc05188j Click here for additional data file. Click here for additional data file.

    PubMed Central

    Vallejo, J.; Viciano-Chumillas, M.; Castro, I.; Amorós, P.; Déniz, M.; Ruiz-Pérez, C.; Yuste-Vivas, C.; Krzystek, J.; Julve, M.; Lloret, F.

    2017-01-01

    A vast impact on molecular nanoscience can be achieved using simple transition metal complexes as dynamic chemical systems to perform specific and selective tasks under the control of an external stimulus that switches “ON” and “OFF” their electronic properties. While the interest in single-ion magnets (SIMs) lies in their potential applications in information storage and quantum computing, the switching of their slow magnetic relaxation associated with host–guest processes is insufficiently explored. Herein, we report a unique example of a mononuclear cobalt(ii) complex in which geometrical constraints are the cause of easy and reversible water coordination and its release. As a result, a reversible and selective colour and SIM behaviour switch occurs between a “slow-relaxing” deep red anhydrous material (compound 1) and its “fast-relaxing” orange hydrated form (compound 2). The combination of this optical and magnetic switching in this new class of vapochromic and thermochromic SIMs offers fascinating possibilities for designing multifunctional molecular materials. PMID:28580105

  20. An approach for multi-objective optimization of vehicle suspension system

    NASA Astrophysics Data System (ADS)

    Koulocheris, D.; Papaioannou, G.; Christodoulou, D.

    2017-10-01

    In this paper, a half car model of with nonlinear suspension systems is selected in order to study the vertical vibrations and optimize its suspension system with respect to ride comfort and road holding. A road bump was used as road profile. At first, the optimization problem is solved with the use of Genetic Algorithms with respect to 6 optimization targets. Then the k - ɛ optimization method was implemented to locate one optimum solution. Furthermore, an alternative approach is presented in this work: the previous optimization targets are separated in main and supplementary ones, depending on their importance in the analysis. The supplementary targets are not crucial to the optimization but they could enhance the main objectives. Thus, the problem was solved again using Genetic Algorithms with respect to the 3 main targets of the optimization. Having obtained the Pareto set of solutions, the k - ɛ optimality method was implemented for the 3 main targets and the supplementary ones, evaluated by the simulation of the vehicle model. The results of both cases are presented and discussed in terms of convergence of the optimization and computational time. The optimum solutions acquired from both cases are compared based on performance metrics as well.

  1. Supplementary search methods were more effective and offered better value than bibliographic database searching: A case study from public health and environmental enhancement.

    PubMed

    Cooper, Chris; Lovell, Rebecca; Husk, Kerryn; Booth, Andrew; Garside, Ruth

    2018-06-01

    We undertook a systematic review to evaluate the health benefits of environmental enhancement and conservation activities. We were concerned that a conventional process of study identification, focusing on exhaustive searches of bibliographic databases as the primary search method, would be ineffective, offering limited value. The focus of this study is comparing study identification methods. We compare (1) an approach led by searches of bibliographic databases with (2) an approach led by supplementary search methods. We retrospectively assessed the effectiveness and value of both approaches. Effectiveness was determined by comparing (1) the total number of studies identified and screened and (2) the number of includable studies uniquely identified by each approach. Value was determined by comparing included study quality and by using qualitative sensitivity analysis to explore the contribution of studies to the synthesis. The bibliographic databases approach identified 21 409 studies to screen and 2 included qualitative studies were uniquely identified. Study quality was moderate, and contribution to the synthesis was minimal. The supplementary search approach identified 453 studies to screen and 9 included studies were uniquely identified. Four quantitative studies were poor quality but made a substantive contribution to the synthesis; 5 studies were qualitative: 3 studies were good quality, one was moderate quality, and 1 study was excluded from the synthesis due to poor quality. All 4 included qualitative studies made significant contributions to the synthesis. This case study found value in aligning primary methods of study identification to maximise location of relevant evidence. Copyright © 2017 John Wiley & Sons, Ltd.

  2. Quick and simple estimation of bacteria using a fluorescent paracetamol dimer-Au nanoparticle composite

    NASA Astrophysics Data System (ADS)

    Sahoo, Amaresh Kumar; Sharma, Shilpa; Chattopadhyay, Arun; Ghosh, Siddhartha Sankar

    2012-02-01

    Rapid, simple and sensitive detection of bacterial contamination is critical for safeguarding public health and the environment. Herein, we report an easy method of detection as well as enumeration of the bacterial cell number on the basis of fluorescence quenching of a non-antibacterial fluorescent nanocomposite, consisting of paracetamol dimer (PD) and Au nanoparticles (NPs), in the presence of bacteria. The composite was synthesized by reaction of paracetamol (p-hydroxyacetanilide) with HAuCl4. The Au NPs of the composite were characterized using UV-Vis spectroscopy, transmission electron microscopy (TEM), X-ray diffraction and selected area electron diffraction analysis. The paracetamol dimer in the composite showed emission peak at 435 nm when excited at 320 nm. The method successfully detected six bacterial strains with a sensitivity of 100 CFU mL-1. The Gram-positive and Gram-negative bacteria quenched the fluorescence of the composite differently, making it possible to distinguish between the two. The TEM analysis showed interaction of the composite with bacteria without any apparent damage to the bacteria. The chi-square test established the accuracy of the method. Quick, non-specific and highly sensitive detection of bacteria over a broad range of logarithmic dilutions within a short span of time demonstrates the potential of this method as an alternative to conventional methods.Rapid, simple and sensitive detection of bacterial contamination is critical for safeguarding public health and the environment. Herein, we report an easy method of detection as well as enumeration of the bacterial cell number on the basis of fluorescence quenching of a non-antibacterial fluorescent nanocomposite, consisting of paracetamol dimer (PD) and Au nanoparticles (NPs), in the presence of bacteria. The composite was synthesized by reaction of paracetamol (p-hydroxyacetanilide) with HAuCl4. The Au NPs of the composite were characterized using UV-Vis spectroscopy, transmission electron microscopy (TEM), X-ray diffraction and selected area electron diffraction analysis. The paracetamol dimer in the composite showed emission peak at 435 nm when excited at 320 nm. The method successfully detected six bacterial strains with a sensitivity of 100 CFU mL-1. The Gram-positive and Gram-negative bacteria quenched the fluorescence of the composite differently, making it possible to distinguish between the two. The TEM analysis showed interaction of the composite with bacteria without any apparent damage to the bacteria. The chi-square test established the accuracy of the method. Quick, non-specific and highly sensitive detection of bacteria over a broad range of logarithmic dilutions within a short span of time demonstrates the potential of this method as an alternative to conventional methods. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr11837h

  3. Rhodium(i)-catalyzed asymmetric [4 + 2] cycloaddition reactions of 2-alkylenecyclobutanols with cyclic enones through C–C bond cleavage: efficient access to trans-bicyclic compounds† †Electronic supplementary information (ESI) available. CCDC 1575240. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04784c

    PubMed Central

    Zheng, Xinxin; Guo, Rui

    2018-01-01

    We report a rhodium-catalyzed asymmetric formal intermolecular [4 + 2] cycloaddition reaction of 2-alkylenecyclobutanols with α,β-unsaturated cyclic ketones leading to synthetically useful trans-bicyclic molecules. Three consecutive stereogenic centers are formed in a highly enantio- and diastereoselective manner. Stepwise C–C bond cleavage and annulation are likely involved in the reaction pathway. Here, iPr-Duphos is the viable chiral ligand that promotes excellent enantio-control. PMID:29675233

  4. Does the thermal evolution of molecular structures critically affect the magnetic anisotropy?† †Electronic supplementary information (ESI) available. CCDC 1045631–1045633. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01245g

    PubMed Central

    Qian, Kang; Baldoví, José J.; Zhang, Yi-Quan; Overgaard, Jacob; Wang, Bing-Wu

    2015-01-01

    A dysprosium based single-ion magnet is synthesized and characterized by the angular dependence of the single-crystal magnetic susceptibility. Ab initio and effective electrostatic analyses are performed using the molecular structures determined from single crystal X-ray diffraction at 20 K, 100 K and 300 K. Contrary to the common assumption, the results reveal that the structural thermal effects that may affect the energy level scheme and magnetic anisotropy below 100 K are negligible. PMID:29568416

  5. Rapid access to diverse, trifluoromethyl-substituted alkenes using complementary strategies† †Electronic supplementary information (ESI) available. CCDC 1811877, 1817386–1817390. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc05420c

    PubMed Central

    Phelan, James P.; Wiles, Rebecca J.; Lang, Simon B.; Kelly, Christopher B.

    2018-01-01

    Two synergistic approaches to the facile assembly of complex α-trifluoromethyl alkenes are described. Using α-trifluoromethyl-β-silyl alcohols as masked trifluoromethyl alkenes, cross-coupling or related functionalization processes at distal electrophilic sites can be executed without inducing Peterson elimination. Subsequent Lewis acidic activation affords functionalized α-trifluoromethyl alkenes. Likewise, the development of a novel α-trifluoromethylvinyl trifluoroborate reagent complements this approach and allows a one-step cross-coupling of (hetero)aryl halides to access a broad array of complex α-trifluoromethyl alkenes. PMID:29732105

  6. Few-layered CoHPO4.3H2O ultrathin nanosheets for high performance of electrode materials for supercapacitors

    NASA Astrophysics Data System (ADS)

    Pang, Huan; Wang, Shaomei; Shao, Weifang; Zhao, Shanshan; Yan, Bo; Li, Xinran; Li, Sujuan; Chen, Jing; Du, Weimin

    2013-06-01

    Ultrathin cobalt phosphate (CoHPO4.3H2O) nanosheets are successfully synthesized by a one pot hydrothermal method. Novel CoHPO4.3H2O ultrathin nanosheets are assembled for constructing the electrodes of supercapacitors. Benefiting from the nanostructures, the as-prepared electrode shows a specific capacitance of 413 F g-1, and no obvious decay even after 3000 charge-discharge cycles. Such a quasi-two-dimensional material is a new kind of supercapacitor electrode material with high performance.Ultrathin cobalt phosphate (CoHPO4.3H2O) nanosheets are successfully synthesized by a one pot hydrothermal method. Novel CoHPO4.3H2O ultrathin nanosheets are assembled for constructing the electrodes of supercapacitors. Benefiting from the nanostructures, the as-prepared electrode shows a specific capacitance of 413 F g-1, and no obvious decay even after 3000 charge-discharge cycles. Such a quasi-two-dimensional material is a new kind of supercapacitor electrode material with high performance. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr01460f

  7. Detection of antimicrobial resistance-associated proteins by titanium dioxide-facilitated intact bacteria mass spectrometry† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04089j

    PubMed Central

    Zhu, Yingdi; Gasilova, Natalia; Jović, Milica; Qiao, Liang; Liu, Baohong; Lovey, Lysiane Tissières; Pick, Horst

    2018-01-01

    Titanium dioxide-modified target plates were developed to enhance intact bacteria analysis by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The plates were designed to photocatalytically destroy the bacterial envelope structure and improve the ionization efficiency of intracellular components, thereby promoting the measurable mass range and the achievable detection sensitivity. Accordingly, a method for rapid detection of antimicrobial resistance-associated proteins, conferring bacterial resistance against antimicrobial drugs, was established by mass spectrometric fingerprinting of intact bacteria without the need for any sample pre-treatment. With this method, the variations in resistance proteins’ expression levels within bacteria were quickly measured from the relative peak intensities. This approach of resistance protein detection directly from intact bacteria by mass spectrometry is useful for fast discrimination of antimicrobial-resistant bacteria from their non-resistant counterparts whilst performing species identification. Also, it could be used as a rapid and convenient way for initial determination of the underlying resistance mechanisms. PMID:29719694

  8. Automatic classification of singular elements for the electrostatic analysis of microelectromechanical systems

    NASA Astrophysics Data System (ADS)

    Su, Y.; Ong, E. T.; Lee, K. H.

    2002-05-01

    The past decade has seen an accelerated growth of technology in the field of microelectromechanical systems (MEMS). The development of MEMS products has generated the need for efficient analytical and simulation methods for minimizing the requirement for actual prototyping. The boundary element method is widely used in the electrostatic analysis for MEMS devices. However, singular elements are needed to accurately capture the behavior at singular regions, such as sharp corners and edges, where standard elements fail to give an accurate result. The manual classification of boundary elements based on their singularity conditions is an immensely laborious task, especially when the boundary element model is large. This process can be automated by querying the geometric model of the MEMS device for convex edges based on geometric information of the model. The associated nodes of the boundary elements on these edges can then be retrieved. The whole process is implemented in the MSC/PATRAN platform using the Patran Command Language (the source code is available as supplementary data in the electronic version of this journal issue).

  9. An exploration of self-management support in the context of palliative nursing: a modified concept analysis

    PubMed Central

    2014-01-01

    Background The role of self-management is often ambiguous, yet, it is an important area in clinical practice for palliative nurses. A clear conceptual understanding, however, of what it represents is lacking. Method This paper reports an analysis of the concept of self-management support in palliative nursing. Avant and Walker’s method was used to guide this concept analysis. A search of electronic databases (1990–2013), use of internet search engines and supplementary hand searching produced an international data set of reviews, empirical research, editorials, protocols and guidelines. Results Based on the analysis self-management support in palliative nursing has been defined as assessing, planning, and implementing appropriate care to enable the patient to live until they die and supporting the patient to be given the means to master or deal with their illness or their effects of their illness themselves. Conclusions Clarity with the concept of self-management support and palliative nursing could enable nurses to provide more patient and family centred care to people facing life threatening illnesses. PMID:25120381

  10. MoleculeNet: a benchmark for molecular machine learning† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc02664a

    PubMed Central

    Wu, Zhenqin; Ramsundar, Bharath; Feinberg, Evan N.; Gomes, Joseph; Geniesse, Caleb; Pappu, Aneesh S.; Leswing, Karl

    2017-01-01

    Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard benchmark to compare the efficacy of proposed methods; most new algorithms are benchmarked on different datasets making it challenging to gauge the quality of proposed methods. This work introduces MoleculeNet, a large scale benchmark for molecular machine learning. MoleculeNet curates multiple public datasets, establishes metrics for evaluation, and offers high quality open-source implementations of multiple previously proposed molecular featurization and learning algorithms (released as part of the DeepChem open source library). MoleculeNet benchmarks demonstrate that learnable representations are powerful tools for molecular machine learning and broadly offer the best performance. However, this result comes with caveats. Learnable representations still struggle to deal with complex tasks under data scarcity and highly imbalanced classification. For quantum mechanical and biophysical datasets, the use of physics-aware featurizations can be more important than choice of particular learning algorithm. PMID:29629118

  11. 78 FR 72064 - Request for Comments on Methods for Studying the Diversity of Patent Applicants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-12-02

    ...] Request for Comments on Methods for Studying the Diversity of Patent Applicants AGENCY: United States... . SUPPLEMENTARY INFORMATION: Section 29 of the AIA charged the Director of the USPTO with ``establish[ing] methods... submit comments on any related issues that they believe are relevant. (1) How and by which methods should...

  12. Electronic structure of uracil-like nucleobases adsorbed on Si(001): uracil, thymine and 5-fluorouracil

    NASA Astrophysics Data System (ADS)

    Molteni, Elena; Onida, Giovanni; Cappellini, Giancarlo

    2016-04-01

    We study the electronic properties of the Si(001):Uracil, Si(001):Thymine, and Si(001):5-Fluorouracil systems, focusing on the Si dimer-bridging configuration with adsorption governed by carbonyl groups. While the overall structural and electronic properties are similar, with small differences due to chemical substitutions, much larger effects on the surface band dispersion and bandgap show up as a function of the molecular orientation with respect to the surface. An off-normal orientation of the molecular planes is favored, showing larger bandgap and lower total energy than the upright position. We also analyze the localization of gap-edge occupied and unoccupied surface states. Supplementary material in the form of one pdf file available from the Journal web page at http://dx.doi.org/10.1140/epjb/e2016-70011-1

  13. 3D morphology of Au and Au@Ag nanobipyramids

    NASA Astrophysics Data System (ADS)

    Burgin, Julien; Florea, Ileana; Majimel, Jérôme; Dobri, Adam; Ersen, Ovidiu; Tréguer-Delapierre, Mona

    2012-02-01

    The morphologies of Au and Au@Ag nanobipyramids were investigated using electron tomography. The 3D reconstruction reveals that the Au bipyramids have an irregular six-fold twinning structure with highly stepped dominant {151} facets. These short steps/edges stabilized via surface adsorbed CTAB favor the growth of silver on the lateral facets leading to strong blue shifts in longitudinal plasmon surface resonance.The morphologies of Au and Au@Ag nanobipyramids were investigated using electron tomography. The 3D reconstruction reveals that the Au bipyramids have an irregular six-fold twinning structure with highly stepped dominant {151} facets. These short steps/edges stabilized via surface adsorbed CTAB favor the growth of silver on the lateral facets leading to strong blue shifts in longitudinal plasmon surface resonance. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr11454b

  14. Investigation of Plasma Processes in Electronic Transition Lasers

    DTIC Science & Technology

    1985-05-30

    Faraday Trans. II (in press) " H . Helvajian and C. Wittig, Appl. Phys. Lett. 38, 731 (1981). "W. L. Nighan, Appl. Phys. Lett. 36, 173 (1980). "D...Press. New York. Helvajian . H .. and Wittig. W. (1981). Appl. Phys. Lett. 38. 731-733. Horiguchi. H .. Chang. R. S. F.. and Setser. D. W, (1981). J...release; distribution unlimited 17. DISTRIBUTION STATEMENT (ot th» mbttraci •nfrtd In Block 30, H dllltrani ttom Rmporl) 18. SUPPLEMENTARY

  15. Microscopic Optical Characterization of Free Standing III-Nitride Substrates, ZnO Bulk Crystals, and III-V Structures for Non-Linear Optics. Part 2

    DTIC Science & Technology

    2010-05-18

    strong radiation hardness of ZnO. Positron annihilation studies have revealed the presence of Zn vacancies under high energy electron irradiation, as...SUPPLEMENTARY NOTES 14. ABSTRACT CL study of ammonothermal GaN crystals. Preliminary results on ammonothermal AlGaN crystals show a clear...prevalence of deep level luminescence Study of the luminescence spectral characteristics. Optimization of the excitonic emission vs deep level emission

  16. Study and Design of a Cylindrical Lens Array Antenna for Wideband Electronic Scanning.

    DTIC Science & Technology

    1983-12-01

    n Block 30, Ii difetren from Report) Same IS. SUPPLEMENTARY NOTES RADC Project Engineer: Peter R. Franchi (RADC/EEAA) 11. KEY WORDS (COntinue on...defined by Rotman and Franchi is studied for contours, phase aberrations, amplitude distortions, and sur- face incidence angles. One form of this lens is...Rotman and Franchi (refs 1, 2, 3). The three-dimensional cylindrical lens comprises a stacked set of identical two-dimensional lenses. Each two

  17. Whole-mount in situ hybridization in the Rotifer Brachionus plicatilis representing a basal branch of lophotrochozoans

    PubMed Central

    Boell, Louis A.

    2008-01-01

    In order to broaden the comparative scope of evolutionary developmental biology and to refine our picture of animal macroevolution, it is necessary to establish new model organisms, especially from previously underrepresented groups, like the Lophotrochozoa. We have established the culture and protocols for molecular developmental biology in the rotifer species Brachionus plicatilis Müller (Rotifera, Monogononta). Rotifers are nonsegmented animals with enigmatic basal position within the lophotrochozoans and marked by several evolutionary novelties like the wheel organ (corona), the median eye, and the nonpaired posterior foot. The expression of Bp-Pax-6 is shown using whole-mount in situ hybridization. The inexpensive easy culture and experimental tractability of Brachionus as well as the range of interesting questions to which it holds the key make it a promising addition to the “zoo” of evo-devo model organisms. Electronic supplementary material The online version of this article (doi:10.1007/s00427-008-0234-z) contains supplementary material, which is available to authorized users. PMID:18594859

  18. Multicriteria mapping of stakeholder preferences in regulating nanotechnology.

    PubMed

    Hansen, Steffen Foss

    2010-08-01

    In order to facilitate stakeholder discussions on how to regulate nanotechnology, the opensource program multicriteria mapping (MCM) was used to structure 26 interviews with stakeholders in the USA. MCM offers a systematic part quantitative, part qualitative approach to clarify why some regulatory options (bans, moratoriums, voluntary measures, etc.) were deemed to be acceptable/unacceptable by various stakeholders and which criteria stakeholders used to evaluate the different regulatory options. Adopting an incremental approach and implementing a new regulatory framework was evaluated as the best options whereas a complete ban and no additional regulation of nanotechnology were found to be the least favorable. Criteria applied differed substantially among stakeholders and included social, ethical, regulatory, environmental, and health issues. Opinions on future regulation seem far less polarized than expected and it seems that stakeholders would welcome a combination of voluntary measures, an incremental approach and forming of a new regulatory framework. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s11051-010-0006-3) contains supplementary material, which is available to authorized users.

  19. Acidithiobacillus thiooxidans secretome containing a newly described lipoprotein Licanantase enhances chalcopyrite bioleaching rate

    PubMed Central

    Bobadilla Fazzini, Roberto A.; Levican, Gloria

    2010-01-01

    The nature of the mineral–bacteria interphase where electron and mass transfer processes occur is a key element of the bioleaching processes of sulfide minerals. This interphase is composed of proteins, metabolites, and other compounds embedded in extracellular polymeric substances mainly consisting of sugars and lipids (Gehrke et al., Appl Environ Microbiol 64(7):2743–2747, 1998). On this respect, despite Acidithiobacilli—a ubiquitous bacterial genera in bioleaching processes (Rawlings, Microb Cell Fact 4(1):13, 2005)—has long been recognized as secreting bacteria (Jones and Starkey, J Bacteriol 82:788–789, 1961; Schaeffer and Umbreit, J Bacteriol 85:492–493, 1963), few studies have been carried out in order to clarify the nature and the role of the secreted protein component: the secretome. This work characterizes for the first time the sulfur (meta)secretome of Acidithiobacillus thiooxidans strain DSM 17318 in pure and mixed cultures with Acidithiobacillus ferrooxidans DSM 16786, identifying the major component of these secreted fractions as a single lipoprotein named here as Licanantase. Bioleaching assays with the addition of Licanantase-enriched concentrated secretome fractions show that this newly found lipoprotein as an active protein additive exerts an increasing effect on chalcopyrite bioleaching rate. Electronic supplementary material The online version of this article (doi:10.1007/s00253-010-3063-8) contains supplementary material, which is available to authorized users. PMID:21191788

  20. Publisher Correction: Resistance to nonribosomal peptide antibiotics mediated by D-stereospecific peptidases.

    PubMed

    Li, Yong-Xin; Zhong, Zheng; Hou, Peng; Zhang, Wei-Peng; Qian, Pei-Yuan

    2018-03-07

    In the version of this article originally published, the links and files for the Supplementary Information, including Supplementary Tables 1-5, Supplementary Figures 1-25, Supplementary Note, Supplementary Datasets 1-4 and the Life Sciences Reporting Summary, were missing in the HTML. The error has been corrected in the HTML version of this article.

  1. Author Correction: Uplift of the central transantarctic mountains.

    PubMed

    Wannamaker, Phil; Hill, Graham; Stodt, John; Maris, Virginie; Ogawa, Yasuo; Selway, Kate; Boren, Goran; Bertrand, Edward; Uhlmann, Daniel; Ayling, Bridget; Green, A Marie; Feucht, Daniel

    2018-02-16

    The original version of this Article incorrectly referenced the Figures in the Supplementary Information. References in the main Article to Supplementary Figure 7 through to Supplementary Figure 20 were previously incorrectly cited as Supplementary Figure 5 through to Supplementary Figure 18, respectively. This has now been corrected in both the PDF and HTML versions of the Article.

  2. 78 FR 13402 - Proposed Collection; Comment Request for Regulation Project

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-02-27

    ... the election not to apply look-back method in de minimis cases. DATES: Written comments should be... . SUPPLEMENTARY INFORMATION: Title: Election Not to Apply Look-Back Method in De Minimis Cases. OMB Number: 1545...), a taxpayer may elect not to apply the look-back method to long-term contracts in de minimis cases...

  3. 77 FR 2741 - Draft Guidance Regarding Inspection and Certification of Vessels Under the Maritime Security Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-01-19

    ... traditional inspection methods to newly reflagged vessels, while at the same time apply a less stringent level... any one of the following methods: (1) Federal eRulemaking Portal: http://www.regulations.gov . (2) Fax... methods. See the ``Public Participation and Request for Comments'' portion of the SUPPLEMENTARY...

  4. LocTree2 predicts localization for all domains of life

    PubMed Central

    Goldberg, Tatyana; Hamp, Tobias; Rost, Burkhard

    2012-01-01

    Motivation: Subcellular localization is one aspect of protein function. Despite advances in high-throughput imaging, localization maps remain incomplete. Several methods accurately predict localization, but many challenges remain to be tackled. Results: In this study, we introduced a framework to predict localization in life's three domains, including globular and membrane proteins (3 classes for archaea; 6 for bacteria and 18 for eukaryota). The resulting method, LocTree2, works well even for protein fragments. It uses a hierarchical system of support vector machines that imitates the cascading mechanism of cellular sorting. The method reaches high levels of sustained performance (eukaryota: Q18=65%, bacteria: Q6=84%). LocTree2 also accurately distinguishes membrane and non-membrane proteins. In our hands, it compared favorably with top methods when tested on new data. Availability: Online through PredictProtein (predictprotein.org); as standalone version at http://www.rostlab.org/services/loctree2. Contact: localization@rostlab.org Supplementary Information: Supplementary data are available at Bioinformatics online. PMID:22962467

  5. Effects of supplementary lighting by natural light for growth of Brassica chinensis

    NASA Astrophysics Data System (ADS)

    Yeh, Shih-Chuan; Lee, Hui-Ping; Kao, Shih-Tse; Lu, Ju-Lin

    2016-04-01

    This paper present a model of cultivated chamber with supplementary natural colour light. We investigate the effects of supplementary natural red light and natural blue light on growth of Brassica chinensis under natural white light illumination. After 4 weeks of supplementary colour light treatment, the experiment results shown that the weight of fresh leaf were not affected by supplementary natural blue light. However, those Brassica chinensis were cultivated in the chambers with supplementary natural red light obtained a significant increasing of fresh weight of leaf under both white light illuminate models. The combination of natural white light with supplementary natural red light illumination will be benefits in growth for cultivation and energy saving.

  6. An electronic specimen collection protocol schema (eSCPS). Document architecture for specimen management and the exchange of specimen collection protocols between biobanking information systems.

    PubMed

    Eminaga, O; Semjonow, A; Oezguer, E; Herden, J; Akbarov, I; Tok, A; Engelmann, U; Wille, S

    2014-01-01

    The integrity of collection protocols in biobanking is essential for a high-quality sample preparation process. However, there is not currently a well-defined universal method for integrating collection protocols in the biobanking information system (BIMS). Therefore, an electronic schema of the collection protocol that is based on Extensible Markup Language (XML) is required to maintain the integrity and enable the exchange of collection protocols. The development and implementation of an electronic specimen collection protocol schema (eSCPS) was performed at two institutions (Muenster and Cologne) in three stages. First, we analyzed the infrastructure that was already established at both the biorepository and the hospital information systems of these institutions and determined the requirements for the sufficient preparation of specimens and documentation. Second, we designed an eSCPS according to these requirements. Finally, a prospective study was conducted to implement and evaluate the novel schema in the current BIMS. We designed an eSCPS that provides all of the relevant information about collection protocols. Ten electronic collection protocols were generated using the supplementary Protocol Editor tool, and these protocols were successfully implemented in the existing BIMS. Moreover, an electronic list of collection protocols for the current studies being performed at each institution was included, new collection protocols were added, and the existing protocols were redesigned to be modifiable. The documentation time was significantly reduced after implementing the eSCPS (5 ± 2 min vs. 7 ± 3 min; p = 0.0002). The eSCPS improves the integrity and facilitates the exchange of specimen collection protocols in the existing open-source BIMS.

  7. An image-based skeletal dosimetry model for the ICRP reference newborn—internal electron sources

    NASA Astrophysics Data System (ADS)

    Pafundi, Deanna; Rajon, Didier; Jokisch, Derek; Lee, Choonsik; Bolch, Wesley

    2010-04-01

    In this study, a comprehensive electron dosimetry model of newborn skeletal tissues is presented. The model is constructed using the University of Florida newborn hybrid phantom of Lee et al (2007 Phys. Med. Biol. 52 3309-33), the newborn skeletal tissue model of Pafundi et al (2009 Phys. Med. Biol. 54 4497-531) and the EGSnrc-based Paired Image Radiation Transport code of Shah et al (2005 J. Nucl. Med. 46 344-53). Target tissues include the active bone marrow (surrogate tissue for hematopoietic stem cells), shallow marrow (surrogate tissue for osteoprogenitor cells) and unossified cartilage (surrogate tissue for chondrocytes). Monoenergetic electron emissions are considered over the energy range 1 keV to 10 MeV for the following source tissues: active marrow, trabecular bone (surfaces and volumes), cortical bone (surfaces and volumes) and cartilage. Transport results are reported as specific absorbed fractions according to the MIRD schema and are given as skeletal-averaged values in the paper with bone-specific values reported in both tabular and graphic format as electronic annexes (supplementary data). The method utilized in this work uniquely includes (1) explicit accounting for the finite size and shape of newborn ossification centers (spongiosa regions), (2) explicit accounting for active and shallow marrow dose from electron emissions in cortical bone as well as sites of unossified cartilage, (3) proper accounting of the distribution of trabecular and cortical volumes and surfaces in the newborn skeleton when considering mineral bone sources and (4) explicit consideration of the marrow cellularity changes for active marrow self-irradiation as applicable to radionuclide therapy of diseased marrow in the newborn child.

  8. A multi-signal fluorescent probe for simultaneously distinguishing and sequentially sensing cysteine/homocysteine, glutathione, and hydrogen sulfide in living cells† †Electronic supplementary information (ESI) available: Experimental details for chemical synthesis of all compounds, chemical structure characterization, supplementary spectra of probe, and fluorescence imaging methods and data. See DOI: 10.1039/c7sc00423k Click here for additional data file.

    PubMed Central

    He, Longwei; Yang, Xueling; Xu, Kaixin; Kong, Xiuqi

    2017-01-01

    Biothiols, which have a close network of generation and metabolic pathways among them, are essential reactive sulfur species (RSS) in the cells and play vital roles in human physiology. However, biothiols possess highly similar chemical structures and properties, resulting in it being an enormous challenge to simultaneously discriminate them from each other. Herein, we develop a unique fluorescent probe (HMN) for not only simultaneously distinguishing Cys/Hcy, GSH, and H2S from each other, but also sequentially sensing Cys/Hcy/GSH and H2S using a multi-channel fluorescence mode for the first time. When responding to the respective biothiols, the robust probe exhibits multiple sets of fluorescence signals at three distinct emission bands (blue-green-red). The new probe can also sense H2S at different concentration levels with changes of fluorescence at the blue and red emission bands. In addition, the novel probe HMN is able to discriminate and sequentially sense biothiols in biological environments via three-color fluorescence imaging. We expect that the development of the robust probe HMN will provide a powerful strategy to design fluorescent probes for the discrimination and sequential detection of biothiols, and offer a promising tool for exploring the interrelated roles of biothiols in various physiological and pathological conditions. PMID:28989659

  9. Quantitative and Qualitative Evaluation of The Structural Designing of Medical Informatics Dynamic Encyclopedia

    PubMed Central

    Safdari, Reza; Shahmoradi, Leila; Hosseini-beheshti, Molouk-sadat; Nejad, Ahmadreza Farzaneh; Hosseiniravandi, Mohammad

    2015-01-01

    Introduction: Encyclopedias and their compilation have become so prevalent as a valid cultural medium in the world. The daily development of computer industry and the expansion of various sciences have made indispensable the compilation of electronic, specialized encyclopedias, especially the web-based ones. Materials and Methods: This is an applied-developmental study conducted in 2014. First, the main terms in the field of medical informatics were gathered using MeSH Online 2014 and the supplementary terms of each were determined, and then the tree diagram of the terms was drawn based on their relationship in MeSH. Based on the studies done by the researchers, the tree diagram of the encyclopedia was drawn with respect to the existing areas in this field, and the terms gathered were put in related domains. Findings: In MeSH, 75 preferred terms together with 249 supplementary ones were indexed. One of the informatics’ sub-branches is biomedical informatics and health which itself consists of three sub-divisions of bioinformatics, clinical informatics, and health informatics. Medical informatics which is a subdivision of clinical informatics has developed from the three fields of medical sciences, management and social sciences, and computational sciences and mathematics. Results and Discussion: Medical Informatics is created of confluence and fusion and applications of the three major scientific branches include health and biological sciences, social sciences and management sciences, computing and mathematical sciences, and according to that the structure of MeSH is weak for future development of Encyclopedia of Medical Informatics. PMID:26635440

  10. Synchronized changes to relative neuron populations in postnatal human neocortical development

    PubMed Central

    Cooper, David L.; Gentle, James E.; Barreto, Ernest

    2010-01-01

    Mammalian prenatal neocortical development is dominated by the synchronized formation of the laminae and migration of neurons. Postnatal development likewise contains “sensitive periods” during which functions such as ocular dominance emerge. Here we introduce a novel neuroinformatics approach to identify and study these periods of active development. Although many aspects of the approach can be used in other studies, some specific techniques were chosen because of a legacy dataset of human histological data (Conel in The postnatal development of the human cerebral cortex, vol 1–8. Harvard University Press, Cambridge, 1939–1967). Our method calculates normalized change vectors from the raw histological data, and then employs k-means cluster analysis of the change vectors to explore the population dynamics of neurons from 37 neocortical areas across eight postnatal developmental stages from birth to 72 months in 54 subjects. We show that the cortical “address” (Brodmann area/sub-area and layer) provides the necessary resolution to segregate neuron population changes into seven correlated “k-clusters” in k-means cluster analysis. The members in each k-cluster share a single change interval where the relative share of the cortex by the members undergoes its maximum change. The maximum change occurs in a different change interval for each k-cluster. Each k-cluster has at least one totally connected maximal “clique” which appears to correspond to cortical function. Electronic supplementary material The online version of this article (doi:10.1007/s11571-010-9103-3) contains supplementary material, which is available to authorized users. PMID:21629587

  11. Infusion fluids contain harmful glucose degradation products

    PubMed Central

    Bryland, Anna; Broman, Marcus; Erixon, Martin; Klarin, Bengt; Lindén, Torbjörn; Friberg, Hans; Wieslander, Anders; Kjellstrand, Per; Ronco, Claudio; Carlsson, Ola

    2010-01-01

    Purpose Glucose degradation products (GDPs) are precursors of advanced glycation end products (AGEs) that cause cellular damage and inflammation. We examined the content of GDPs in commercially available glucose-containing infusion fluids and investigated whether GDPs are found in patients’ blood. Methods The content of GDPs was examined in infusion fluids by high-performance liquid chromatography (HPLC) analysis. To investigate whether GDPs also are found in patients, we included 11 patients who received glucose fluids (standard group) during and after their surgery and 11 control patients receiving buffered saline (control group). Blood samples were analyzed for GDP content and carboxymethyllysine (CML), as a measure of AGE formation. The influence of heat-sterilized fluids on cell viability and cell function upon infection was investigated. Results All investigated fluids contained high concentrations of GDPs, such as 3-deoxyglucosone (3-DG). Serum concentration of 3-DG increased rapidly by a factor of eight in patients receiving standard therapy. Serum CML levels increased significantly and showed linear correlation with the amount of infused 3-DG. There was no increase in serum 3-DG or CML concentrations in the control group. The concentration of GDPs in most of the tested fluids damaged neutrophils, reducing their cytokine secretion, and inhibited microbial killing. Conclusions These findings indicate that normal standard fluid therapy involves unwanted infusion of GDPs. Reduction of the content of GDPs in commonly used infusion fluids may improve cell function, and possibly also organ function, in intensive-care patients. Electronic supplementary material The online version of this article (doi:10.1007/s00134-010-1873-x) contains supplementary material, which is available to authorized users. PMID:20397009

  12. Facile solvothermal synthesis of cube-like Ag@AgCl: a highly efficient visible light photocatalyst

    NASA Astrophysics Data System (ADS)

    Han, Lei; Wang, Ping; Zhu, Chengzhou; Zhai, Yueming; Dong, Shaojun

    2011-07-01

    In this paper, a stable and highly efficient plasmonic photocatalyst, Ag@AgCl, with cube-like morphology, has been successfully prepared via a simple hydrothermal method. Using methylene dichloride as chlorine source in the synthesis can efficiently control the morphology of Ag@AgCl, due to the low release rate of chloride ions. Scanning electron microscopy (SEM), X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and UV-vis diffuse reflectance spectra were used to characterize the obtained product. The photocatalytic activity of the obtained product was evaluated by the photodegradation of methyl orange (MO) under visible light irradiation, and it was found, interestingly, that Ag@AgCl exhibits high visible light photocatalytic activity and good stability.In this paper, a stable and highly efficient plasmonic photocatalyst, Ag@AgCl, with cube-like morphology, has been successfully prepared via a simple hydrothermal method. Using methylene dichloride as chlorine source in the synthesis can efficiently control the morphology of Ag@AgCl, due to the low release rate of chloride ions. Scanning electron microscopy (SEM), X-ray powder diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and UV-vis diffuse reflectance spectra were used to characterize the obtained product. The photocatalytic activity of the obtained product was evaluated by the photodegradation of methyl orange (MO) under visible light irradiation, and it was found, interestingly, that Ag@AgCl exhibits high visible light photocatalytic activity and good stability. Electronic supplementary information (ESI) available: SEM images of the AgCl samples synthesized by changing the addition amount of PVP and AgNO3. See DOI: 10.1039/c1nr10247h

  13. Enhanced charge carrier transport properties in colloidal quantum dot solar cells via organic and inorganic hybrid surface passivation† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ta06835a Click here for additional data file.

    PubMed Central

    Hong, John; Hou, Bo; Lim, Jongchul; Pak, Sangyeon; Kim, Byung-Sung; Cho, Yuljae; Lee, Juwon; Lee, Young-Woo; Giraud, Paul; Lee, Sanghyo; Park, Jong Bae; Morris, Stephen M.; Snaith, Henry J.; Kim, Jong Min

    2016-01-01

    Colloidal quantum dots (CQDs) are extremely promising as photovoltaic materials. In particular, the tunability of their electronic band gap and cost effective synthetic procedures allow for the versatile fabrication of solar energy harvesting cells, resulting in optimal device performance. However, one of the main challenges in developing high performance quantum dot solar cells (QDSCs) is the improvement of the photo-generated charge transport and collection, which is mainly hindered by imperfect surface functionalization, such as the presence of surface electronic trap sites and the initial bulky surface ligands. Therefore, for these reasons, finding effective methods to efficiently decorate the surface of the as-prepared CQDs with new short molecular length chemical structures so as to enhance the performance of QDSCs is highly desirable. Here, we suggest employing hybrid halide ions along with the shortest heterocyclic molecule as a robust passivation structure to eliminate surface trap sites while decreasing the charge trapping dynamics and increasing the charge extraction efficiency in CQD active layers. This hybrid ligand treatment shows a better coordination with Pb atoms within the crystal, resulting in low trap sites and a near perfect removal of the pristine initial bulky ligands, thereby achieving better conductivity and film structure. Compared to halide ion-only treated cells, solar cells fabricated through this hybrid passivation method show an increase in the power conversion efficiency from 5.3% for the halide ion-treated cells to 6.8% for the hybrid-treated solar cells. PMID:29308200

  14. The stabilities and electron structures of Al-Mg clusters with 18 and 20 valence electrons

    NASA Astrophysics Data System (ADS)

    Yang, Huihui; Chen, Hongshan

    2017-07-01

    The spherical jellium model predicts that metal clusters having 18 and 20 valence electrons correspond to the magic numbers and will show specific stabilities. We explore in detail the geometric structures, stabilities and electronic structures of Al-Mg clusters containing 18 and 20 valence electrons by using genetic algorithm combined with density functional theories. The stabilities of the clusters are governed by the electronic configurations and Mg/Al ratios. The clusters with lower Mg/Al ratios are more stable. The molecular orbitals accord with the shell structures predicted by the jellium model but the 2S level interweaves with the 1D levels and the 2S and 1D orbitals form a subgroup. The clusters having 20 valence electrons form closed 1S21P61D102S2 shells and show enhanced stability. The Al-Mg clusters with a valence electron count of 18 do not form closed shells because one 1D orbital is unoccupied. The ionization potential and electron affinity are closely related to the electronic configurations; their values are determined by the subgroups the HOMO or LUMO belong to. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-80042-9

  15. Healthy late preterm infants and supplementary artificial milk feeds: effects on breast feeding and associated clinical parameters.

    PubMed

    Mattsson, Elisabet; Funkquist, Eva-Lotta; Wickström, Maria; Nyqvist, Kerstin H; Volgsten, Helena

    2015-04-01

    to compare the influence of supplementary artificial milk feeds on breast feeding and certain clinical parameters among healthy late preterm infants given regular supplementary artificial milk feeds versus being exclusively breast fed from birth. a comparative study using quantitative methods. Data were collected via a parental diary and medical records. parents of 77 late preterm infants (34 5/7-36 6/7 weeks), whose mothers intended to breast feed, completed a diary during the infants׳ hospital stay. infants who received regular supplementary artificial milk feeds experienced a longer delay before initiation of breast feeding, were breast fed less frequently and had longer hospital stays than infants exclusively breast fed from birth. Exclusively breast-fed infants had a greater weight loss than infants with regular artificial milk supplementation. A majority of the mothers (65%) with an infant prescribed artificial milk never expressed their milk and among the mothers who used a breast-pump, milk expression commenced late (10-84 hours after birth). At discharge, all infants were breast fed to some extent, 43% were exclusively breast fed. clinical practice and routines influence the initiation of breast feeding among late preterm infants and may act as barriers to the mothers׳ establishment of exclusive breast feeding. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Effects of vibratory stimulation-induced kinesthetic illusions on the neural activities of patients with stroke.

    PubMed

    Kodama, Takayuki; Nakano, Hideki; Ohsugi, Hironori; Murata, Shin

    2016-01-01

    [Purpose] This study evaluated the influence of vibratory stimulation-induced kinesthetic illusion on brain function after stroke. [Subjects] Twelve healthy individuals and 13 stroke patients without motor or sensory loss participated. [Methods] Electroencephalograms were taken at rest and during vibratory stimulation. As a neurophysiological index of brain function, we measured the μ-rhythm, which is present mainly in the kinesthetic cortex and is attenuated by movement or motor imagery and compared the data using source localization analyses in the Standardized Low Resolution Brain Electromagnetic Tomography (sLORETA) program. [Results] At rest, μ-rhythms appeared in the sensorimotor and supplementary motor cortices in both healthy controls and stroke patients. Under vibratory stimulation, no μ-rhythm appeared in the sensorimotor cortex of either group. Moreover, in the supplementary motor area, which stores the motor imagery required for kinesthetic illusions, the μ-rhythms of patients were significantly stronger than those of the controls, although the μ-rhythms of both groups were reduced. Thus, differences in neural activity in the supplementary motor area were apparent between the subject groups. [Conclusion] Kinesthetic illusions do occur in patients with motor deficits due to stroke. The neural basis of the supplementary motor area in stroke patients may be functionally different from that found in healthy controls.

  17. Effects of vibratory stimulation-induced kinesthetic illusions on the neural activities of patients with stroke

    PubMed Central

    Kodama, Takayuki; Nakano, Hideki; Ohsugi, Hironori; Murata, Shin

    2016-01-01

    [Purpose] This study evaluated the influence of vibratory stimulation-induced kinesthetic illusion on brain function after stroke. [Subjects] Twelve healthy individuals and 13 stroke patients without motor or sensory loss participated. [Methods] Electroencephalograms were taken at rest and during vibratory stimulation. As a neurophysiological index of brain function, we measured the μ-rhythm, which is present mainly in the kinesthetic cortex and is attenuated by movement or motor imagery and compared the data using source localization analyses in the Standardized Low Resolution Brain Electromagnetic Tomography (sLORETA) program. [Results] At rest, μ-rhythms appeared in the sensorimotor and supplementary motor cortices in both healthy controls and stroke patients. Under vibratory stimulation, no μ-rhythm appeared in the sensorimotor cortex of either group. Moreover, in the supplementary motor area, which stores the motor imagery required for kinesthetic illusions, the μ-rhythms of patients were significantly stronger than those of the controls, although the μ-rhythms of both groups were reduced. Thus, differences in neural activity in the supplementary motor area were apparent between the subject groups. [Conclusion] Kinesthetic illusions do occur in patients with motor deficits due to stroke. The neural basis of the supplementary motor area in stroke patients may be functionally different from that found in healthy controls. PMID:27065525

  18. Usefulness and accuracy of MALDI-TOF mass spectrometry as a supplementary tool to identify mosquito vector species and to invest in development of international database.

    PubMed

    Raharimalala, F N; Andrianinarivomanana, T M; Rakotondrasoa, A; Collard, J M; Boyer, S

    2017-09-01

    Arthropod-borne diseases are important causes of morbidity and mortality. The identification of vector species relies mainly on morphological features and/or molecular biology tools. The first method requires specific technical skills and may result in misidentifications, and the second method is time-consuming and expensive. The aim of the present study is to assess the usefulness and accuracy of matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) as a supplementary tool with which to identify mosquito vector species and to invest in the creation of an international database. A total of 89 specimens belonging to 10 mosquito species were selected for the extraction of proteins from legs and for the establishment of a reference database. A blind test with 123 mosquitoes was performed to validate the MS method. Results showed that: (a) the spectra obtained in the study with a given species differed from the spectra of the same species collected in another country, which highlights the need for an international database; (b) MALDI-TOF MS is an accurate method for the rapid identification of mosquito species that are referenced in a database; (c) MALDI-TOF MS allows the separation of groups or complex species, and (d) laboratory specimens undergo a loss of proteins compared with those isolated in the field. In conclusion, MALDI-TOF MS is a useful supplementary tool for mosquito identification and can help inform vector control. © 2017 The Royal Entomological Society.

  19. Development and Characterization of New Donor-Acceptor Conjugated Polymers and Fullerene Nanoparticles for High Performance Bulk Heterojunction Solar Cells

    DTIC Science & Technology

    2011-01-14

    thieno[3,4-c] pyrrole -4,6-dione (TPD)–based donor–acceptor polymer, PBTTPD, that exhibits high crystallinity and a low-lying highest occupied molecular...release; distribution unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Bithiophene/thieno[3,4-c] pyrrole -4,6-dione (TPD)?based donor?acceptor polymer...nearby fullerene acceptors. The electron-deficient thieno[3,4-c] pyrrole -4,6-dione (TPD) moiety exhibits a symmetric, rigidly fused, coplanar

  20. Effect of Thermomechanical Treatment on the Microstructure and Mechanical Properties of AISI 52100 Steel.

    DTIC Science & Technology

    1981-06-01

    ofJue18 AISI 52100 Steel S. PERFOMING 04G. REOR "idMeRf 7. AUTHOR(e, A. CONTRACT ON GRANT NUmetta~s) Clarence W. Schultz S. P9m1FOMuNGw ORGMSIZATION...SUPPLEMENTARY NOTCS to. 14 IV WORDS (Cominu. -s bree coer It arneemp aE~ndt bay .4*l ONber) 52100 Steel , thermomechanical processing; heat treatment...AISI 52100 steel have been investigated using a canbination of optical and transmission electron microscopy in conjunction with standard mechanical

  1. Traveling Wave Amplifier Driven by a Large Diameter Annular Electron Beam in a Disk-Loaded Structure

    DTIC Science & Technology

    2015-10-30

    IV MARY LOU ROBINSON, DR-IV Project Officer Chief, High Power Electromagnetics Division This report is published in the interest of scientific and...unlimited. 13. SUPPLEMENTARY NOTES OPS-15-9244 14. ABSTRACT This project studies the viability of a high - power traveling wave tube (TWT) using a novel...CHRISTINE codes. Fair agreement was observed. The preliminary conclusion is that the disk-on-rod TWT is a viable, high - power extension to the conventional

  2. Enantioselective cellular localisation of europium(iii) coordination complexes† †Electronic supplementary information (ESI) available: Complex synthesis and characterisation, selected cell images showing correspondence with commercial lysosomal or mitochondrial stains and spectral imaging profiles. See DOI: 10.1039/c7sc04422d

    PubMed Central

    Frawley, Andrew T.; Linford, Holly V.; Starck, Matthieu; Pal, Robert

    2017-01-01

    The selective mitochondrial localisation of the Λ enantiomer of three different emissive europium(iii) complexes in NIH 3T3 and MCF7 cells contrasts with the behaviour of the Δ enantiomer, for which a predominant lysosomal localisation was observed by confocal microscopy. In each case, cell uptake occurs via macropinocytosis. PMID:29675151

  3. Precipitating Auroral Electron Flux Characteristics Based on UV Data Obtained by the AIRS Experiment Onboard the Polar BEAR Satellite

    DTIC Science & Technology

    1992-03-01

    approved for publication. RICHARD EASTES DAVID ANDERSON Contract Manager Branch Chief "" K. VICKERY Division Director This document has been reviewed by...Contract Manager: Richard Eastes/GPIM 11. SUPPLEMENTARY NOTES 12a. DISTRIBUTION /AVAILABILITY STATEMENT 12b. DISTRIBUTION CODE Approved for public...system within this band ( Vallance Jones, 1974) 4.2 Model atmosphere MSIS86 (Hedin, 1987) was used to generate the model atmospheres for our analysis of

  4. Scanning Electron Microscopic Study of In Vitro Toxicity of Ethylene Oxide Sterilized Bone Repair Materials.

    DTIC Science & Technology

    1988-08-15

    16. SUPPLEMENTARY NOTATION To be published in J. of Oral Implantology 17. COSATI CODES 18. SUBJECT TERMS (Continue on reverse if necessary and identify...of Pathology% Physiologyt and Microbiology§ U.S. Army Institute of Dental Research Walter Reed Army Medical Center Washington.D.C. 20307-5300...Correspondence to Col. Theodore Zislis U.S. Army Institute of Dental Research Walter Reed Army Medical Center Washington, D.C. 20307-53C0 Tel. (301) 677-4915

  5. Further study on Physaloptera clausa Rudolphi, 1819 (Spirurida: Physalopteridae) from the Amur hedgehog Erinaceus amurensis Schrenk (Eulipotyphla: Erinaceidae).

    PubMed

    Chen, Hui-Xia; Ju, Hui-Dong; Li, Yang; Li, Liang

    2017-12-20

    In the present study, light and scanning electron microscopy (SEM) were used to further study the detailed morphology of Physaloptera clausa Rudolphi, 1819, based on the material collected from the Amur hedgehog E. amurensis Schrenk in China. The results revealed a few previously unreported morphological features and some morphological and morphometric variability between our specimens and the previous studies. The present supplementary morphological characters and morphometric data could help us to recognize this species more accurately.

  6. Use of Electronic Tag Data and Associated Analytical Tools to Identify and Predict Habitat Utilization of Marine Predators

    DTIC Science & Technology

    2013-09-30

    fin, sperm and humpback whales). RESULTS The tracking data reveal that the California Current Large Marine Ecosystem (CCLME; Supplementary...within 1u31u grid cells. b, Density of large marine predators within the CCLME at a 0.25 º 30.25º resolution. The CCLME is a highly retentive area...sooty shearwaters). The retention with and attraction to the CCLME is consistent with the high productivity of this region that supports large

  7. Impact of speciation on the electron charge transfer properties of nanodiamond drug carriers

    NASA Astrophysics Data System (ADS)

    Sun, Baichuan; Barnard, Amanda S.

    2016-07-01

    Unpassivated diamond nanoparticles (bucky-diamonds) exhibit a unique surface reconstruction involving graphitization of certain crystal facets, giving rise to hybrid core-shell particles containing both aromatic and aliphatic carbon. Considerable effort is directed toward eliminating the aromatic shell, but persistent graphitization of subsequent subsurface-layers makes perdurable purification a challenge. In this study we use some simple statistical methods, in combination with electronic structure simulations, to predict the impact of different fractions of aromatic and aliphatic carbon on the charge transfer properties of the ensembles of bucky-diamonds. By predicting quality factors for a variety of cases, we find that perfect purification is not necessary to preserve selectivity, and there is a clear motivation for purifying samples to improve the sensitivity of charge transfer reactions. This may prove useful in designing drug delivery systems where the release of (selected) drugs needs to be sensitive to specific conditions at the point of delivery.Unpassivated diamond nanoparticles (bucky-diamonds) exhibit a unique surface reconstruction involving graphitization of certain crystal facets, giving rise to hybrid core-shell particles containing both aromatic and aliphatic carbon. Considerable effort is directed toward eliminating the aromatic shell, but persistent graphitization of subsequent subsurface-layers makes perdurable purification a challenge. In this study we use some simple statistical methods, in combination with electronic structure simulations, to predict the impact of different fractions of aromatic and aliphatic carbon on the charge transfer properties of the ensembles of bucky-diamonds. By predicting quality factors for a variety of cases, we find that perfect purification is not necessary to preserve selectivity, and there is a clear motivation for purifying samples to improve the sensitivity of charge transfer reactions. This may prove useful in designing drug delivery systems where the release of (selected) drugs needs to be sensitive to specific conditions at the point of delivery. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr03068h

  8. Supramolecular assemblies of a nitrogen-embedded buckybowl dimer with C60† †Electronic supplementary information (ESI) available. CCDC 1579079 and 1579080. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc04453d

    PubMed Central

    Yokoi, Hiroki; Sakamaki, Daisuke; Seki, Shu

    2017-01-01

    A directly connected azabuckybowl dimer was synthesized via a palladium-catalysed C–H/C–Br coupling. The electron-donating nature of the pyrrolic nitrogen atoms of the azabuckybowl enabled a strong complexation with pristine C60. In the presence of two equivalents of C60, the azabuckybowl dimer formed crystals with a 1 : 2 stoichiometry. Conversely, in diluted solution, complexes with a 1 : 1 stoichiometry of the dimer and C60 were detected predominantly, and these precipitated upon increasing the concentration of C60. Scanning electron microscopy images of the precipitate showed fibre-like aggregates, indicating the formation of supramolecular assemblies with 1D chain structures. A variable-temperature 1H NMR analysis revealed that the precipitate consists of the dimer and C60 in a 1 : 1 ratio. PMID:29629149

  9. 48 CFR 836.576 - Supplementary labor standards provisions.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Supplementary labor... 836.576 Supplementary labor standards provisions. The contracting officer shall insert the clause at 852.236-85, Supplementary labor standards provisions, in solicitations and contracts for construction...

  10. Effects of curing methods and supplementary cementitious material use on freeze thaw durability of concrete containing d-cracking aggregates.

    DOT National Transportation Integrated Search

    2013-12-01

    For concrete pavements in Kansas, the most effective method of increasing their sustainability is to : increase the service life. One of the principle mechanisms of concrete pavement deterioration in Kansas is : freezing and thawing damage. Some Kans...

  11. Effects of curing methods and supplementary cementitious material use on freeze thaw durability of concrete containing d-cracking aggregates : [technical summary].

    DOT National Transportation Integrated Search

    2013-12-01

    For concrete pavements in Kansas, the most effective method of increasing their sustainability is to increase the service life. One of the principle mechanism of concrete pavement deterioration in Kansas is freezing and thawing damage. Some Kansas li...

  12. 76 FR 30432 - Proposed Collection; Comment Request for Form 3115

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-05-25

    ..., Public Law 104-13 (44 U.S.C. 3506(c)(2)(A)). Currently, the IRS is soliciting comments concerning Form 3115, Application for Change in Accounting Method. DATES: Written comments should be received on or....gov . SUPPLEMENTARY INFORMATION: Title: Application for Change in Accounting Method. OMB Number: 1545...

  13. An Artificial Intelligence Tutor: A Supplementary Tool for Teaching and Practicing Braille

    ERIC Educational Resources Information Center

    McCarthy, Tessa; Rosenblum, L. Penny; Johnson, Benny G.; Dittel, Jeffrey; Kearns, Devin M.

    2016-01-01

    Introduction: This study evaluated the usability and effectiveness of an artificial intelligence Braille Tutor designed to supplement the instruction of students with visual impairments as they learned to write braille contractions. Methods: A mixed-methods design was used, which incorporated a single-subject, adapted alternating treatments design…

  14. The photochemical alkylation and reduction of heteroarenes† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc03768f Click here for additional data file.

    PubMed Central

    McCallum, T.; Pitre, S. P.; Morin, M.

    2017-01-01

    The functionalization of heteroarenes has been integral to the structural diversification of medicinally active molecules such as quinolines, pyridines, and phenanthridines. Electron-deficient heteroarenes are electronically compatible to react with relatively nucleophilic free radicals such as hydroxyalkyl. However, the radical functionalization of such heteroarenes has been marked by the use of transition-metal catalyzed processes that require initiators and stoichiometric oxidants. Herein, we describe the photochemical alkylation of quinolines, pyridines and phenanthridines, where through direct excitation of the protonated heterocycle, alcohols and ethers, such as methanol and THF, can serve as alkylating agents. We also report the discovery of a photochemical reduction of these heteroarenes using only iPrOH and HCl. Mechanistic studies to elucidate the underlying mechanism of these transformations, and preliminary results on catalytic methylations are also reported. PMID:29163892

  15. Determination of protonation states of iminosugar–enzyme complexes using photoinduced electron transfer† †Electronic supplementary information (ESI) available: NMR spectra of new compounds, experimental details and Fig. S1–S5 (19 pages). See DOI: 10.1039/c7sc01540b Click here for additional data file.

    PubMed Central

    Wang, Bo; Olsen, Jacob Ingemar; Laursen, Bo W.; Navarro Poulsen, Jens Christian

    2017-01-01

    A series of N-alkylated analogues of 1-deoxynojirimycin containing a fluorescent 10-chloro-9-anthracene group in the N-alkyl substituent were prepared. The anthracene group acted as a reporting group for protonation at the nitrogen in the iminosugar because an unprotonated amine was found to quench fluorescence by photoinduced electron transfer. The new compounds were found to inhibit β-glucosidase from Phanerochaete chrysosporium and α-glucosidase from Aspergillus niger, with K i values in the low micro- to nanomolar range. Fluorescence and inhibition versus pH studies of the β-glucosidase–iminosugar complexes revealed that the amino group in the inhibitor is unprotonated when bound, while one of the active site carboxylates is protonated. PMID:29163889

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

    Palma, Giuseppina; Cozzarini, Luca; Capria, Ennio

    A home-made system for incident photon-to-electron conversion efficiency (IPCE) characterization, based on a double-beam UV-Vis spectrophotometer, has been set up. In addition to its low cost (compared to the commercially available apparatuses), the double-beam configuration gives the advantage to measure, autonomously and with no need for supplementary equipment, the lamp power in real time, compensating possible variations of the spectral emission intensity and quality, thus reducing measurement times. To manage the optical and electronic components of the system, a custom software has been developed. Validations carried out on a common silicon-based photodiode and on a dye-sensitized solar cell confirm themore » possibility to adopt this system for determining the IPCE of solar cells, including dye-sensitized ones.« less

  17. Unified approach to prenylated indole alkaloids: total syntheses of (–)-17-hydroxy-citrinalin B, (+)-stephacidin A, and (+)-notoamide I† †Electronic supplementary information (ESI) available. CCDC 1400755 and 1400756. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc01977j

    PubMed Central

    Mercado-Marin, Eduardo V.

    2015-01-01

    A unified strategy for the synthesis of congeners of the prenylated indole alkaloids is presented. This strategy has yielded the first synthesis of the natural product (–)-17-hydroxy-citrinalin B as well as syntheses of (+)-stephacidin A and (+)-notoamide I. An enolate addition to an in situ generated isocyanate was utilized in forging a key bicyclo[2.2.2]diazaoctane moiety, and in this way connected the two structural classes of the prenylated indole alkaloids through synthesis. PMID:26417428

  18. ThunderSTORM: a comprehensive ImageJ plug-in for PALM and STORM data analysis and super-resolution imaging

    PubMed Central

    Ovesný, Martin; Křížek, Pavel; Borkovec, Josef; Švindrych, Zdeněk; Hagen, Guy M.

    2014-01-01

    Summary: ThunderSTORM is an open-source, interactive and modular plug-in for ImageJ designed for automated processing, analysis and visualization of data acquired by single-molecule localization microscopy methods such as photo-activated localization microscopy and stochastic optical reconstruction microscopy. ThunderSTORM offers an extensive collection of processing and post-processing methods so that users can easily adapt the process of analysis to their data. ThunderSTORM also offers a set of tools for creation of simulated data and quantitative performance evaluation of localization algorithms using Monte Carlo simulations. Availability and implementation: ThunderSTORM and the online documentation are both freely accessible at https://code.google.com/p/thunder-storm/ Contact: guy.hagen@lf1.cuni.cz Supplementary information: Supplementary data are available at Bioinformatics online. PMID:24771516

  19. Systematic parameter estimation in data-rich environments for cell signalling dynamics

    PubMed Central

    Nim, Tri Hieu; Luo, Le; Clément, Marie-Véronique; White, Jacob K.; Tucker-Kellogg, Lisa

    2013-01-01

    Motivation: Computational models of biological signalling networks, based on ordinary differential equations (ODEs), have generated many insights into cellular dynamics, but the model-building process typically requires estimating rate parameters based on experimentally observed concentrations. New proteomic methods can measure concentrations for all molecular species in a pathway; this creates a new opportunity to decompose the optimization of rate parameters. Results: In contrast with conventional parameter estimation methods that minimize the disagreement between simulated and observed concentrations, the SPEDRE method fits spline curves through observed concentration points, estimates derivatives and then matches the derivatives to the production and consumption of each species. This reformulation of the problem permits an extreme decomposition of the high-dimensional optimization into a product of low-dimensional factors, each factor enforcing the equality of one ODE at one time slice. Coarsely discretized solutions to the factors can be computed systematically. Then the discrete solutions are combined using loopy belief propagation, and refined using local optimization. SPEDRE has unique asymptotic behaviour with runtime polynomial in the number of molecules and timepoints, but exponential in the degree of the biochemical network. SPEDRE performance is comparatively evaluated on a novel model of Akt activation dynamics including redox-mediated inactivation of PTEN (phosphatase and tensin homologue). Availability and implementation: Web service, software and supplementary information are available at www.LtkLab.org/SPEDRE Supplementary information: Supplementary data are available at Bioinformatics online. Contact: LisaTK@nus.edu.sg PMID:23426255

  20. Influences of the heme-lysine crosslink in cytochrome P460 over redox catalysis and nitric oxide sensitivity† †Electronic supplementary information (ESI) available: Experimental materials and methods, and supplementary figures and tables. See DOI: 10.1039/c7sc03450d

    PubMed Central

    Vilbert, Avery C.; Caranto, Jonathan D.

    2017-01-01

    Ammonia (NH3)-oxidizing bacteria (AOB) derive total energy for life from the multi-electron oxidation of NH3 to nitrite (NO2–). One obligate intermediate of this metabolism is hydroxylamine (NH2OH), which can be oxidized to the potent greenhouse agent nitrous oxide (N2O) by the AOB enzyme cytochrome (cyt) P460. We have now spectroscopically characterized a 6-coordinate (6c) {FeNO}7 intermediate on the NH2OH oxidation pathway of cyt P460. This species has two fates: it can either be oxidized to the {FeNO}6 that then undergoes attack by NH2OH to ultimately generate N2O, or it can lose its axial His ligand, thus generating a stable, off-pathway 5-coordinate (5c) {FeNO}7 species. We show that the wild type (WT) cyt P460 exhibits a slow nitric oxide (NO)-independent conversion (kHis-off = 2.90 × 10–3 s–1), whereas a cross-link-deficient Lys70Tyr cyt P460 mutant protein underwent His dissociation via both a NO-independent (kHis-off = 3.8 × 10–4 s–1) and a NO-dependent pathway [kHis-off(NO) = 790 M–1 s–1]. Eyring analyses of the NO-independent pathways for these two proteins revealed a significantly larger (ca. 27 cal mol–1 K–1) activation entropy (ΔS‡) in the cross-link-deficient mutant. Our results suggest that the Lys–heme cross-link confers rigidity to the positioning of the heme P460 cofactor to avoid the fast NO-dependent His dissociation pathway and subsequent formation of the off-pathway 5c {FeNO}7 species. The relevance of these findings to NO signaling proteins such as heme-nitric oxide/oxygen binding (H-NOX) is also discussed. PMID:29629106

  1. Micromotors working in water through artificial aerobic metabolism

    NASA Astrophysics Data System (ADS)

    Yamamoto, D.; Takada, T.; Tachibana, M.; Iijima, Y.; Shioi, A.; Yoshikawa, K.

    2015-07-01

    Most catalytic micro/nanomotors that have been developed so far use hydrogen peroxide as fuel, while some use hydrazine. These fuels are difficult to apply because they can cause skin irritation, and often form and store disruptive bubbles. In this paper, we demonstrate a novel catalytic Pt micromotor that does not produce bubbles, and is driven by the oxidation of stable, non-toxic primary alcohols and aldehydes with dissolved oxygen. This use of organic oxidation mirrors living systems, and lends this new motor essentially the same characteristics, including decreased motility in low oxygen environments and the direct isothermal conversion of chemical energy into mechanical energy. Interestingly, the motility direction is reversed by replacing the reducing fuels with hydrogen peroxide. Therefore, these micromotors not only provide a novel system in nanotechnology, but also help in further revealing the underlining mechanisms of motility of living organisms.Most catalytic micro/nanomotors that have been developed so far use hydrogen peroxide as fuel, while some use hydrazine. These fuels are difficult to apply because they can cause skin irritation, and often form and store disruptive bubbles. In this paper, we demonstrate a novel catalytic Pt micromotor that does not produce bubbles, and is driven by the oxidation of stable, non-toxic primary alcohols and aldehydes with dissolved oxygen. This use of organic oxidation mirrors living systems, and lends this new motor essentially the same characteristics, including decreased motility in low oxygen environments and the direct isothermal conversion of chemical energy into mechanical energy. Interestingly, the motility direction is reversed by replacing the reducing fuels with hydrogen peroxide. Therefore, these micromotors not only provide a novel system in nanotechnology, but also help in further revealing the underlining mechanisms of motility of living organisms. Electronic supplementary information (ESI) available: Details of the experimental procedure, supplementary note S1, supplementary Fig. S1 to S5, and supplementary videos S1 to S4. See DOI: 10.1039/c5nr03300d

  2. 40 CFR 152.406 - Submission of supplementary data.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... of supplementary data do not constitute a change in the type of registration action requested. [53 FR... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Submission of supplementary data. 152... supplementary data. Applicants may submit data to supplement pending applications without incurring additional...

  3. 40 CFR 152.406 - Submission of supplementary data.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... of supplementary data do not constitute a change in the type of registration action requested. [53 FR... 40 Protection of Environment 24 2014-07-01 2014-07-01 false Submission of supplementary data. 152... supplementary data. Applicants may submit data to supplement pending applications without incurring additional...

  4. 40 CFR 152.406 - Submission of supplementary data.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... of supplementary data do not constitute a change in the type of registration action requested. [53 FR... 40 Protection of Environment 25 2012-07-01 2012-07-01 false Submission of supplementary data. 152... supplementary data. Applicants may submit data to supplement pending applications without incurring additional...

  5. 40 CFR 152.406 - Submission of supplementary data.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... of supplementary data do not constitute a change in the type of registration action requested. [53 FR... 40 Protection of Environment 25 2013-07-01 2013-07-01 false Submission of supplementary data. 152... supplementary data. Applicants may submit data to supplement pending applications without incurring additional...

  6. 20 CFR 416.2097 - Combined supplementary/SSI payment levels.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Combined supplementary/SSI payment levels... Combined supplementary/SSI payment levels. (a) Other than the level for residents of Medicaid facilities (see paragraph (d) of this section), the combined supplementary/SSI payment level for each payment...

  7. 40 CFR 152.406 - Submission of supplementary data.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 24 2011-07-01 2011-07-01 false Submission of supplementary data. 152... supplementary data. Applicants may submit data to supplement pending applications without incurring additional... of supplementary data do not constitute a change in the type of registration action requested. [53 FR...

  8. The kinetics of chirality assignment in catalytic single-walled carbon nanotube growth and the routes towards selective growth† †Electronic supplementary information (ESI) available: Details of density functional theory (DFT) calculations, definition of interfacial formation energy (IFE), cap formation energy and fitting equation, Fig. S1–S4 and Table S1. See DOI: 10.1039/c7sc04714b

    PubMed Central

    Xu, Ziwei; Qiu, Lu

    2018-01-01

    Depending on its specific structure, or so-called chirality, a single-walled carbon nanotube (SWCNT) can be either a conductor or a semiconductor. This feature ensures great potential for building ∼1 nm sized electronics if chirality-selected SWCNTs could be achieved. However, due to the limited understanding of the growth mechanism of SWCNTs, reliable methods for chirality-selected SWCNTs are still pending. Here we present a theoretical model on the chirality assignment and control of SWCNTs during the catalytic growth. This study reveals that the chirality of a SWCNT is determined by the kinetic incorporation of pentagons, especially the last (6th) one, during the nucleation stage. Our analysis showed that the chirality of a SWCNT is randomly assigned on a liquid or liquid-like catalyst surface, and two routes of synthesizing chirality-selected SWCNTs, which are verified by recent experimental achievements, are demonstrated. They are (i) by using high melting point crystalline catalysts, such as Ta, W, Re, Os, or their alloys, and (ii) by frequently changing the chirality of SWCNTs during their growth. This study paves the way for achieving chirality-selective SWCNT growth for high performance SWCNT based electronics. PMID:29732090

  9. Mechanistic insights into hydroacylation with non-chelating aldehydes†Electronic supplementary information (ESI) available: Materials and methods, reaction procedures, characterization data. CCDC 1012849. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc02026jClick here for additional data file.

    PubMed

    Murphy, Stephen K; Bruch, Achim; Dong, Vy M

    2015-01-01

    The combination of a small-bite-angle diphosphine bis(dicyclohexylphosphino)methane (dcpm) and [Rh(cod)OMe] 2 catalyses the hydroacylation of 2-vinylphenols with a wide range of non-chelating aldehydes. Here we present a detailed experimental study that elucidates the factors contributing to the broad aldehyde scope and high reactivity. A variety of catalytically relevant intermediates were isolated and a [Rh(dcpm)(vinylphenolate)] complex was identified as the major catalytically relevant species. A variety of off-cycle intermediates were also identified that can re-enter the catalytic cycle by substrate- or 1,5-cyclooctadiene-mediated pathways. Saturation kinetics with respect to the 2-vinylphenol were observed, and this may contribute to the high selectivity for hydroacylation over aldehyde decarbonylation. A series of deuterium labelling experiments and Hammett studies support the oxidative addition of Rh to the aldehyde C-H bond as an irreversible and turnover-limiting step. The small bite angle of dcpm is crucial for lowering the barrier of this step and providing excellent reactivity with a variety of aldehydes.

  10. Gel-based morphological design of zirconium metal–organic frameworks† †Electronic supplementary information (ESI) available: Optical microscopy, PDF TGA, Hg intrusion, nanoindentation, gels of various Zr-MOFs, oil-drop process. See DOI: 10.1039/c6sc05602d Click here for additional data file.

    PubMed Central

    Bueken, Bart; Van Velthoven, Niels; Willhammar, Tom; Stassin, Timothée; Stassen, Ivo; Keen, David A.; Baron, Gino V.; Denayer, Joeri F. M.; Ameloot, Rob; Bals, Sara

    2017-01-01

    The ability of metal–organic frameworks (MOFs) to gelate under specific synthetic conditions opens up new opportunities in the preparation and shaping of hierarchically porous MOF monoliths, which could be directly implemented for catalytic and adsorptive applications. In this work, we present the first examples of xero- or aerogel monoliths consisting solely of nanoparticles of several prototypical Zr4+-based MOFs: UiO-66-X (X = H, NH2, NO2, (OH)2), UiO-67, MOF-801, MOF-808 and NU-1000. High reactant and water concentrations during synthesis were observed to induce the formation of gels, which were converted to monolithic materials by drying in air or supercritical CO2. Electron microscopy, combined with N2 physisorption experiments, was used to show that irregular nanoparticle packing leads to pure MOF monoliths with hierarchical pore systems, featuring both intraparticle micropores and interparticle mesopores. Finally, UiO-66 gels were shaped into monolithic spheres of 600 μm diameter using an oil-drop method, creating promising candidates for packed-bed catalytic or adsorptive applications, where hierarchical pore systems can greatly mitigate mass transfer limitations. PMID:28553536

  11. Carbon dioxide hydrogenation catalysed by well-defined Mn(i) PNP pincer hydride complexes† †Electronic supplementary information (ESI) available: Experimental procedures, NMR and IR spectra, atomic coordinates for DFT optimized structures and computational details, and crystallographic data for 2. CCDC 1520528. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc00209b Click here for additional data file. Click here for additional data file.

    PubMed Central

    Bertini, Federica; Glatz, Mathias; Gorgas, Nikolaus; Stöger, Berthold; Peruzzini, Maurizio; Veiros, Luis F.

    2017-01-01

    The catalytic reduction of carbon dioxide is of great interest for its potential as a hydrogen storage method and to use carbon dioxide as C-1 feedstock. In an effort to replace expensive noble metal-based catalysts with efficient and cheap earth-abundant counterparts, we report the first example of Mn(i)-catalysed hydrogenation of CO2 to HCOOH. The hydride Mn(i) catalyst [Mn(PNPNH-iPr)(H)(CO)2] showed higher stability and activity than its Fe(ii) analogue. TONs up to 10 000 and quantitative yields were obtained after 24 h using DBU as the base at 80 °C and 80 bar total pressure. At catalyst loadings as low as 0.002 mol%, TONs greater than 30 000 could be achieved in the presence of LiOTf as the co-catalyst, which are among the highest activities reported for base-metal catalysed CO2 hydrogenations to date. PMID:28970889

  12. The Great Boundary Crossing: Perceptions on Training Pharmacists as Supplementary Prescribers in the UK

    ERIC Educational Resources Information Center

    Tann, Jennifer; Blenkinsopp, Alison; Grime, Janet; Evans, Amanda

    2010-01-01

    Objective: To explore the perceptions of General Medical Practitioners and pharmacist supplementary prescribers of the training provided for qualification as a pharmacist supplementary prescriber, and the experience of pharmacist supplementary prescribers of subsequent continuing professional development in practice. Design: A qualitative study of…

  13. Author Correction: Biochemical phosphates observed using hyperpolarized 31P in physiological aqueous solutions.

    PubMed

    Nardi-Schreiber, Atara; Gamliel, Ayelet; Harris, Talia; Sapir, Gal; Sosna, Jacob; Gomori, J Moshe; Katz-Brull, Rachel

    2018-05-22

    The original version of the Supplementary Information associated with this Article contained an error in Supplementary Figure 2 and Supplementary Figure 5 in which the 31 P NMR spectral lines were missing. The HTML has been updated to include a corrected version of the Supplementary Information.

  14. 15 CFR 2.7 - Supplementary regulations.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 15 Commerce and Foreign Trade 1 2011-01-01 2011-01-01 false Supplementary regulations. 2.7 Section... SETTLEMENT OF CLAIMS UNDER THE FEDERAL TORT CLAIMS ACT § 2.7 Supplementary regulations. (a) The Assistant General Counsel for Finance and Litigation may from time to time issue such supplementary regulations or...

  15. 34 CFR 300.42 - Supplementary aids and services.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 34 Education 2 2013-07-01 2013-07-01 false Supplementary aids and services. 300.42 Section 300.42... CHILDREN WITH DISABILITIES General Definitions Used in This Part § 300.42 Supplementary aids and services. Supplementary aids and services means aids, services, and other supports that are provided in regular education...

  16. 34 CFR 300.42 - Supplementary aids and services.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 34 Education 2 2012-07-01 2012-07-01 false Supplementary aids and services. 300.42 Section 300.42... CHILDREN WITH DISABILITIES General Definitions Used in This Part § 300.42 Supplementary aids and services. Supplementary aids and services means aids, services, and other supports that are provided in regular education...

  17. 34 CFR 300.42 - Supplementary aids and services.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 34 Education 2 2014-07-01 2013-07-01 true Supplementary aids and services. 300.42 Section 300.42... CHILDREN WITH DISABILITIES General Definitions Used in This Part § 300.42 Supplementary aids and services. Supplementary aids and services means aids, services, and other supports that are provided in regular education...

  18. 20 CFR 416.2098 - Supplementary payment levels.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false Supplementary payment levels. 416.2098... Supplementary payment levels. (a) General. For the purpose of determining the combined supplementary/SSI payment levels described in § 416.2097(a) (i.e., the levels that must be provided in any month after March 1983...

  19. Heuristics for connectivity-based brain parcellation of SMA/pre-SMA through force-directed graph layout.

    PubMed

    Crippa, Alessandro; Cerliani, Leonardo; Nanetti, Luca; Roerdink, Jos B T M

    2011-02-01

    We propose the use of force-directed graph layout as an explorative tool for connectivity-based brain parcellation studies. The method can be used as a heuristic to find the number of clusters intrinsically present in the data (if any) and to investigate their organisation. It provides an intuitive representation of the structure of the data and facilitates interactive exploration of properties of single seed voxels as well as relations among (groups of) voxels. We validate the method on synthetic data sets and we investigate the changes in connectivity in the supplementary motor cortex, a brain region whose parcellation has been previously investigated via connectivity studies. This region is supposed to present two easily distinguishable connectivity patterns, putatively denoted by SMA (supplementary motor area) and pre-SMA. Our method provides insights with respect to the connectivity patterns of the premotor cortex. These present a substantial variation among subjects, and their subdivision into two well-separated clusters is not always straightforward. Copyright © 2010 Elsevier Inc. All rights reserved.

  20. Nanopipettes: probes for local sample analysis† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc00668f Click here for additional data file.

    PubMed Central

    Saha-Shah, Anumita; Weber, Anna E.; Karty, Jonathan A.; Ray, Steven J.; Hieftje, Gary M.

    2015-01-01

    Nanopipettes (pipettes with diameters <1 μm) were explored as pressure-driven fluid manipulation tools for sampling nanoliter volumes of fluids. The fundamental behavior of fluids confined in the narrow channels of the nanopipette shank was studied to optimize sampling volume and probe geometry. This method was utilized to collect nanoliter volumes (<10 nL) of sample from single Allium cepa cells and live Drosophila melanogaster first instar larvae. Matrix assisted laser desorption/ionization-mass spectrometry (MALDI-MS) was utilized to characterize the collected sample. The use of nanopipettes for surface sampling of mouse brain tissue sections was also explored. Lipid analyses were performed on mouse brain tissues with spatial resolution of sampling as small as 50 μm. Nanopipettes were shown to be a versatile tool that will find further application in studies of sample heterogeneity and population analysis for a wide range of samples. PMID:28706697

  1. Iron-catalyzed urea synthesis: dehydrogenative coupling of methanol and amines† †Electronic supplementary information (ESI) available: Experimental details, characterization data, and select NMR spectra. See DOI: 10.1039/c8sc00775f

    PubMed Central

    Lane, Elizabeth M.; Hazari, Nilay

    2018-01-01

    Substituted ureas have numerous applications but their synthesis typically requires the use of highly toxic starting materials. Herein we describe the first base-metal catalyst for the selective synthesis of symmetric ureas via the dehydrogenative coupling of methanol with primary amines. Using a pincer supported iron catalyst, a range of ureas was generated with isolated yields of up to 80% (corresponding to a catalytic turnover of up to 160) and with H2 as the sole byproduct. Mechanistic studies indicate a stepwise pathway beginning with methanol dehydrogenation to give formaldehyde, which is trapped by amine to afford a formamide. The formamide is then dehydrogenated to produce a transient isocyanate, which reacts with another equivalent of amine to form a urea. These mechanistic insights enabled the development of an iron-catalyzed method for the synthesis of unsymmetric ureas from amides and amines. PMID:29780531

  2. Asymmetric supercapacitors with high energy density based on helical hierarchical porous NaxMnO2 and MoO2 † †Electronic supplementary information (ESI) available. See DOI: 10.1039/c5sc03326h Click here for additional data file.

    PubMed Central

    Lu, Xue-Feng; Huang, Zhi-Xiang; Tong, Ye-Xiang

    2016-01-01

    Helical hierarchical porous NaxMnO2/CC and MoO2/CC, which are assembled from nanosheets and nanoparticles, respectively, are fabricated using a simple electrodeposition method. These unique helical porous structures enable electrodes to have a high capacitance and an outstanding cycling performance. Based on the helical NaxMnO2/CC as the positive electrodes and helical MoO2/CC as the negative electrodes, high performance NaxMnO2/CC//MoO2/CC asymmetric supercapacitors (ASCs) are successfully assembled, and they achieve a maximum volume C sp of 2.04 F cm–3 and a maximum energy density of 0.92 mW h cm–3 for the whole device and an excellent cycling stability with 97.22% C sp retention after 6000 cycles. PMID:28791103

  3. Discrete Cu(i) complexes for azide–alkyne annulations of small molecules inside mammalian cells† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04643j

    PubMed Central

    Miguel-Ávila, Joan; Tomás-Gamasa, María; Olmos, Andrea

    2018-01-01

    The archetype reaction of “click” chemistry, namely, the copper-promoted azide–alkyne cycloaddition (CuAAC), has found an impressive number of applications in biological chemistry. However, methods for promoting intermolecular annulations of exogenous, small azides and alkynes in the complex interior of mammalian cells, are essentially unknown. Herein we demonstrate that isolated, well-defined copper(i)–tris(triazolyl) complexes featuring designed ligands can readily enter mammalian cells and promote intracellular CuAAC annulations of small, freely diffusible molecules. In addition to simplifying protocols and avoiding the addition of “non-innocent” reductants, the use of these premade copper complexes leads to more efficient processes than with the alternative, in situ made copper species prepared from Cu(ii) sources, tris(triazole) ligands and sodium ascorbate. Under the reaction conditions, the well-defined copper complexes exhibit very good cell penetration properties, and do not present significant toxicities. PMID:29675241

  4. Thermal Stability and Flammability of Styrene-Butadiene Rubber-Based (SBR) Ceramifiable Composites

    PubMed Central

    Anyszka, Rafał; Bieliński, Dariusz M.; Pędzich, Zbigniew; Rybiński, Przemysław; Imiela, Mateusz; Siciński, Mariusz; Zarzecka-Napierała, Magdalena; Gozdek, Tomasz; Rutkowski, Paweł

    2016-01-01

    Ceramifiable styrene-butadiene (SBR)-based composites containing low-softening-point-temperature glassy frit promoting ceramification, precipitated silica, one of four thermally stable refractory fillers (halloysite, calcined kaolin, mica or wollastonite) and a sulfur-based curing system were prepared. Kinetics of vulcanization and basic mechanical properties were analyzed and added as Supplementary Materials. Combustibility of the composites was measured by means of cone calorimetry. Their thermal properties were analyzed by means of thermogravimetry and specific heat capacity determination. Activation energy of thermal decomposition was calculated using the Flynn-Wall-Ozawa method. Finally, compression strength of the composites after ceramification was measured and their micromorphology was studied by scanning electron microscopy. The addition of a ceramification-facilitating system resulted in the lowering of combustibility and significant improvement of the thermal stability of the composites. Moreover, the compression strength of the mineral structure formed after ceramification is considerably high. The most promising refractory fillers for SBR-based ceramifiable composites are mica and halloysite. PMID:28773726

  5. Surveying the Views of Pupils Attending Supplementary Schools in England

    ERIC Educational Resources Information Center

    Strand, Steve

    2007-01-01

    Background: Supplementary schooling broadly refers to extra schooling organized by and for particular ethnic groups outside of mainstream provision. Purpose: This is the first study to systematically explore the attitudes of pupils attending supplementary schools in England and the largest ever UK study of supplementary schools and their pupils.…

  6. Forest Soil Disturbance Monitoring Protocol: Volume II: Supplementary methods, statistics, and data collection

    Treesearch

    Deborah S. Page-Dumroese; Ann M. Abbott; Thomas M. Rice

    2009-01-01

    Volume I and volume II of the Forest Soil Disturbance Monitoring Protocol (FSDMP) provide information for a wide range of users, including technicians, field crew leaders, private landowners, land managers, forest professionals, and researchers. Volume I: Rapid Assessment includes the basic methods for establishing forest soil monitoring transects and consistently...

  7. 77 FR 20070 - Biweekly Notice of Applications and Amendments to Facility Operating Licenses and Combined...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-04-03

    ... Docket ID 2012-0078. You may submit comments by the following methods: Federal Rulemaking Web site: Go to.... SUPPLEMENTARY INFORMATION: I. Accessing Information and Submitting Comments A. Accessing Information Please... publicly available, by the following methods: Federal Rulemaking Web Site: Go to http://www.regulations.gov...

  8. 76 FR 56136 - Lead-Based Paint Renovation, Repair and Painting, and Pre-Renovation Education Activities in...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-09-12

    ... instructions for each method as provided in Section I of the SUPPLEMENTARY INFORMATION. To ensure proper..., by one of the following methods: 1. http://www.regulations.gov : Follow the on-line instructions for... teach renovation classes, that individuals performing renovation activities are properly trained and...

  9. 2010 Lead (Pb) Air Monitoring Requirements & 2013 Method for Determination of Lead (Pb) in Total Suspended Particulate Matter Fact Sheets

    EPA Pesticide Factsheets

    This page contains a variety of fact sheets and other documents that are supplementary to the 2010 final revisions to lead (Pb) ambient air monitoring requirements and the 2013 final method for determination of Pb in total suspended particulate matter.

  10. Apical extrusion of debris by supplementary files used for retreatment: An ex vivo comparative study

    PubMed Central

    Pawar, Ajinkya M.; Pawar, Mansing; Metzger, Zvi; Thakur, Bhagyashree

    2016-01-01

    Aim: This study evaluated whether using supplementary files for removing root canal filling residues after ProTaper Universal Retreatment files (RFs) increased the debris extrusion apically. Materials and Methods: Eighty mandibular premolars with single root and canal were instrumented with ProTaper Universal rotary system (SX-F3) and obturated. The samples were divided randomly into four groups (n = 20). Group 1 served as a control; only ProTaper Universal RFs D1–D3 were used, and the extruded debris was weighed. Groups 2, 3, and 4 were the experimental groups, receiving a twofold retreatment protocol: Removal of the bulk, followed by the use of supplementary files. The bulk was removed by RFs, followed by the use of ProTaper NEXT (PTN), WaveOne (WO), and Self-Adjusting File (SAF) for removal of the remaining root filling residues. Debris extruded apically were weighed and compared to the control group. Statistical analysis was performed using one-way analysis of variance (ANOVA) and post hoc Tukey's test. Results: All the three experimental groups presented significant difference (P < .01). The post hoc Tukey's test confirmed that Group 4 (SAF) exhibited significantly less (P < .01) debris extrusion between the three groups tested. Conclusion: SAF results in less extrusion of debris when used as supplementary file to remove root-filling residues, compared to WO and PTN. PMID:27099416

  11. Multiple-rule bias in the comparison of classification rules

    PubMed Central

    Yousefi, Mohammadmahdi R.; Hua, Jianping; Dougherty, Edward R.

    2011-01-01

    Motivation: There is growing discussion in the bioinformatics community concerning overoptimism of reported results. Two approaches contributing to overoptimism in classification are (i) the reporting of results on datasets for which a proposed classification rule performs well and (ii) the comparison of multiple classification rules on a single dataset that purports to show the advantage of a certain rule. Results: This article provides a careful probabilistic analysis of the second issue and the ‘multiple-rule bias’, resulting from choosing a classification rule having minimum estimated error on the dataset. It quantifies this bias corresponding to estimating the expected true error of the classification rule possessing minimum estimated error and it characterizes the bias from estimating the true comparative advantage of the chosen classification rule relative to the others by the estimated comparative advantage on the dataset. The analysis is applied to both synthetic and real data using a number of classification rules and error estimators. Availability: We have implemented in C code the synthetic data distribution model, classification rules, feature selection routines and error estimation methods. The code for multiple-rule analysis is implemented in MATLAB. The source code is available at http://gsp.tamu.edu/Publications/supplementary/yousefi11a/. Supplementary simulation results are also included. Contact: edward@ece.tamu.edu Supplementary Information: Supplementary data are available at Bioinformatics online. PMID:21546390

  12. The Comparative Experimental Study of Multilabel Classification for Diagnosis Assistant Based on Chinese Obstetric EMRs

    PubMed Central

    Zhang, Kunli; Zhao, Yueshu; Zan, Hongying; Zhuang, Lei

    2018-01-01

    Obstetric electronic medical records (EMRs) contain massive amounts of medical data and health information. The information extraction and diagnosis assistants of obstetric EMRs are of great significance in improving the fertility level of the population. The admitting diagnosis in the first course record of the EMR is reasoned from various sources, such as chief complaints, auxiliary examinations, and physical examinations. This paper treats the diagnosis assistant as a multilabel classification task based on the analyses of obstetric EMRs. The latent Dirichlet allocation (LDA) topic and the word vector are used as features and the four multilabel classification methods, BP-MLL (backpropagation multilabel learning), RAkEL (RAndom k labELsets), MLkNN (multilabel k-nearest neighbor), and CC (chain classifier), are utilized to build the diagnosis assistant models. Experimental results conducted on real cases show that the BP-MLL achieves the best performance with an average precision up to 0.7413 ± 0.0100 when the number of label sets and the word dimensions are 71 and 100, respectively. The result of the diagnosis assistant can be introduced as a supplementary learning method for medical students. Additionally, the method can be used not only for obstetric EMRs but also for other medical records. PMID:29666671

  13. Advanced Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure

    DTIC Science & Technology

    2017-01-05

    AFRL-AFOSR-JP-TR-2017-0002 Advanced Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure Manabu...Computational Methods for Optimization of Non-Periodic Inspection Intervals for Aging Infrastructure 5a.  CONTRACT NUMBER 5b.  GRANT NUMBER FA2386...UNLIMITED: PB Public Release 13. SUPPLEMENTARY NOTES 14. ABSTRACT This report for the project titled ’Advanced Computational Methods for Optimization of

  14. The Herbivore-Induced Plant Volatile Methyl Salicylate Negatively Affects Attraction of the Parasitoid Diadegma semiclausum

    PubMed Central

    Mumm, Roland; Poelman, Erik H.; Yang, Yue; Pichersky, Eran; Dicke, Marcel

    2010-01-01

    The indirect defense mechanisms of plants comprise the production of herbivore-induced plant volatiles that can attract natural enemies of plant attackers. One of the often emitted compounds after herbivory is methyl salicylate (MeSA). Here, we studied the importance of this caterpillar-induced compound in the attraction of the parasitoid wasp Diadegma semiclausum by using a mutant Arabidopsis line. Pieris rapae infested AtBSMT1-KO mutant Arabidopsis plants, compromised in the biosynthesis of MeSA, were more attractive to parasitoids than infested wild-type plants. This suggests that the presence of MeSA has negative effects on parasitoid host-finding behavior when exposed to wild-type production of herbivore-induced Arabidopsis volatiles. Furthermore, in line with this, we recorded a positive correlation between MeSA dose and repellence of D. semiclausum when supplementing the headspace of caterpillar-infested AtBSMT1-KO plants with synthetic MeSA. Electronic supplementary material The online version of this article (doi:10.1007/s10886-010-9787-1) contains supplementary material, which is available to authorized users. PMID:20407809

  15. Cellular uptake and trafficking of polydiacetylene micelles

    NASA Astrophysics Data System (ADS)

    Gravel, Edmond; Thézé, Benoit; Jacques, Isabelle; Anilkumar, Parambath; Gombert, Karine; Ducongé, Frédéric; Doris, Eric

    2013-02-01

    Polydiacetylene (PDA) micelles coated with either carboxylate-, ammonium-, or methoxy-polyethyleneglycol (PEG) chains were assembled and loaded with a fluorescent dye (DiO). Their interaction with MCF-7 human breast tumor cells was investigated by epi-fluorescence microscopy and fluorescence-activated cell sorting (FACS) to determine their internalization pathway and intracellular fate. It was found that the ionic character of the micelles influenced their internalization kinetics through a caveolae-mediated pathway and that all micelle types behaved somewhat similarly inside cells.Polydiacetylene (PDA) micelles coated with either carboxylate-, ammonium-, or methoxy-polyethyleneglycol (PEG) chains were assembled and loaded with a fluorescent dye (DiO). Their interaction with MCF-7 human breast tumor cells was investigated by epi-fluorescence microscopy and fluorescence-activated cell sorting (FACS) to determine their internalization pathway and intracellular fate. It was found that the ionic character of the micelles influenced their internalization kinetics through a caveolae-mediated pathway and that all micelle types behaved somewhat similarly inside cells. Electronic supplementary information (ESI) available: Detailed synthetic procedures and supplementary figures. See DOI: 10.1039/c2nr34149b

  16. Firearm Retailers’ Willingness to Participate in an Illegal Gun Purchase

    PubMed Central

    2010-01-01

    Firearm-related violence is a significant public health and public safety problem for cities in the USA, and licensed firearm retailers are an important source of the guns used in that violence. Using a scripted telephone interview, we screened a sample of licensed retailers in California to assess their willingness to participate in the surrogate or “straw” purchase of a handgun; such purchases are illegal under federal law. Of 149 retailers who provided a response, 30 (20.1%) agreed to participate. In multivariate analysis, pawnbrokers were more likely to agree than were gun dealers (odds ratio 6.58, 95% confidence interval 1.99–21.71). Sales of handguns that were later subjected to ownership tracing (a proxy measure for a gun’s use in crime) were not more frequent among retailers who agreed to participate than among others, and other findings were unexpected as well. Electronic supplementary material The online version of this article (doi:10.1007/s11524-010-9489-6) contains supplementary material, which is available to authorized users. PMID:20803095

  17. Preservation of large-scale chromatin structure in FISH experiments

    PubMed Central

    Hepperger, Claudia; Otten, Simone; von Hase, Johann

    2006-01-01

    The nuclear organization of specific endogenous chromatin regions can be investigated only by fluorescence in situ hybridization (FISH). One of the two fixation procedures is typically applied: (1) buffered formaldehyde or (2) hypotonic shock with methanol acetic acid fixation followed by dropping of nuclei on glass slides and air drying. In this study, we compared the effects of these two procedures and some variations on nuclear morphology and on FISH signals. We analyzed mouse erythroleukemia and mouse embryonic stem cells because their clusters of subcentromeric heterochromatin provide an easy means to assess preservation of chromatin. Qualitative and quantitative analyses revealed that formaldehyde fixation provided good preservation of large-scale chromatin structures, while classical methanol acetic acid fixation after hypotonic treatment severely impaired nuclear shape and led to disruption of chromosome territories, heterochromatin structures, and large transgene arrays. Our data show that such preparations do not faithfully reflect in vivo nuclear architecture. Electronic supplementary material Supplementary material is available in the online version of this article at http://dx.doi.org/10.1007/s00412-006-0084-2 and is accessible for authorized users. PMID:17119992

  18. A thermal control approach for a solar electric propulsion thrust subsystem

    NASA Technical Reports Server (NTRS)

    Maloy, J. E.; Oglebay, J. C.

    1979-01-01

    A thrust subsystem thermal control design is defined for a Solar Electric Propulsion System (SEPS) proposed for the comet Halley Flyby/comet Tempel 2 rendezvous mission. A 114 node analytic model, developed and coded on the systems improved numerical differencing analyzer program, was employed. A description of the resulting thrust subsystem thermal design is presented as well as a description of the analytic model and comparisons of the predicted temperature profiles for various SEPS thermal configurations that were generated using this model. It was concluded that: (1) a BIMOD engine system thermal design can be autonomous; (2) an independent thrust subsystem thermal design is feasible; (3) the interface module electronics temperatures can be controlled by a passive radiator and supplementary heaters; (4) maintaining heat pipes above the freezing point would require an additional 322 watts of supplementary heating power for the situation where no thrusters are operating; (5) insulation is required around the power processors, and between the interface module and the avionics module, as well as in those areas which may be subjected to solar heating; and (6) insulation behind the heat pipe radiators is not necessary.

  19. Attractiveness of a Four-component Pheromone Blend to Male Navel Orangeworm Moths

    PubMed Central

    Kanno, Hiroo; Kuenen, L. P. S.; Klingler, Kimberly A.; Millar, Jocelyn G.

    2010-01-01

    The attractiveness to male navel orangeworm moth, Amyelois transitella, of various combinations of a four-component pheromone blend was measured in wind-tunnel bioassays. Upwind flight along the pheromone plume and landing on the odor source required the simultaneous presence of two components, (11Z,13Z)-hexadecadienal and (3Z,6Z,9Z,12Z,15Z)-tricosapentaene, and the addition of either (11Z,13Z)-hexadecadien-1-ol or (11Z,13E)-hexadecadien-1-ol. A mixture of all four components produced the highest levels of rapid source location and source contact. In wind-tunnel assays, males did not seem to distinguish among a wide range of ratios of any of the three components added to (11Z,13Z)-hexadecadienal. Dosages of 10 and 100 ng of the 4-component blend produced higher levels of source location than dosages of 1 and 1,000 ng. Electronic supplementary material The online version of this article (doi:10.1007/s10886-010-9799-x) contains supplementary material, which is available to authorized users. PMID:20473710

  20. Inference of alternative splicing from RNA-Seq data with probabilistic splice graphs

    PubMed Central

    LeGault, Laura H.; Dewey, Colin N.

    2013-01-01

    Motivation: Alternative splicing and other processes that allow for different transcripts to be derived from the same gene are significant forces in the eukaryotic cell. RNA-Seq is a promising technology for analyzing alternative transcripts, as it does not require prior knowledge of transcript structures or genome sequences. However, analysis of RNA-Seq data in the presence of genes with large numbers of alternative transcripts is currently challenging due to efficiency, identifiability and representation issues. Results: We present RNA-Seq models and associated inference algorithms based on the concept of probabilistic splice graphs, which alleviate these issues. We prove that our models are often identifiable and demonstrate that our inference methods for quantification and differential processing detection are efficient and accurate. Availability: Software implementing our methods is available at http://deweylab.biostat.wisc.edu/psginfer. Contact: cdewey@biostat.wisc.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:23846746

  1. HHsvm: fast and accurate classification of profile–profile matches identified by HHsearch

    PubMed Central

    Dlakić, Mensur

    2009-01-01

    Motivation: Recently developed profile–profile methods rival structural comparisons in their ability to detect homology between distantly related proteins. Despite this tremendous progress, many genuine relationships between protein families cannot be recognized as comparisons of their profiles result in scores that are statistically insignificant. Results: Using known evolutionary relationships among protein superfamilies in SCOP database, support vector machines were trained on four sets of discriminatory features derived from the output of HHsearch. Upon validation, it was shown that the automatic classification of all profile–profile matches was superior to fixed threshold-based annotation in terms of sensitivity and specificity. The effectiveness of this approach was demonstrated by annotating several domains of unknown function from the Pfam database. Availability: Programs and scripts implementing the methods described in this manuscript are freely available from http://hhsvm.dlakiclab.org/. Contact: mdlakic@montana.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:19773335

  2. Space-confined fabrication of silver nanodendrites and their enhanced SERS activity

    NASA Astrophysics Data System (ADS)

    Wang, Shuqi; Xu, Li-Ping; Wen, Yongqiang; Du, Hongwu; Wang, Shutao; Zhang, Xueji

    2013-05-01

    Here we report a controllable method based on electrodeposition to fabricate Ag nanodendrites (NDs) on a microwell patterned electrode. The microwell patterns on the ITO electrode are fabricated via the microcontact printing technique. By varying the microwell size and electrodeposition time, the morphology of metal deposits on the microwell patterned ITO electrode can be tuned from boulders to dendrites. At the edge of the microwells, the current density was strengthened, which incurs rapid nucleation. The nucleus develops into dendrites because of Mullins-Sekerka instability. However, only boulders were observed at the center of microwells. By reducing the size of the microwells, only NDs were fabricated due to the edge effect. On the basis of understanding the underlying mechanism for dendritic growth in a confined space, our method is used for fabricating other noble metal (Au, Pt) nanodendrites. The controllable synthesis of Au and Pt NDs indicates the universality of this method. Compared with Ag film obtained from electron beam evaporation, the as-prepared Ag NDs exhibit highly enhanced surface-enhanced Raman scattering (SERS) sensitivity when they are used to detect rhodamine 6G (R6G). This approach provides a very controllable, reliable and general way for space-confined fabricating the noble metal nanodendrite arrays which show great promise in catalysis, sensing, biomedicine, electronic and magnetic devices.Here we report a controllable method based on electrodeposition to fabricate Ag nanodendrites (NDs) on a microwell patterned electrode. The microwell patterns on the ITO electrode are fabricated via the microcontact printing technique. By varying the microwell size and electrodeposition time, the morphology of metal deposits on the microwell patterned ITO electrode can be tuned from boulders to dendrites. At the edge of the microwells, the current density was strengthened, which incurs rapid nucleation. The nucleus develops into dendrites because of Mullins-Sekerka instability. However, only boulders were observed at the center of microwells. By reducing the size of the microwells, only NDs were fabricated due to the edge effect. On the basis of understanding the underlying mechanism for dendritic growth in a confined space, our method is used for fabricating other noble metal (Au, Pt) nanodendrites. The controllable synthesis of Au and Pt NDs indicates the universality of this method. Compared with Ag film obtained from electron beam evaporation, the as-prepared Ag NDs exhibit highly enhanced surface-enhanced Raman scattering (SERS) sensitivity when they are used to detect rhodamine 6G (R6G). This approach provides a very controllable, reliable and general way for space-confined fabricating the noble metal nanodendrite arrays which show great promise in catalysis, sensing, biomedicine, electronic and magnetic devices. Electronic supplementary information (ESI) available: SEM images. See DOI: 10.1039/c3nr00313b

  3. Clinical Decision Support Tools for Osteoporosis Disease Management: A Systematic Review of Randomized Controlled Trials

    PubMed Central

    Straus, Sharon E.

    2008-01-01

    BACKGROUND Studies indicate a gap between evidence and clinical practice in osteoporosis management. Tools that facilitate clinical decision making at the point of care are promising strategies for closing these practice gaps. OBJECTIVE To systematically review the literature to identify and describe the effectiveness of tools that support clinical decision making in osteoporosis disease management. DATA SOURCES Medline, EMBASE, CINAHL, and EBM Reviews (CDSR, DARE, CCTR, and ACP J Club), and contact with experts in the field. REVIEW METHODS Randomized controlled trials (RCTs) in any language from 1966 to July 2006 investigating disease management interventions in patients at risk for osteoporosis. Outcomes included fractures and bone mineral density (BMD) testing. Two investigators independently assessed articles for relevance and study quality, and extracted data using standardized forms. RESULTS Of 1,246 citations that were screened for relevance, 13 RCTs met the inclusion criteria. Reported study quality was generally poor. Meta-analysis was not done because of methodological and clinical heterogeneity; 77% of studies included a reminder or education as a component of their intervention. Three studies of reminders plus education targeted to physicians and patients showed increased BMD testing (RR range 1.43 to 8.67) and osteoporosis medication use (RR range 1.60 to 8.67). A physician reminder plus a patient risk assessment strategy found reduced fractures [RR 0.58, 95% confidence interval (CI) 0.37 to 0.90] and increased osteoporosis therapy (RR 2.44, CI 1.43 to 4.17). CONCLUSION Multi-component tools that are targeted to physicians and patients may be effective for supporting clinical decision making in osteoporosis disease management. Electronic supplementary material The online version of this article (doi:10.1007/s11606-008-0812-9) contains supplementary material, which is available to authorized users. PMID:18836782

  4. Experimental validation of the influence of white matter anisotropy on the intracranial EEG forward solution

    PubMed Central

    Schomer, Donald L.; Dehghani, Nima; Ulbert, Istvan; Cash, Sydney; Papavasiliou, Steve; Eisenberg, Solomon R.; Dale, Anders M.; Halgren, Eric

    2010-01-01

    Forward solutions with different levels of complexity are employed for localization of current generators, which are responsible for the electric and magnetic fields measured from the human brain. The influence of brain anisotropy on the forward solution is poorly understood. The goal of this study is to validate an anisotropic model for the intracranial electric forward solution by comparing with the directly measured ‘gold standard’. Dipolar sources are created at known locations in the brain and intracranial electroencephalogram (EEG) is recorded simultaneously. Isotropic models with increasing level of complexity are generated along with anisotropic models based on Diffusion tensor imaging (DTI). A Finite Element Method based forward solution is calculated and validated using the measured data. Major findings are (1) An anisotropic model with a linear scaling between the eigenvalues of the electrical conductivity tensor and water self-diffusion tensor in brain tissue is validated. The greatest improvement was obtained when the stimulation site is close to a region of high anisotropy. The model with a global anisotropic ratio of 10:1 between the eigenvalues (parallel: tangential to the fiber direction) has the worst performance of all the anisotropic models. (2) Inclusion of cerebrospinal fluid as well as brain anisotropy in the forward model is necessary for an accurate description of the electric field inside the skull. The results indicate that an anisotropic model based on the DTI can be constructed non-invasively and shows an improved performance when compared to the isotropic models for the calculation of the intracranial EEG forward solution. Electronic supplementary material The online version of this article (doi:10.1007/s10827-009-0205-z) contains supplementary material, which is available to authorized users. PMID:20063051

  5. Anthropometry, carbohydrate and lipid metabolism in the East Flanders Prospective Twin Survey: heritabilities

    PubMed Central

    Souren, N. Y.; Loos, R. J. F.; Gielen, M.; Beunen, G.; Fagard, R.; Derom, C.; Vlietinck, R.; Zeegers, M. P.

    2007-01-01

    Aims/hypothesis We determined the genetic contribution of 18 anthropometric and metabolic risk factors of type 2 diabetes using a young healthy twin population. Methods Traits were measured in 240 monozygotic (MZ) and 138 dizygotic (DZ) twin pairs aged 18 to 34 years. Twins were recruited from the Belgian population-based East Flanders Prospective Twin Survey, which is characterised by its accurate zygosity determination and extensive collection of perinatal and placental data, including information on chorionicity. Heritability was estimated using structural equation modelling implemented in the Mx software package. Results Intra-pair correlations of the anthropometric and metabolic characteristics did not differ between MZ monochorionic and MZ dichorionic pairs; consequently heritabilities were estimated using the classical twin approach. For body mass, BMI and fat mass, quantitative sex differences were observed; genetic variance explained 84, 85 and 81% of the total variation in men and 74, 75 and 70% in women, respectively. Heritability estimates of the waist-to-hip ratio, sum of four skinfold thicknesses and lean body mass were 70, 74 and 81%, respectively. The heritability estimates of fasting glucose, fasting insulin, homeostasis model assessment of insulin resistance and beta cell function, as well as insulin-like growth factor binding protein-1 levels were 67, 49, 48, 62 and 47%, in that order. Finally, for total cholesterol, LDL-cholesterol, HDL-cholesterol, total cholesterol:HDL-cholesterol ratio, triacylglycerol, NEFA and leptin levels, genetic factors explained 75, 78, 76, 79, 58, 37 and 53% of the total variation, respectively. Conclusions/interpretation Genetic factors explain the greater part of the variation in traits related to obesity, glucose intolerance/insulin resistance and dyslipidaemia. Electronic supplementary material The online version of this article (doi:10.1007/s00125-007-0784-z) contains supplementary material, which is available to authorised users. PMID:17694296

  6. Simultaneous viscosity and density measurement of small volumes of liquids using a vibrating microcantilever† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6an02674e Click here for additional data file.

    PubMed Central

    Payam, A. F.; Trewby, W.

    2017-01-01

    Many industrial and technological applications require precise determination of the viscosity and density of liquids. Such measurements can be time consuming and often require sampling substantial amounts of the liquid. These problems can partly be overcome with the use of microcantilevers but most existing methods depend on the specific geometry and properties of the cantilever, which renders simple, accurate measurement difficult. Here we present a new approach able to simultaneously quantify both the density and the viscosity of microliters of liquids. The method, based solely on the measurement of two characteristic frequencies of an immersed microcantilever, is completely independent of the choice of a cantilever. We derive analytical expressions for the liquid's density and viscosity and validate our approach with several simple liquids and different cantilevers. Application of our model to non-Newtonian fluids shows that the calculated viscosities are remarkably robust when compared to measurements obtained from a standard rheometer. However, the results become increasingly dependent on the cantilever geometry as the frequency-dependent nature of the liquid's viscosity becomes more significant. PMID:28352874

  7. Crack Healing Performance of PVA-Coated Granules Made of Cement, CSA, and Na2CO3 in the Cement Matrix

    PubMed Central

    Lee, Yong-Soo; Ryou, Jae-Suk

    2016-01-01

    Various self-healing methods for concrete, such as the use of supplementary cementitious materials, adhesive agents, mineral admixtures, and bacteria, have been suggested to date, and each of these has merits and demerits. Among these, however, the use of cementitious materials may be appropriate due to their good healing efficiency, low cost, and compatibility with the cement matrix. In this study, granulation and coating methods were applied to a new cementitious composite material. The self-healing property of these materials was controlled by the polyvinyl alcohol (PVA) coating until cracks were created. Water dissolved the PVA coating after entering through the cracks, and reacted with the healing materials to generate healing products. The self-healing performance was evaluated at various elapsed times through the measurement of the crack widths, visual observation, and examination of the microscopic images. Simultaneously, a water permeability test was performed and the dynamic modulus of elasticity was measured to verify the recovery of the cracks. In addition, the healing products that had been formed in the cracks were analyzed via X-ray diffraction (XRD) and scanning electron microscopy (SEM). PMID:28773677

  8. Crack Healing Performance of PVA-Coated Granules Made of Cement, CSA, and Na₂CO₃ in the Cement Matrix.

    PubMed

    Lee, Yong-Soo; Ryou, Jae-Suk

    2016-07-09

    Various self-healing methods for concrete, such as the use of supplementary cementitious materials, adhesive agents, mineral admixtures, and bacteria, have been suggested to date, and each of these has merits and demerits. Among these, however, the use of cementitious materials may be appropriate due to their good healing efficiency, low cost, and compatibility with the cement matrix. In this study, granulation and coating methods were applied to a new cementitious composite material. The self-healing property of these materials was controlled by the polyvinyl alcohol (PVA) coating until cracks were created. Water dissolved the PVA coating after entering through the cracks, and reacted with the healing materials to generate healing products. The self-healing performance was evaluated at various elapsed times through the measurement of the crack widths, visual observation, and examination of the microscopic images. Simultaneously, a water permeability test was performed and the dynamic modulus of elasticity was measured to verify the recovery of the cracks. In addition, the healing products that had been formed in the cracks were analyzed via X-ray diffraction (XRD) and scanning electron microscopy (SEM).

  9. Polymorphism at 129 dictates metastable conformations of the human prion protein N-terminal β-sheet† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc03275c Click here for additional data file.

    PubMed Central

    Paz, S. Alexis; Vanden-Eijnden, Eric

    2017-01-01

    We study the thermodynamic stability of the native state of the human prion protein using a new free-energy method, replica-exchange on-the-fly parameterization. This method is designed to overcome hidden-variable sampling limitations to yield nearly error-free free-energy profiles along a conformational coordinate. We confirm that all four (M129V, D178N) polymorphs have a ground-state conformation with three intact β-sheet hydrogen bonds. Additionally, they are observed to have distinct metastabilities determined by the side-chain at position 129. We rationalize these findings with reference to the prion “strain” hypothesis, which links the variety of transmissible spongiform encephalopathy phenotypes to conformationally distinct infectious prion forms and classifies distinct phenotypes of sporadic Creutzfeldt-Jakob disease based solely on the 129 polymorphism. Because such metastable structures are not easily observed in structural experiments, our approach could potentially provide new insights into the conformational origins of prion diseases and other pathologies arising from protein misfolding and aggregation. PMID:28451263

  10. 1-Dimensional AgVO3 nanowires hybrid with 2-dimensional graphene nanosheets to create 3-dimensional composite aerogels and their improved electrochemical properties

    NASA Astrophysics Data System (ADS)

    Liang, Liying; Xu, Yimeng; Lei, Yong; Liu, Haimei

    2014-03-01

    Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability.Three-dimensional (3D) porous composite aerogels have been synthesized via an innovative in situ hydrothermal method assisted by a freeze-drying process. In this hybrid structure, one-dimensional (1D) AgVO3 nanowires are uniformly dispersed on two-dimensional (2D) graphene nanosheet surfaces and/or are penetrated through the graphene sheets, forming 3D porous composite aerogels. As cathode materials for lithium-ion batteries, the composite aerogels exhibit high discharge capacity, excellent rate capability, and good cycling stability. Electronic supplementary information (ESI) available: Preparation, characterization, SEM images, XRD patterns, and XPS of AgVO3/GAs. See DOI: 10.1039/c3nr06899d

  11. Modified nucleoside triphosphates exist in mammals† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc05472f

    PubMed Central

    Jiang, Han-Peng; Xiong, Jun; Liu, Fei-Long; Ma, Cheng-Jie; Tang, Xing-Lin; Feng, Yu-Qi

    2018-01-01

    DNA and RNA contain diverse chemical modifications that exert important influences in a variety of cellular processes. In addition to enzyme-mediated modifications of DNA and RNA, previous in vitro studies showed that pre-modified nucleoside triphosphates (NTPs) can be incorporated into DNA and RNA during replication and transcription. Herein, we established a chemical labeling method in combination with liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) analysis for the determination of endogenous NTPs in the mammalian cells and tissues. We synthesized 8-(diazomethyl)quinoline (8-DMQ) that could efficiently react with the phosphate group under mild condition to label NTPs. The developed method allowed sensitive detection of NTPs, with the detection limits improved by 56–137 folds. The results showed that 12 types of endogenous modified NTPs were distinctly determined in the mammalian cells and tissues. In addition, the majority of these modified NTPs exhibited significantly decreased contents in human hepatocellular carcinoma (HCC) tissues compared to tumor-adjacent normal tissues. Taken together, our study revealed the widespread existence of various modified NTPs in eukaryotes. PMID:29780546

  12. Facile synthesis of hierarchical dendritic PtPd nanogarlands supported on reduced graphene oxide with enhanced electrocatalytic properties

    NASA Astrophysics Data System (ADS)

    Li, Shan-Shan; Zheng, Jie-Ning; Ma, Xiaohong; Hu, Yuan-Yuan; Wang, Ai-Jun; Chen, Jian-Rong; Feng, Jiu-Ju

    2014-05-01

    A simple and facile method is developed for one-pot preparation of hierarchical dendritic PtPd nanogarlands supported on reduced graphene oxide (PtPd/RGO) at room temperature, without using any seed, organic solvent, or complex apparatus. It is found that octylphenoxypolyethoxyethanol (NP-40) as a soft template and its amount are critical to the formation of PtPd garlands. The as-prepared nanocomposites are further applied to methanol and ethanol oxidation with significantly enhanced electrocatalytic activity and better stability in alkaline media.A simple and facile method is developed for one-pot preparation of hierarchical dendritic PtPd nanogarlands supported on reduced graphene oxide (PtPd/RGO) at room temperature, without using any seed, organic solvent, or complex apparatus. It is found that octylphenoxypolyethoxyethanol (NP-40) as a soft template and its amount are critical to the formation of PtPd garlands. The as-prepared nanocomposites are further applied to methanol and ethanol oxidation with significantly enhanced electrocatalytic activity and better stability in alkaline media. Electronic supplementary information (ESI) available: Experimental section, Fig. S1-S12 and Tables S1 and S2. See DOI: 10.1039/c3nr06808k

  13. Effects of additional team-based learning on students' clinical reasoning skills: a pilot study.

    PubMed

    Jost, Meike; Brüstle, Peter; Giesler, Marianne; Rijntjes, Michel; Brich, Jochen

    2017-07-14

    In the field of Neurology good clinical reasoning skills are essential for successful diagnosing and treatment. Team-based learning (TBL), an active learning and small group instructional strategy, is a promising method for fostering these skills. The aim of this pilot study was to examine the effects of a supplementary TBL-class on students' clinical decision-making skills. Fourth- and fifth-year medical students participated in this pilot study (static-group comparison design). The non-treatment group (n = 15) did not receive any additional training beyond regular teaching in the neurology course. The treatment group (n = 11) took part in a supplementary TBL-class optimized for teaching clinical reasoning in addition to the regular teaching in the neurology course. Clinical decision making skills were assessed using a key-feature problem examination. Factual and conceptual knowledge was assessed by a multiple-choice question examination. The TBL-group performed significantly better than the non-TBL-group (p = 0.026) in the key-feature problem examination. No significant differences between the results of the multiple-choice question examination of both groups were found. In this pilot study participants of a supplementary TBL-class significantly improved clinical decision-making skills, indicating that TBL may be an appropriate method for teaching clinical decision making in neurology. Further research is needed for replication in larger groups and other clinical fields.

  14. Tools4miRs – one place to gather all the tools for miRNA analysis

    PubMed Central

    Lukasik, Anna; Wójcikowski, Maciej; Zielenkiewicz, Piotr

    2016-01-01

    Summary: MiRNAs are short, non-coding molecules that negatively regulate gene expression and thereby play several important roles in living organisms. Dozens of computational methods for miRNA-related research have been developed, which greatly differ in various aspects. The substantial availability of difficult-to-compare approaches makes it challenging for the user to select a proper tool and prompts the need for a solution that will collect and categorize all the methods. Here, we present tools4miRs, the first platform that gathers currently more than 160 methods for broadly defined miRNA analysis. The collected tools are classified into several general and more detailed categories in which the users can additionally filter the available methods according to their specific research needs, capabilities and preferences. Tools4miRs is also a web-based target prediction meta-server that incorporates user-designated target prediction methods into the analysis of user-provided data. Availability and Implementation: Tools4miRs is implemented in Python using Django and is freely available at tools4mirs.org. Contact: piotr@ibb.waw.pl Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27153626

  15. A home-made system for IPCE measurement of standard and dye-sensitized solar cells.

    PubMed

    Palma, Giuseppina; Cozzarini, Luca; Capria, Ennio; Fraleoni-Morgera, Alessandro

    2015-01-01

    A home-made system for incident photon-to-electron conversion efficiency (IPCE) characterization, based on a double-beam UV-Vis spectrophotometer, has been set up. In addition to its low cost (compared to the commercially available apparatuses), the double-beam configuration gives the advantage to measure, autonomously and with no need for supplementary equipment, the lamp power in real time, compensating possible variations of the spectral emission intensity and quality, thus reducing measurement times. To manage the optical and electronic components of the system, a custom software has been developed. Validations carried out on a common silicon-based photodiode and on a dye-sensitized solar cell confirm the possibility to adopt this system for determining the IPCE of solar cells, including dye-sensitized ones.

  16. Persistent four-coordinate iron-centered radical stabilized by π-donation† †Electronic supplementary information (ESI) available: Experimental, crystallographic, computational details, and crystal data for 2, 4, 5 and 8. CCDC 1057111–1057113 and 1425703. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02601f Click here for additional data file. Click here for additional data file.

    PubMed Central

    Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo

    2016-01-01

    Dinuclear iron carbonyl complex 2, which contains an elongated unsupported Fe–Fe bond, was synthesized by the reaction between Fe2(CO)9 and phosphinyl radical 1. Thermal Fe–Fe bond homolysis led to the generation of a four-coordinate carbonyl-based iron-centered radical, 3, which is stabilized by π-donation. Complex 3 exhibited high reactivity toward organic radicals to form diamagnetic five-coordinate Fe(ii) complexes. PMID:28758000

  17. Redox-promoted associative assembly of metal–organic materials† †Electronic supplementary information (ESI) available: Experimental procedures, compound characterization data, and X-ray crystallographic data for compounds 3–7 and 9–11. CCDC 1405641–1405645, 1429643, 1405647 and 1405648. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc02214b Click here for additional data file. Click here for additional data file.

    PubMed Central

    Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.

    2016-01-01

    We develop an associative synthesis of metal–organic materials that combines solid-state metal oxidation and coordination-driven self-assembly into a one-step, waste-free transformation. The methodology hinges on the unique reactivity of ortho-quinones, which we introduce as versatile oxidants for mechanochemical synthesis. Our strategy opens a previously unexplored route to paramagnetic metal–organic materials from elementary metals. PMID:28791114

  18. Organocatalytic, enantioselective synthesis of benzoxaboroles via Wittig/oxa-Michael reaction Cascade of α-formyl boronic acids† †Electronic supplementary information (ESI) available. CCDC 1487136. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc04522g Click here for additional data file. Click here for additional data file.

    PubMed Central

    Hazra, Gurupada; Maity, Sanjay; Bhowmick, Sudipto

    2017-01-01

    An unprecedented enantioselective synthesis of 3-substituted benzoxaboroles has been developed. An in situ generated ortho-boronic acid containing chalcone provides the chiral benzoxaboroles via an asymmetric oxa-Michael addition of hydroxyl group attached to the boronic acid triggered by the cinchona alkaloid based chiral amino-squaramide catalysts. In general, good yields with good to excellent enantioselectivities (up to 99%) were obtained. The resulting benzoxaboroles were converted to the corresponding chiral β-hydroxy ketones without affecting the enantioselectivity. PMID:28451370

  19. Modular chiral gold(i) phosphite complexes†Electronic supplementary information (ESI) available: Experimental results and NMR data. CCDC 933751 (L11(AuCl)), 933752 (L12(AuCl)a), 933753 (L9(AuCl)), 933754 (L10(AuCl)), 933756 (L8(AuCl)), 933757 (L12(AuCl)e). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3cy00250kClick here for additional data file.Click here for additional data file.

    PubMed

    Delpont, Nicolas; Escofet, Imma; Pérez-Galán, Patricia; Spiegl, Dirk; Raducan, Mihai; Bour, Christophe; Sinisi, Riccardo; Echavarren, Antonio M

    2013-10-07

    Chiral gold(i) phosphite complexes are readily prepared modularly from 3,3'-bis(triphenylsilyl)-1,1'-bi-2-naphthol. These chiral gold(i) phosphite complexes are very reactive precatalysts for the [4+2] cycloaddition of aryl-substituted 1,6-enynes with enantiomeric ratios ranging from 86 : 14 up to 94 : 6.

  20. Hydrogen gas storage in fluorinated ultramicroporous tunnel crystal

    NASA Astrophysics Data System (ADS)

    Kataoka, Keisuke; Katagiri, Toshimasa

    2012-07-01

    We report hydrogen storage at an ordinary pressure due to a bottle-neck effect of an ultramicroporous crystal. Stored hydrogen was kept at an ordinary pressure below -110 °C. The amounts of stored hydrogen gas linearly correlated with the initial pressures. These phenomena suggested the ultramicroporous tunnels worked as a molecular gas cylinder.We report hydrogen storage at an ordinary pressure due to a bottle-neck effect of an ultramicroporous crystal. Stored hydrogen was kept at an ordinary pressure below -110 °C. The amounts of stored hydrogen gas linearly correlated with the initial pressures. These phenomena suggested the ultramicroporous tunnels worked as a molecular gas cylinder. Electronic supplementary information (ESI) available. CCDC 246922. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c2nr30940h

  1. Structure elucidation of nigricanoside A through enantioselective total synthesis† †Electronic supplementary information (ESI) available: Complete experimental details and characterization data. See DOI: 10.1039/c5sc00281h Click here for additional data file.

    PubMed Central

    Chen, Jie; Koswatta, Panduka; DeBergh, J. Robb; Fu, Peng; Pan, Ende

    2015-01-01

    Nigricanoside A was isolated from green alga, and its dimethyl ester was found to display potent cytotoxicity. Its scarcity prevented a full structure elucidation, leaving total synthesis as the only means to determine its relative and absolute stereochemistry and to explore its biological activity. Here we assign the stereochemistry of the natural product through enantioselective total synthesis and provide initial studies of its cytotoxicity. PMID:26877863

  2. Modular synthesis of thiazoline and thiazole derivatives by using a cascade protocol† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7ra05993k

    PubMed Central

    Alsharif, Zakeyah A.

    2017-01-01

    Thiazolines and thiazoles are an integral part of numerous natural products, a number of drugs, and many useful molecules such as ligands for metal catalysis. We report the first common synthetic protocol for the synthesis of thiazoles and thiazolines. Novel molecules are efficiently synthesized by using readily available and inexpensive substrates. The reaction conditions are mild and pure products are obtained without work-up and column purification. PMID:29170713

  3. Intelligence/Electronic Warfare (IEW) Direction-Finding and Fix Estimation Analysis Report. Volume 2. Trailblazer

    DTIC Science & Technology

    1985-12-20

    Report) Approved for Public Disemination I 17. DISTRIBUTION STATEMENT (of the abstract entered In Block 20, It different from Report) I1. SUPPLEMENTARY...Continue an riverl. aid. It neceseary ind Idoni..•y by block number) Fix Estimation Statistical Assumptions, Error Budget, Unnodclcd Errors, Coding...llgedl i t Eh’ fI) t r !". 1 I ’ " r, tl 1: a Icr it h m hc ro ,, ] y zcd arc Csedil other Current TIV! Sysem ’ he report examines the underlying

  4. Prevention of iron deficiency in preterm neonates during infancy.

    PubMed

    Heese, H D; Smith, S; Watermeyer, S; Dempster, W S; Jakubiec, L

    1990-04-07

    The preterm infant inevitably develops iron deficiency unless supplementary iron is given. Oral iron supplementation is preferred in ideal social circumstances but, where compliance with such therapy is uncertain, intramuscular iron dextran may be a more effective treatment. A study was conducted to compare the effectiveness of two methods of preventing iron deficiency of prematurity. One group of healthy premature infants was given oral iron 2 mg/kg/d until the age of 6 months. The second similar group was given 100 mg as intramuscular iron dextran (Imferon; Fisons) between the ages of 6 and 8 weeks. Both kinds of supplementary iron appeared to have benefited the majority of infants in this trial.

  5. Microfermentation Test For Identification Of Yeast

    NASA Technical Reports Server (NTRS)

    Pierson, D. L.; Mishra, S. K.; Molina, Thomas C.

    1995-01-01

    Microfermentation test developed as supplementary method for use in identifying yeasts, especially in clinical and environmental studies. In comparison with traditional fermentation tests, simpler and easier, and requiries less equipment, material, and laboratory space. Results obtained in days instead of weeks.

  6. Aerial Remote Radio Frequency Identification System for Small Vessel Monitoring

    DTIC Science & Technology

    2009-12-01

    Assessment Methods , Ocean Studies Board, Commission on Geosciences, Environment, and Resources, National Research Council. (1998). Improving fish stock... Research Council (NRC). (2006). Review of recreational fisheries survey methods . Washington, DC: The National Academies Press. NOAA Fisheries. (1996...MONITORING AGENCY NAME(S) AND ADDRESS(ES) Acquisition Research Program 10. SPONSORING/MONITORING AGENCY REPORT NUMBER 11. SUPPLEMENTARY NOTES The

  7. 77 FR 37283 - Airworthiness Directives; Turbomeca S.A. Turboshaft Engines

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-06-21

    ... INFORMATION CONTACT: Rose Len, Aerospace Engineer, Engine Certification Office, FAA, Engine & Propeller...; email: rose[email protected] . SUPPLEMENTARY INFORMATION: Discussion We issued a notice of proposed... air commerce by prescribing regulations for practices, methods, and procedures the Administrator finds...

  8. A general method to correct PET data for tissue metabolites using a dual-scan approach.

    PubMed

    Gunn, R N; Yap, J T; Wells, P; Osman, S; Price, P; Jones, T; Cunningham, V J

    2000-04-01

    This article presents and analyses a general method of correcting for the presence of radiolabeled metabolites from a parent radiotracer in tissue during PET scanning. The method is based on a dual-scan approach, i.e., parent scan together with an independent supplementary scan in which the radiolabeled metabolite of interest itself is administered. The method corrects for the presence of systemically derived radiolabeled metabolite delivered to the tissues of interest through the blood. Data from the supplementary scan are analyzed to obtain the tissue impulse response function for the metabolite. The time course of the radiolabeled metabolite in plasma in the parent scan is convolved with its tissue impulse response function to derive a correction term. This is not a simple subtraction technique but 1 that takes account of the different time-activity curves of the radiolabeled metabolite in the 2 scans. The method, its implications, and its limitations are discussed with respect to [11C]thymidine and its principal metabolite 11CO2. The general method, based on a dual-scan approach, can be used to correct for radiolabeled metabolites in tissues of interest during PET scanning. The correction accounts for radiolabeled metabolites that are derived systemically and delivered to the tissues of interest through the blood.

  9. Thermodynamic analysis of a new conception of supplementary firing in a combined cycle

    NASA Astrophysics Data System (ADS)

    Kotowicz, Janusz; Bartela, Łukasz; Balicki, Adrian

    2010-10-01

    The paper analyzes a new concept of integration of combined cycle with the installation of supplementary firing. The whole system was enclosed by thermodynamic analysis, which consists of a gas-steam unit with triple-pressure heat recovery steam generator. The system uses a determined model of the gas turbine and the assumptions relating to the construction features of steam-water part were made. The proposed conception involves building of supplementary firing installation only on part of the exhaust stream leaving the gas turbine. In the proposed solution superheater was divided into two sections, one of which was located on the exhaust gases leaving the installation of supplementary firing. The paper presents the results of the analyses of which the main aim was to demonstrate the superiority of the new thermodynamic concept of the supplementary firing over the classical one. For this purpose a model of a system was built, in which it was possible to carry out simulations of the gradual transition from a classically understood supplementary firing to the supplementary firing completely modified. For building of a model the GateCycle™ software was used.

  10. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s† †Electronic supplementary information (ESI) available. CCDC 1483959–1483967. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc02520j Click here for additional data file. Click here for additional data file.

    PubMed Central

    Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.

    2016-01-01

    A Cu-catalyzed benzannulation reaction transforms ortho(arylene ethynylene) oligomers into ortho-arylenes. This approach circumvents iterative Suzuki cross-coupling reactions previously used to assemble hindered ortho-arylene backbones. These derivatives form helical folded structures in the solid-state and in solution, as demonstrated by X-ray crystallography and solution-state NMR analysis. DFT calculations of misfolded conformations are correlated with variable-temperature 1H and EXSY NMR to reveal that folding is cooperative and more favorable in halide-substituted naphthalenes. Helical ortho-arylene foldamers with specific aromatic sequences organize functional π-electron systems into arrangements ideal for ambipolar charge transport and show preliminary promise for the surface-mediated synthesis of structurally defined graphene nanoribbons. PMID:28567248

  11. Non-covalent S···O interactions control conformation in a scaffold that disrupts islet amyloid polypeptide fibrillation† †Electronic supplementary information (ESI) available: Experimental procedures; 1H, 13C and NOESY spectra; HRMS, and IR values. CCDC 1453550 (24), ThT assay data, computation, electron microscopy. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6sc00756b Click here for additional data file.

    PubMed Central

    Peacock, Hayden; Luo, Jinghui; Yamashita, Tohru; Luccarelli, James

    2016-01-01

    Conformationally-constrained molecules that selectively recognise the surfaces of proteins have the potential to direct the path of protein folding. Such molecules are of therapeutic interest because the misfolding of proteins, especially that which results in fibrillation and aggregation, is strongly correlated with numerous diseases. Here we report the novel use of S···O interactions as a conformational control element in a new class of non-peptidic scaffold that mimics key elements of protein surfaces. These molecules disrupt the fibrillation of islet amyloid polypeptide (IAPP), a process that is implicated in the pathology of type II diabetes. PMID:28451100

  12. The origin of the ligand-controlled regioselectivity in Rh-catalyzed [(2 + 2) + 2] carbocyclizations: steric vs. stereoelectronic effects† †Electronic supplementary information (ESI) available: Computational details, Cartesian coordinates and vibrational frequencies of all optimized structures. See DOI: 10.1039/c5sc02307f Click here for additional data file.

    PubMed Central

    Crandell, Douglas W.; Mazumder, Shivnath

    2015-01-01

    Density functional theory calculations demonstrate that the reversal of regiochemical outcome of the addition for substituted methyl propiolates in the rhodium-catalyzed [(2 + 2) + 2] carbocyclization with PPh3 and (S)-xyl-binap as ligands is both electronically and sterically controlled. For example, the ester functionality polarizes the alkyne π* orbital to favor overlap of the methyl-substituted terminus of the alkyne with the pπ-orbital of the alkenyl fragment of the rhodacycle during alkyne insertion with PPh3 as the ligand. In contrast, the sterically demanding xyl-binap ligand cannot accommodate the analogous alkyne orientation, thereby forcing insertion to occur at the sterically preferred ester terminus, overriding the electronically preferred orientation for alkyne insertion. PMID:28757978

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

    PubMed Central

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

    2015-01-01

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

  14. Advances in structure elucidation of small molecules using mass spectrometry

    PubMed Central

    Fiehn, Oliver

    2010-01-01

    The structural elucidation of small molecules using mass spectrometry plays an important role in modern life sciences and bioanalytical approaches. This review covers different soft and hard ionization techniques and figures of merit for modern mass spectrometers, such as mass resolving power, mass accuracy, isotopic abundance accuracy, accurate mass multiple-stage MS(n) capability, as well as hybrid mass spectrometric and orthogonal chromatographic approaches. The latter part discusses mass spectral data handling strategies, which includes background and noise subtraction, adduct formation and detection, charge state determination, accurate mass measurements, elemental composition determinations, and complex data-dependent setups with ion maps and ion trees. The importance of mass spectral library search algorithms for tandem mass spectra and multiple-stage MS(n) mass spectra as well as mass spectral tree libraries that combine multiple-stage mass spectra are outlined. The successive chapter discusses mass spectral fragmentation pathways, biotransformation reactions and drug metabolism studies, the mass spectral simulation and generation of in silico mass spectra, expert systems for mass spectral interpretation, and the use of computational chemistry to explain gas-phase phenomena. A single chapter discusses data handling for hyphenated approaches including mass spectral deconvolution for clean mass spectra, cheminformatics approaches and structure retention relationships, and retention index predictions for gas and liquid chromatography. The last section reviews the current state of electronic data sharing of mass spectra and discusses the importance of software development for the advancement of structure elucidation of small molecules. Electronic supplementary material The online version of this article (doi:10.1007/s12566-010-0015-9) contains supplementary material, which is available to authorized users. PMID:21289855

  15. A DEIM Induced CUR Factorization

    DTIC Science & Technology

    2015-09-18

    CUR approximate matrix factorization based on the Discrete Empirical Interpolation Method (DEIM). For a given matrix A, such a factorization provides a...CUR approximations based on leverage scores. 1 Introduction This work presents a new CUR matrix factorization based upon the Discrete Empirical...SUPPLEMENTARY NOTES 14. ABSTRACT We derive a CUR approximate matrix factorization based on the Discrete Empirical Interpolation Method (DEIM). For a given

  16. Counterinsurgency Aircraft Procurement Options: Processes, Methods, Alternatives, and Estimates

    DTIC Science & Technology

    2009-08-01

    4. TITLE AND SUBTITLE Counterinsurgency Aircraft Procurement Options: Processes, Methods, Alternatives, and Estimates 5a. CONTRACT NUMBER 5b...Approved for public release; distribution unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT A call is being made for an aircraft dedicated to the...counterinsurgency (COIN) mission within military academic circles and the special operations community. Support for a COIN aircraft needs hard numbers, given

  17. Promise for Enhancing Children's Reading Attitudes through Peer Reading: A Mixed Method Approach

    ERIC Educational Resources Information Center

    Lee, Youngju

    2014-01-01

    Peer-Assisted Learning Strategies (PALS) was implemented for supplementary reading classes in a Korean elementary school. The treatment group children were exposed to PALS during 20 min sessions, 4 times a week, for 8 weeks. The impacts of PALS were investigated in 3 aspects using a mixed-methods approach: improvement in reading attitudes, reading…

  18. 78 FR 23978 - Proposed Collection; Comment Request for Revenue Procedure 2011-14 (as modified by and amplified...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-23

    ... information collections, as required by the Paperwork Reduction Act of 1995, Public Law 104-13 (44 U.S.C. 3506... modified and amplified by RP 2011-22 and RP 2011-28), Changes in Methods of Accounting. DATES: Written....gov . SUPPLEMENTARY INFORMATION: Title: Changes in Methods of Accounting. OMB Number: 1545-1551...

  19. SlideSort: all pairs similarity search for short reads

    PubMed Central

    Shimizu, Kana; Tsuda, Koji

    2011-01-01

    Motivation: Recent progress in DNA sequencing technologies calls for fast and accurate algorithms that can evaluate sequence similarity for a huge amount of short reads. Searching similar pairs from a string pool is a fundamental process of de novo genome assembly, genome-wide alignment and other important analyses. Results: In this study, we designed and implemented an exact algorithm SlideSort that finds all similar pairs from a string pool in terms of edit distance. Using an efficient pattern growth algorithm, SlideSort discovers chains of common k-mers to narrow down the search. Compared to existing methods based on single k-mers, our method is more effective in reducing the number of edit distance calculations. In comparison to backtracking methods such as BWA, our method is much faster in finding remote matches, scaling easily to tens of millions of sequences. Our software has an additional function of single link clustering, which is useful in summarizing short reads for further processing. Availability: Executable binary files and C++ libraries are available at http://www.cbrc.jp/~shimizu/slidesort/ for Linux and Windows. Contact: slidesort@m.aist.go.jp; shimizu-kana@aist.go.jp Supplementary information: Supplementary data are available at Bioinformatics online. PMID:21148542

  20. Deciphering the associations between gene expression and copy number alteration using a sparse double Laplacian shrinkage approach

    PubMed Central

    Shi, Xingjie; Zhao, Qing; Huang, Jian; Xie, Yang; Ma, Shuangge

    2015-01-01

    Motivation: Both gene expression levels (GEs) and copy number alterations (CNAs) have important biological implications. GEs are partly regulated by CNAs, and much effort has been devoted to understanding their relations. The regulation analysis is challenging with one gene expression possibly regulated by multiple CNAs and one CNA potentially regulating the expressions of multiple genes. The correlations among GEs and among CNAs make the analysis even more complicated. The existing methods have limitations and cannot comprehensively describe the regulation. Results: A sparse double Laplacian shrinkage method is developed. It jointly models the effects of multiple CNAs on multiple GEs. Penalization is adopted to achieve sparsity and identify the regulation relationships. Network adjacency is computed to describe the interconnections among GEs and among CNAs. Two Laplacian shrinkage penalties are imposed to accommodate the network adjacency measures. Simulation shows that the proposed method outperforms the competing alternatives with more accurate marker identification. The Cancer Genome Atlas data are analysed to further demonstrate advantages of the proposed method. Availability and implementation: R code is available at http://works.bepress.com/shuangge/49/ Contact: shuangge.ma@yale.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:26342102

  1. Incorporating interaction networks into the determination of functionally related hit genes in genomic experiments with Markov random fields

    PubMed Central

    Robinson, Sean; Nevalainen, Jaakko; Pinna, Guillaume; Campalans, Anna; Radicella, J. Pablo; Guyon, Laurent

    2017-01-01

    Abstract Motivation: Incorporating gene interaction data into the identification of ‘hit’ genes in genomic experiments is a well-established approach leveraging the ‘guilt by association’ assumption to obtain a network based hit list of functionally related genes. We aim to develop a method to allow for multivariate gene scores and multiple hit labels in order to extend the analysis of genomic screening data within such an approach. Results: We propose a Markov random field-based method to achieve our aim and show that the particular advantages of our method compared with those currently used lead to new insights in previously analysed data as well as for our own motivating data. Our method additionally achieves the best performance in an independent simulation experiment. The real data applications we consider comprise of a survival analysis and differential expression experiment and a cell-based RNA interference functional screen. Availability and implementation: We provide all of the data and code related to the results in the paper. Contact: sean.j.robinson@utu.fi or laurent.guyon@cea.fr Supplementary information: Supplementary data are available at Bioinformatics online. PMID:28881978

  2. Estimating evolutionary rates using time-structured data: a general comparison of phylogenetic methods.

    PubMed

    Duchêne, Sebastián; Geoghegan, Jemma L; Holmes, Edward C; Ho, Simon Y W

    2016-11-15

    In rapidly evolving pathogens, including viruses and some bacteria, genetic change can accumulate over short time-frames. Accordingly, their sampling times can be used to calibrate molecular clocks, allowing estimation of evolutionary rates. Methods for estimating rates from time-structured data vary in how they treat phylogenetic uncertainty and rate variation among lineages. We compiled 81 virus data sets and estimated nucleotide substitution rates using root-to-tip regression, least-squares dating and Bayesian inference. Although estimates from these three methods were often congruent, this largely relied on the choice of clock model. In particular, relaxed-clock models tended to produce higher rate estimates than methods that assume constant rates. Discrepancies in rate estimates were also associated with high among-lineage rate variation, and phylogenetic and temporal clustering. These results provide insights into the factors that affect the reliability of rate estimates from time-structured sequence data, emphasizing the importance of clock-model testing. sduchene@unimelb.edu.au or garzonsebastian@hotmail.comSupplementary information: Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  3. Minfi: a flexible and comprehensive Bioconductor package for the analysis of Infinium DNA methylation microarrays

    PubMed Central

    Aryee, Martin J.; Jaffe, Andrew E.; Corrada-Bravo, Hector; Ladd-Acosta, Christine; Feinberg, Andrew P.; Hansen, Kasper D.; Irizarry, Rafael A.

    2014-01-01

    Motivation: The recently released Infinium HumanMethylation450 array (the ‘450k’ array) provides a high-throughput assay to quantify DNA methylation (DNAm) at ∼450 000 loci across a range of genomic features. Although less comprehensive than high-throughput sequencing-based techniques, this product is more cost-effective and promises to be the most widely used DNAm high-throughput measurement technology over the next several years. Results: Here we describe a suite of computational tools that incorporate state-of-the-art statistical techniques for the analysis of DNAm data. The software is structured to easily adapt to future versions of the technology. We include methods for preprocessing, quality assessment and detection of differentially methylated regions from the kilobase to the megabase scale. We show how our software provides a powerful and flexible development platform for future methods. We also illustrate how our methods empower the technology to make discoveries previously thought to be possible only with sequencing-based methods. Availability and implementation: http://bioconductor.org/packages/release/bioc/html/minfi.html. Contact: khansen@jhsph.edu; rafa@jimmy.harvard.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:24478339

  4. Large-scale binding ligand prediction by improved patch-based method Patch-Surfer2.0

    PubMed Central

    Zhu, Xiaolei; Xiong, Yi; Kihara, Daisuke

    2015-01-01

    Motivation: Ligand binding is a key aspect of the function of many proteins. Thus, binding ligand prediction provides important insight in understanding the biological function of proteins. Binding ligand prediction is also useful for drug design and examining potential drug side effects. Results: We present a computational method named Patch-Surfer2.0, which predicts binding ligands for a protein pocket. By representing and comparing pockets at the level of small local surface patches that characterize physicochemical properties of the local regions, the method can identify binding pockets of the same ligand even if they do not share globally similar shapes. Properties of local patches are represented by an efficient mathematical representation, 3D Zernike Descriptor. Patch-Surfer2.0 has significant technical improvements over our previous prototype, which includes a new feature that captures approximate patch position with a geodesic distance histogram. Moreover, we constructed a large comprehensive database of ligand binding pockets that will be searched against by a query. The benchmark shows better performance of Patch-Surfer2.0 over existing methods. Availability and implementation: http://kiharalab.org/patchsurfer2.0/ Contact: dkihara@purdue.edu Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25359888

  5. Seafood Products: Food Service Program Guide.

    ERIC Educational Resources Information Center

    Webb, Anita H.; And Others

    The nine lessons and supplementary activities included in this seafood food service program guide are intended for use in secondary and postsecondary occupational home economics food service programs. Material covers nutrition, therapeutic diets, harvesting methods, quality assessment, fish cuts and forms, inspection, dressing, storage,…

  6. Center for Parallel Optimization

    DTIC Science & Technology

    1993-09-30

    BOLLING AFB DC 20332-0001 _ii _ 11. SUPPLEMENTARY NOTES 12a. DISTRIBUTION/ AVAILABILITY STATEMENT 12b. DISTRIBUTION CODE APPROVED FOR PUBLIC RELEASE...Machines Corporation, March 16-19, 1993 , A Branch- and-Bound Method for Mixed Integer Programming on the CM-.5 "* Dr. Roberto Musmanno, University of

  7. Successful Instructional Strategies for the Community College Student.

    ERIC Educational Resources Information Center

    Franse, Stephen R.

    1992-01-01

    Describes methods which have proven effective in motivating largely nontraditional and bilingual community college students to succeed. Suggests that teachers require writing, use graphs/illustrations creatively, use primary sources as required readings, provide supplementary readings, use brainstorming and quality circle techniques, and prepare…

  8. 48 CFR 970.1100-1 - Performance-based contracting.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Performance-based... SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Describing Agency Needs 970.1100-1 Performance... practicable, performance-based contracting methods in its management and operating contracts. The Office of...

  9. 48 CFR 970.1707 - Work for others.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Work for others. 970.1707 Section 970.1707 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Special Contracting Methods 970.1707 Work for others. ...

  10. The effects of supplementary cementitious materials on alkali-silica reaction : [technical summary].

    DOT National Transportation Integrated Search

    2015-07-01

    The Kansas Department of Transportation (KDOT) has controlled alkali-silica : reaction (ASR) for more than 70 years through the use of selected aggregates. : Sand and gravel sources had to be tested using Kansas Test Method KTMR- : 23 (1999), Wetting...

  11. The effects of supplementary cementitious materials on alkali-silica reaction.

    DOT National Transportation Integrated Search

    2015-07-01

    The Kansas Department of Transportation (KDOT) has controlled alkali-silica reaction (ASR) for more than : 70 years through the use of selected aggregates. Sand and gravel sources had to be tested using Kansas Test Method : KTMR-23 (1999), Wetting an...

  12. 48 CFR 970.1100-1 - Performance-based contracting.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Describing Agency Needs 970.1100-1 Performance... practicable, performance-based contracting methods in its management and operating contracts. The Office of...-based contracting concepts and methodologies that may be generally applied to management and operating...

  13. 47 CFR 101.411 - Supplementary showing required.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Supplementary showing required. 101.411 Section 101.411 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES FIXED MICROWAVE SERVICES Developmental Authorizations § 101.411 Supplementary showing required. (a...

  14. 47 CFR 101.411 - Supplementary showing required.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Supplementary showing required. 101.411 Section 101.411 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES FIXED MICROWAVE SERVICES Developmental Authorizations § 101.411 Supplementary showing required. (a...

  15. 47 CFR 101.411 - Supplementary showing required.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Supplementary showing required. 101.411 Section 101.411 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES FIXED MICROWAVE SERVICES Developmental Authorizations § 101.411 Supplementary showing required. (a...

  16. FRED 2: an immunoinformatics framework for Python

    PubMed Central

    Schubert, Benjamin; Walzer, Mathias; Brachvogel, Hans-Philipp; Szolek, András; Mohr, Christopher; Kohlbacher, Oliver

    2016-01-01

    Summary: Immunoinformatics approaches are widely used in a variety of applications from basic immunological to applied biomedical research. Complex data integration is inevitable in immunological research and usually requires comprehensive pipelines including multiple tools and data sources. Non-standard input and output formats of immunoinformatics tools make the development of such applications difficult. Here we present FRED 2, an open-source immunoinformatics framework offering easy and unified access to methods for epitope prediction and other immunoinformatics applications. FRED 2 is implemented in Python and designed to be extendable and flexible to allow rapid prototyping of complex applications. Availability and implementation: FRED 2 is available at http://fred-2.github.io Contact: schubert@informatik.uni-tuebingen.de Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27153717

  17. Levels of selected carcinogens and toxicants in vapour from electronic cigarettes.

    PubMed

    Goniewicz, Maciej Lukasz; Knysak, Jakub; Gawron, Michal; Kosmider, Leon; Sobczak, Andrzej; Kurek, Jolanta; Prokopowicz, Adam; Jablonska-Czapla, Magdalena; Rosik-Dulewska, Czeslawa; Havel, Christopher; Jacob, Peyton; Benowitz, Neal

    2014-03-01

    Electronic cigarettes, also known as e-cigarettes, are devices designed to imitate regular cigarettes and deliver nicotine via inhalation without combusting tobacco. They are purported to deliver nicotine without other toxicants and to be a safer alternative to regular cigarettes. However, little toxicity testing has been performed to evaluate the chemical nature of vapour generated from e-cigarettes. The aim of this study was to screen e-cigarette vapours for content of four groups of potentially toxic and carcinogenic compounds: carbonyls, volatile organic compounds, nitrosamines and heavy metals. Vapours were generated from 12 brands of e-cigarettes and the reference product, the medicinal nicotine inhaler, in controlled conditions using a modified smoking machine. The selected toxic compounds were extracted from vapours into a solid or liquid phase and analysed with chromatographic and spectroscopy methods. We found that the e-cigarette vapours contained some toxic substances. The levels of the toxicants were 9-450 times lower than in cigarette smoke and were, in many cases, comparable with trace amounts found in the reference product. Our findings are consistent with the idea that substituting tobacco cigarettes with e-cigarettes may substantially reduce exposure to selected tobacco-specific toxicants. E-cigarettes as a harm reduction strategy among smokers unwilling to quit, warrants further study. (To view this abstract in Polish and German, please see the supplementary files online.).

  18. The role of gender on academic performance in STEM-related disciplines: Data from a tertiary institution.

    PubMed

    John, Temitope M; Badejo, Joke A; Popoola, Segun I; Omole, David O; Odukoya, Jonathan A; Ajayi, Priscilla O; Aboyade, Mary; Atayero, Aderemi A

    2018-06-01

    This data article presents data of academic performances of undergraduate students in Science, Technology, Engineering and Mathematics (STEM) disciplines in Covenant University, Nigeria. The data shows academic performances of Male and Female students who graduated from 2010 to 2014. The total population of samples in the observation is 3046 undergraduates mined from Biochemistry (BCH), Building technology (BLD), Computer Engineering (CEN), Chemical Engineering (CHE), Industrial Chemistry (CHM), Computer Science (CIS), Civil Engineering (CVE), Electrical and Electronics Engineering (EEE), Information and Communication Engineering (ICE), Mathematics (MAT), Microbiology (MCB), Mechanical Engineering (MCE), Management and Information System (MIS), Petroleum Engineering (PET), Industrial Physics-Electronics and IT Applications (PHYE), Industrial Physics-Applied Geophysics (PHYG) and Industrial Physics-Renewable Energy (PHYR). The detailed dataset is made available in form of a Microsoft Excel spreadsheet in the supplementary material of this article.

  19. Versatile telluracycle synthesis via the sequential electrophilic telluration of C(sp2)–Zn and C(sp2)–H bonds† †Electronic supplementary information (ESI) available. CCDC 1523262–1523264. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc01162h Click here for additional data file. Click here for additional data file.

    PubMed Central

    Wu, Bin; Melvina; Wu, Xiangyang; Lee Yeow, Edwin Kok

    2017-01-01

    We report herein a new approach for the synthesis of tellurium-bridged aromatic compounds based on the sequential electrophilic telluration of C(sp2)–Zn and C(sp2)–H bonds with tellurium(iv) chlorides. A combination of transition metal-catalyzed (migratory) arylmetalation of alkynes and sequential telluration allows for the expedient construction of a library of functionalized benzo[b]tellurophenes. Furthermore, a variety of heteroarene-fused benzotellurophenes and other novel tellurium-embedded polycyclic aromatics can be readily synthesized from the corresponding 2-iodoheterobiaryls. PMID:28970880

  20. Enhanced antibacterial activity of zinc oxide nanoparticles synthesized using Petroselinum crispum extracts

    NASA Astrophysics Data System (ADS)

    Stan, Manuela; Popa, Adriana; Toloman, Dana; Silipas, Teofil-Danut; Vodnar, Dan Cristian; Katona, Gabriel

    2015-12-01

    The present contribution reports the synthesis of zinc oxide nanoparticles (ZnO NPs) using aqueous leaf and root extracts of Petroselinum crispum (parsley) and characterization of as-prepared samples. ZnO NPs are subjected to X-ray diffraction (XRD), transmission electron microscopy (TEM) and electron paramagnetic resonance (EPR) studies. The XRD studies reveal a hexagonal wurtzite structure without supplementary diffraction lines for all ZnO samples. TEM analysis shows that the particle size is influenced by the type of plant extract. The EPR spectra indicate the presence of Mn2+ ions in ZnO sample synthesized using P. crispum leaf extract, while zinc vacancy complexes and oxygen vacancies are evidenced in all analyzed samples. ZnO NPs synthesized using P. crispum extracts exhibit increased (2-16 times) antibacterial activity as compared to chemically synthesized ZnO NPs.

  1. Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety via a double decarboxylative formal ring-expansion process under palladium catalysis† †Electronic supplementary information (ESI) available: CCDC 1575063, 1575065, 1575062, 1589030. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc05447e

    PubMed Central

    Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko

    2018-01-01

    Direct access to pharmaceutically attractive benzo-fused nine-membered heterocyclic alkenes 3 with a trifluoromethyl carbinol moiety was achieved via a palladium-catalyzed double-decarboxylative formal ring-expansion process from six-membered trifluoromethyl benzo[d][1,3]oxazinones 1 to nine-membered trifluoromethyl benzo[c][1,5]oxazonines 3 in the presence of vinylethylene carbonates 2. Generation of a Pd-π-allyl zwitterionic intermediate was proposed in the catalytic cycle. The trifluoromethyl group in the benzoxazinanones 1 plays an important role throughout the transformation. Diastereoselective chemical transformations of products 3 were also demonstrated. PMID:29732106

  2. Intervention in gene regulatory networks with maximal phenotype alteration.

    PubMed

    Yousefi, Mohammadmahdi R; Dougherty, Edward R

    2013-07-15

    A basic issue for translational genomics is to model gene interaction via gene regulatory networks (GRNs) and thereby provide an informatics environment to study the effects of intervention (say, via drugs) and to derive effective intervention strategies. Taking the view that the phenotype is characterized by the long-run behavior (steady-state distribution) of the network, we desire interventions to optimally move the probability mass from undesirable to desirable states Heretofore, two external control approaches have been taken to shift the steady-state mass of a GRN: (i) use a user-defined cost function for which desirable shift of the steady-state mass is a by-product and (ii) use heuristics to design a greedy algorithm. Neither approach provides an optimal control policy relative to long-run behavior. We use a linear programming approach to optimally shift the steady-state mass from undesirable to desirable states, i.e. optimization is directly based on the amount of shift and therefore must outperform previously proposed methods. Moreover, the same basic linear programming structure is used for both unconstrained and constrained optimization, where in the latter case, constraints on the optimization limit the amount of mass that may be shifted to 'ambiguous' states, these being states that are not directly undesirable relative to the pathology of interest but which bear some perceived risk. We apply the method to probabilistic Boolean networks, but the theory applies to any Markovian GRN. Supplementary materials, including the simulation results, MATLAB source code and description of suboptimal methods are available at http://gsp.tamu.edu/Publications/supplementary/yousefi13b. edward@ece.tamu.edu Supplementary data are available at Bioinformatics online.

  3. Remarkable Growth of Open Access in the Biomedical Field: Analysis of PubMed Articles from 2006 to 2010

    PubMed Central

    Kurata, Keiko; Morioka, Tomoko; Yokoi, Keiko; Matsubayashi, Mamiko

    2013-01-01

    Introduction This study clarifies the trends observed in open access (OA) in the biomedical field between 2006 and 2010, and explores the possible explanations for the differences in OA rates revealed in recent surveys. Methods The study consists of a main survey and two supplementary surveys. In the main survey, a manual Google search was performed to investigate whether full-text versions of articles from PubMed were freely available. Target samples were articles published in 2005, 2007, and 2009; the searches were performed a year after publication in 2006, 2008, and 2010, respectively. Using the search results, we classified the OA provision methods into seven categories. The supplementary surveys calculated the OA rate using two search functions on PubMed: “LinkOut” and “Limits.” Results The main survey concluded that the OA rate increased significantly between 2006 and 2010: the OA rate in 2010 (50.2%) was twice that in 2006 (26.3%). Furthermore, majority of OA articles were available from OA journal (OAJ) websites, indicating that OAJs have consistently been a significant contributor to OA throughout the period. OA availability through the PubMed Central (PMC) repository also increased significantly. OA rates obtained from two supplementary surveys were lower than those found in the main survey. “LinkOut” could find only 40% of OA articles in the main survey. Discussion OA articles in the biomedical field have more than a 50% share. OA has been achieved through OAJs. The reason why the OA rates in our surveys are different from those in recent surveys seems to be the difference in sampling methods and verification procedures. PMID:23658683

  4. Achieving equity in Crunch&Sip®: a pilot intervention of supplementary free fruit and vegetables in NSW classrooms.

    PubMed

    Hector, Debra; Edwards, Shelley; Gale, Joanne; Ryan, Helen

    2017-12-01

    Issue addressed Anecdotal evidence from teachers in Western Sydney Local Health District (WSLHD) indicated that many primary school children are regularly unable to participate in the Crunch&Sip ® (C&S) program (breaks during class time to eat fruit and/or vegetables and drink water) as they do not bring produce from home. Actual reach of the program may therefore be currently overestimated, and inequitable. This study examined the feasibility, acceptability and efficacy of providing school children supplementary, fresh free produce in supporting equitable participation in C&S. Methods Free fruit and vegetables were provided for 10 weeks to four schools in a socioeconomically-disadvantaged area in Western Sydney. WSLHD sourced the produce at a discounted rate and storage and distribution was arranged in partnership with industry. Schools determined methods of allocation to children who did not have fruit or vegetables for the C&S break. Pre- and late-intervention (Week 9) classroom surveys provided quantitative data of intervention efficacy. Qualitative methods were used with key school persons to explore barriers and enablers to implementation. Results Participation of children in C&S increased significantly from 46.7% pre-intervention to 92.0% in Week 9. The proportion of children bringing fruit or vegetables from home also increased significantly, from 46.7% to 54.0%. Schools perceived the supplementary strategy to be highly feasible and acceptable. Conclusion Expansion of this equity strategy warrants consideration, although issues of sustainability would need to be addressed. The criteria for 'full implementation' should include high proportional participation by students in participating classes. So what? Establishing a system by which schools in disadvantaged areas can supplement their C&S program would effectively increase access to fruit and vegetables among those children most at need.

  5. 13 CFR 301.6 - Supplementary investment assistance.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Supplementary investment..., DEPARTMENT OF COMMERCE ELIGIBILITY, INVESTMENT RATE AND PROPOSAL AND APPLICATION REQUIREMENTS Investment Rates and Matching Share Requirements § 301.6 Supplementary investment assistance. (a) Pursuant to a...

  6. Magnetic response of hybrid ferromagnetic and antiferromagnetic core-shell nanostructures

    NASA Astrophysics Data System (ADS)

    Khan, U.; Li, W. J.; Adeela, N.; Irfan, M.; Javed, K.; Wan, C. H.; Riaz, S.; Han, X. F.

    2016-03-01

    The synthesis of FeTiO3-Ni(Ni80Fe20) core-shell nanostructures by a two-step method (sol-gel and DC electrodeposition) has been demonstrated. XRD analysis confirms the rhombohedral crystal structure of FeTiO3(FTO) with space group R3&cmb.macr;. Transmission electron microscopy clearly depicts better morphology of nanostructures with shell thicknesses of ~25 nm. Room temperature magnetic measurements showed significant enhancement of magnetic anisotropy for the permalloy (Ni80Fe20)-FTO over Ni-FTO core-shell nanostructures. Low temperature magnetic measurements of permalloy-FeTiO3 core-shell structure indicated a strong exchange bias mechanism with magnetic coercivity below the antiferromagnetic Neel temperature (TN = 59 K). The exchange bias is attributed to the alignment of magnetic moments in the antiferromagnetic material at low temperature. Our scheme opens a path towards optimum automotive systems and wireless communications wherein broader bandwidths and smaller sizes are required.The synthesis of FeTiO3-Ni(Ni80Fe20) core-shell nanostructures by a two-step method (sol-gel and DC electrodeposition) has been demonstrated. XRD analysis confirms the rhombohedral crystal structure of FeTiO3(FTO) with space group R3&cmb.macr;. Transmission electron microscopy clearly depicts better morphology of nanostructures with shell thicknesses of ~25 nm. Room temperature magnetic measurements showed significant enhancement of magnetic anisotropy for the permalloy (Ni80Fe20)-FTO over Ni-FTO core-shell nanostructures. Low temperature magnetic measurements of permalloy-FeTiO3 core-shell structure indicated a strong exchange bias mechanism with magnetic coercivity below the antiferromagnetic Neel temperature (TN = 59 K). The exchange bias is attributed to the alignment of magnetic moments in the antiferromagnetic material at low temperature. Our scheme opens a path towards optimum automotive systems and wireless communications wherein broader bandwidths and smaller sizes are required. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr07946b

  7. Down- and up-conversion luminescent carbon dot fluid: inkjet printing and gel glass fabrication

    NASA Astrophysics Data System (ADS)

    Wang, Fu; Xie, Zheng; Zhang, Bing; Liu, Yun; Yang, Wendong; Liu, Chun-Yan

    2014-03-01

    Room temperature liquid-like nanoparticles have emerged as an exciting new research and development area, because their properties could be tailored over a broad range by manipulating geometric and chemical characteristics of the inorganic core and organic canopy. However, related applications are rarely reported due to the multi-step synthesis process and potential toxicity of cadmium based nanomaterials. In this study, we prepared inexpensive and eco-friendly carbon dot fluid by the direct thermal decomposition method. The carbon dot fluid can be excited from UV to near infrared light, and can be prepared as highly concentrated luminescent ink or incorporated into sol-gel derived organically modified silicate glass, suggesting that it has great application potential in the field of printable electronics, solid state lighting and so on.Room temperature liquid-like nanoparticles have emerged as an exciting new research and development area, because their properties could be tailored over a broad range by manipulating geometric and chemical characteristics of the inorganic core and organic canopy. However, related applications are rarely reported due to the multi-step synthesis process and potential toxicity of cadmium based nanomaterials. In this study, we prepared inexpensive and eco-friendly carbon dot fluid by the direct thermal decomposition method. The carbon dot fluid can be excited from UV to near infrared light, and can be prepared as highly concentrated luminescent ink or incorporated into sol-gel derived organically modified silicate glass, suggesting that it has great application potential in the field of printable electronics, solid state lighting and so on. Electronic supplementary information (ESI) available: Details of FTIR, XRD and DLS of CDF, optical properties of CDF, TEM images of other obtained products, luminescent spectra of CDF at different temperatures, and the optical photographs of CDF inks and silica glasses with different concentrations under normal, UV and 800 nm light. See DOI: 10.1039/c3nr05869g

  8. Multi-walled carbon/IF-WS2 nanoparticles with improved thermal properties

    NASA Astrophysics Data System (ADS)

    Xu, Fang; Almeida, Trevor P.; Chang, Hong; Xia, Yongde; Wears, M. Lesley; Zhu, Yanqiu

    2013-10-01

    A unique new class of core-shell structured composite nanoparticles, C-coated inorganic fullerene-like WS2 (IF-WS2) hollow nanoparticles, has been created for the first time in large quantities, by a continuous chemical vapour deposition method using a rotary furnace. Transmission electron microscopy and Raman characterisations of the resulting samples reveal that the composite nanoparticles exhibited a uniform shell of carbon coating, ranging from 2-5 nm on the IF-WS2 core, with little or no agglomeration. Importantly, thermogravimetric analysis and differential scanning calorimetry analysis confirm that their thermal stability against oxidation in air has been improved by about 70 °C, compared to the pristine IF-WS2, making these new C-coated IF-WS2 nanoparticles more attractive for critical engineering applications.A unique new class of core-shell structured composite nanoparticles, C-coated inorganic fullerene-like WS2 (IF-WS2) hollow nanoparticles, has been created for the first time in large quantities, by a continuous chemical vapour deposition method using a rotary furnace. Transmission electron microscopy and Raman characterisations of the resulting samples reveal that the composite nanoparticles exhibited a uniform shell of carbon coating, ranging from 2-5 nm on the IF-WS2 core, with little or no agglomeration. Importantly, thermogravimetric analysis and differential scanning calorimetry analysis confirm that their thermal stability against oxidation in air has been improved by about 70 °C, compared to the pristine IF-WS2, making these new C-coated IF-WS2 nanoparticles more attractive for critical engineering applications. Electronic supplementary information (ESI) available: Sketch of the rotary furnace, XRD pattern comparison of IF-WS2 and 2H WS2, XRD patterns of C-coated IF-WS2 (41-50°), and TGA and MS curves for pristine IF-WS2. See DOI: 10.1039/c3nr03844k

  9. Efficient simulation of intrinsic, extrinsic and external noise in biochemical systems

    PubMed Central

    Pischel, Dennis; Sundmacher, Kai; Flassig, Robert J.

    2017-01-01

    Abstract Motivation: Biological cells operate in a noisy regime influenced by intrinsic, extrinsic and external noise, which leads to large differences of individual cell states. Stochastic effects must be taken into account to characterize biochemical kinetics accurately. Since the exact solution of the chemical master equation, which governs the underlying stochastic process, cannot be derived for most biochemical systems, approximate methods are used to obtain a solution. Results: In this study, a method to efficiently simulate the various sources of noise simultaneously is proposed and benchmarked on several examples. The method relies on the combination of the sigma point approach to describe extrinsic and external variability and the τ-leaping algorithm to account for the stochasticity due to probabilistic reactions. The comparison of our method to extensive Monte Carlo calculations demonstrates an immense computational advantage while losing an acceptable amount of accuracy. Additionally, the application to parameter optimization problems in stochastic biochemical reaction networks is shown, which is rarely applied due to its huge computational burden. To give further insight, a MATLAB script is provided including the proposed method applied to a simple toy example of gene expression. Availability and implementation: MATLAB code is available at Bioinformatics online. Contact: flassig@mpi-magdeburg.mpg.de Supplementary information: Supplementary data are available at Bioinformatics online. PMID:28881987

  10. Supplementary routes to local anaesthesia.

    PubMed

    Meechan, J G

    2002-11-01

    The satisfactory provision of many dental treatments, particularly endodontics, relies on achieving excellent pain control. Unfortunately, the administration of a local anaesthetic solution does not always produce satisfactory anaesthesia of the dental pulp. This may be distressing for both patient and operator. Fortunately, failure of local anaesthetic injections can be overcome. This is often achieved by using alternative routes of approach for subsequent injections. Nerves such as the inferior alveolar nerve can be anaesthetized by a variety of block methods. However, techniques of anaesthesia other than the standard infiltration and regional block injections may be employed successfully when these former methods have failed to produce adequate pain control. This paper describes some supplementary local anaesthetic techniques that may be used to achieve pulpal anaesthesia for endodontic procedures when conventional approaches have failed. Although some of these techniques can be used as the primary form of anaesthesia, these are normally employed as 'back-up'. The methods described are intraligamentary (periodontal ligament) injections, intraosseous anaesthesia and the intrapulpal approach. The factors that influence the success of these methods and the advantages and disadvantages of each technique are discussed. The advent of new instrumentation, which permits the slow delivery of local anaesthetic solution has led to the development of novel methods of anaesthesia in dentistry. These new approaches are discussed.

  11. Length-dependent thermal transport in one-dimensional self-assembly of planar π-conjugated molecules

    NASA Astrophysics Data System (ADS)

    Tang, Hao; Xiong, Yucheng; Zu, Fengshuo; Zhao, Yang; Wang, Xiaomeng; Fu, Qiang; Jie, Jiansheng; Yang, Juekuan; Xu, Dongyan

    2016-06-01

    This work reports a thermal transport study in quasi-one-dimensional organic nanostructures self-assembled from conjugated planar molecules via π-π interactions. Thermal resistances of single crystalline copper phthalocyanine (CuPc) and perylenetetracarboxylic diimide (PTCDI) nanoribbons are measured via a suspended thermal bridge method. We experimentally observed the deviation from the linear length dependence for the thermal resistance of single crystalline β-phase CuPc nanoribbons, indicating possible subdiffusion thermal transport. Interestingly, a gradual transition to the linear length dependence is observed with the increase of the lateral dimensions of CuPc nanoribbons. The measured thermal resistance of single crystalline CuPc nanoribbons shows an increasing trend with temperature. However, the trend of temperature dependence of thermal resistance is reversed after electron irradiation, i.e., decreasing with temperature, indicating that the single crystalline CuPc nanoribbons become `amorphous'. Similar behavior is also observed for PTCDI nanoribbons after electron irradiation, proving that the electron beam can induce amorphization of single crystalline self-assembled nanostructures of planar π-conjugated molecules. The measured thermal resistance of the `amorphous' CuPc nanoribbon demonstrates a roughly linear dependence on the nanoribbon length, suggesting that normal diffusion dominates thermal transport.This work reports a thermal transport study in quasi-one-dimensional organic nanostructures self-assembled from conjugated planar molecules via π-π interactions. Thermal resistances of single crystalline copper phthalocyanine (CuPc) and perylenetetracarboxylic diimide (PTCDI) nanoribbons are measured via a suspended thermal bridge method. We experimentally observed the deviation from the linear length dependence for the thermal resistance of single crystalline β-phase CuPc nanoribbons, indicating possible subdiffusion thermal transport. Interestingly, a gradual transition to the linear length dependence is observed with the increase of the lateral dimensions of CuPc nanoribbons. The measured thermal resistance of single crystalline CuPc nanoribbons shows an increasing trend with temperature. However, the trend of temperature dependence of thermal resistance is reversed after electron irradiation, i.e., decreasing with temperature, indicating that the single crystalline CuPc nanoribbons become `amorphous'. Similar behavior is also observed for PTCDI nanoribbons after electron irradiation, proving that the electron beam can induce amorphization of single crystalline self-assembled nanostructures of planar π-conjugated molecules. The measured thermal resistance of the `amorphous' CuPc nanoribbon demonstrates a roughly linear dependence on the nanoribbon length, suggesting that normal diffusion dominates thermal transport. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr09043a

  12. Facile and green synthesis of mesoporous Co3O4 nanocubes and their applications for supercapacitors

    NASA Astrophysics Data System (ADS)

    Liu, Xiangmei; Long, Qing; Jiang, Chunhui; Zhan, Beibei; Li, Chen; Liu, Shujuan; Zhao, Qiang; Huang, Wei; Dong, Xiaochen

    2013-06-01

    Nanostructured Co3O4 materials attracted significant attention due to their exceptional electrochemical (pseudo-capacitive) properties. However, rigorous preparation conditions are needed to control the size (especially nanosize), morphology and size distribution of the products obtained by conventional methods. Herein, we describe a novel one step shape-controlled synthesis of uniform Co3O4 nanocubes with a size of 50 nm with the existence of mesoporous carbon nanorods (meso-CNRs). In this synthesis process, meso-CNRs not only act as a heat receiver to directly obtain Co3O4 eliminating the high-temperature post-calcination, but also control the morphology of the resulting Co3O4 to form nanocubes with uniform distribution. More strikingly, mesoporous Co3O4 nanocubes are obtained by further thermal treatment. The structure and morphology of the samples were characterized by scanning electron microscopy, transmission electron microscopy and X-ray diffraction. A possible formation mechanism of mesoporous Co3O4 nanocubes is proposed here. Electrochemical tests have revealed that the prepared mesoporous Co3O4 nanocubes demonstrate a remarkable performance in supercapacitor applications due to the porous structure, which endows fast ion and electron transfer.Nanostructured Co3O4 materials attracted significant attention due to their exceptional electrochemical (pseudo-capacitive) properties. However, rigorous preparation conditions are needed to control the size (especially nanosize), morphology and size distribution of the products obtained by conventional methods. Herein, we describe a novel one step shape-controlled synthesis of uniform Co3O4 nanocubes with a size of 50 nm with the existence of mesoporous carbon nanorods (meso-CNRs). In this synthesis process, meso-CNRs not only act as a heat receiver to directly obtain Co3O4 eliminating the high-temperature post-calcination, but also control the morphology of the resulting Co3O4 to form nanocubes with uniform distribution. More strikingly, mesoporous Co3O4 nanocubes are obtained by further thermal treatment. The structure and morphology of the samples were characterized by scanning electron microscopy, transmission electron microscopy and X-ray diffraction. A possible formation mechanism of mesoporous Co3O4 nanocubes is proposed here. Electrochemical tests have revealed that the prepared mesoporous Co3O4 nanocubes demonstrate a remarkable performance in supercapacitor applications due to the porous structure, which endows fast ion and electron transfer. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr00495c

  13. 13 CFR 301.6 - Supplementary investment assistance.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 13 Business Credit and Assistance 1 2011-01-01 2011-01-01 false Supplementary investment..., DEPARTMENT OF COMMERCE ELIGIBILITY, INVESTMENT RATE AND APPLICATION REQUIREMENTS Investment Rates and Matching Share Requirements § 301.6 Supplementary investment assistance. (a) Pursuant to a request by an...

  14. Scalable Amplification of Strand Subsets from Chip-Synthesized Oligonucleotide Libraries (Open Access)

    DTIC Science & Technology

    2015-11-16

    detailed discussion of barcode designs in Supplementary Note 1, Supplementary Fig. 1 and sequences in Supplementary Note 2). Whereas the nicking and...eight subpools, each as a one- or as a two-barcode version ( design details in Supplementary Note 1). All subpools amplified strands with the expected...for the c2ca designs . We used the same restriction enzymes (Nb.BsrDI and Nt.BspQI) that were encoded between the primers and the target sequences to

  15. 75 FR 47898 - Proposed Collection; Comment Request for Revenue Procedure 2001-56

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-08-09

    ... comments concerning Revenue Procedure 2001-56, Demonstration Automobile Use. DATES: Written comments [email protected] . SUPPLEMENTARY INFORMATION: Title: Demonstration Automobile Use. OMB Number: 1545-1756... simplified methods for determining the value of the use of demonstration automobiles provided to employees by...

  16. Training of U.S. Air Traffic Controllers. (IDA Report No. R-206).

    ERIC Educational Resources Information Center

    Henry, James H.; And Others

    The report reviews the evolution of existing national programs for air traffic controller training, estimates the number of persons requiring developmental and supplementary training, examines present controller selection and training programs, investigates performance measurement methods, considers standardization and quality control, discusses…

  17. Ru–protein–Co biohybrids designed for solar hydrogen production: understanding electron transfer pathways related to photocatalytic function† †Electronic supplementary information (ESI) available: Time traces of photocatalysis, additional EPR spectra and parameters, UV-visible spectroscopy data, and kinetic fits of TA traces. See DOI: 10.1039/c6sc03121h Click here for additional data file.

    PubMed Central

    Soltau, Sarah R.; Dahlberg, Peter D.; Niklas, Jens; Poluektov, Oleg G.; Mulfort, Karen L.

    2016-01-01

    A series of Ru–protein–Co biohybrids have been prepared using the electron transfer proteins ferredoxin (Fd) and flavodoxin (Fld) as scaffolds for photocatalytic hydrogen production. The light-generated charge separation within these hybrids has been monitored by transient optical and electron paramagnetic resonance spectroscopies. Two distinct electron transfer pathways are observed. The Ru–Fd–Co biohybrid produces up to 650 turnovers of H2 utilizing an oxidative quenching mechanism for Ru(ii)* and a sequential electron transfer pathway via the native [2Fe–2S] cluster to generate a Ru(iii)–Fd–Co(i) charge separated state that lasts for ∼6 ms. In contrast, a direct electron transfer pathway occurs for the Ru–ApoFld–Co biohybrid, which lacks an internal electron relay, generating Ru(i)–ApoFld–Co(i) charge separated state that persists for ∼800 μs and produces 85 turnovers of H2 by a reductive quenching mechanism for Ru(ii)*. This work demonstrates the utility of protein architectures for linking donor and catalytic function via direct or sequential electron transfer pathways to enable stabilized charge separation which facilitates photocatalysis for solar fuel production. PMID:28451142

  18. Interaction between single gold atom and the graphene edge: A study via aberration-corrected transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Wang, Hongtao; Li, Kun; Cheng, Yingchun; Wang, Qingxiao; Yao, Yingbang; Schwingenschlögl, Udo; Zhang, Xixiang; Yang, Wei

    2012-04-01

    Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms.Interaction between single noble metal atoms and graphene edges has been investigated via aberration-corrected and monochromated transmission electron microscopy. A collective motion of the Au atom and the nearby carbon atoms is observed in transition between energy-favorable configurations. Most trapping and detrapping processes are assisted by the dangling carbon atoms, which are more susceptible to knock-on displacements by electron irradiation. Thermal energy is lower than the activation barriers in transition among different energy-favorable configurations, which suggests electron-beam irradiation can be an efficient way of engineering the graphene edge with metal atoms. Electronic supplementary information (ESI) available: Additional Figures for characterization of mono-layer CVD graphene samples with free edges and Pt atoms decorations and analysis of the effect of electron irradiation; supporting movie on edge evolution. See DOI: 10.1039/c2nr00059h

  19. A Statistical Framework for Protein Quantitation in Bottom-Up MS-Based Proteomics

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

    Karpievitch, Yuliya; Stanley, Jeffrey R.; Taverner, Thomas

    2009-08-15

    Motivation: Quantitative mass spectrometry-based proteomics requires protein-level estimates and associated confidence measures. Challenges include the presence of low quality or incorrectly identified peptides and informative missingness. Furthermore, models are required for rolling peptide-level information up to the protein level. Results: We present a statistical model that carefully accounts for informative missingness in peak intensities and allows unbiased, model-based, protein-level estimation and inference. The model is applicable to both label-based and label-free quantitation experiments. We also provide automated, model-based, algorithms for filtering of proteins and peptides as well as imputation of missing values. Two LC/MS datasets are used to illustrate themore » methods. In simulation studies, our methods are shown to achieve substantially more discoveries than standard alternatives. Availability: The software has been made available in the opensource proteomics platform DAnTE (http://omics.pnl.gov/software/). Contact: adabney@stat.tamu.edu Supplementary information: Supplementary data are available at Bioinformatics online.« less

  20. QUAST: quality assessment tool for genome assemblies.

    PubMed

    Gurevich, Alexey; Saveliev, Vladislav; Vyahhi, Nikolay; Tesler, Glenn

    2013-04-15

    Limitations of genome sequencing techniques have led to dozens of assembly algorithms, none of which is perfect. A number of methods for comparing assemblers have been developed, but none is yet a recognized benchmark. Further, most existing methods for comparing assemblies are only applicable to new assemblies of finished genomes; the problem of evaluating assemblies of previously unsequenced species has not been adequately considered. Here, we present QUAST-a quality assessment tool for evaluating and comparing genome assemblies. This tool improves on leading assembly comparison software with new ideas and quality metrics. QUAST can evaluate assemblies both with a reference genome, as well as without a reference. QUAST produces many reports, summary tables and plots to help scientists in their research and in their publications. In this study, we used QUAST to compare several genome assemblers on three datasets. QUAST tables and plots for all of them are available in the Supplementary Material, and interactive versions of these reports are on the QUAST website. http://bioinf.spbau.ru/quast . Supplementary data are available at Bioinformatics online.

  1. Biologically inspired EM image alignment and neural reconstruction.

    PubMed

    Knowles-Barley, Seymour; Butcher, Nancy J; Meinertzhagen, Ian A; Armstrong, J Douglas

    2011-08-15

    Three-dimensional reconstruction of consecutive serial-section transmission electron microscopy (ssTEM) images of neural tissue currently requires many hours of manual tracing and annotation. Several computational techniques have already been applied to ssTEM images to facilitate 3D reconstruction and ease this burden. Here, we present an alternative computational approach for ssTEM image analysis. We have used biologically inspired receptive fields as a basis for a ridge detection algorithm to identify cell membranes, synaptic contacts and mitochondria. Detected line segments are used to improve alignment between consecutive images and we have joined small segments of membrane into cell surfaces using a dynamic programming algorithm similar to the Needleman-Wunsch and Smith-Waterman DNA sequence alignment procedures. A shortest path-based approach has been used to close edges and achieve image segmentation. Partial reconstructions were automatically generated and used as a basis for semi-automatic reconstruction of neural tissue. The accuracy of partial reconstructions was evaluated and 96% of membrane could be identified at the cost of 13% false positive detections. An open-source reference implementation is available in the Supplementary information. seymour.kb@ed.ac.uk; douglas.armstrong@ed.ac.uk Supplementary data are available at Bioinformatics online.

  2. Microbial sequences retrieved from environmental samples from seasonal arctic snow and meltwater from Svalbard, Norway.

    PubMed

    Larose, Catherine; Berger, Sibel; Ferrari, Christophe; Navarro, Elisabeth; Dommergue, Aurélien; Schneider, Dominique; Vogel, Timothy M

    2010-03-01

    16S rRNA gene (rrs) clone libraries were constructed from two snow samples (May 11, 2007 and June 7, 2007) and two meltwater samples collected during the spring of 2007 in Svalbard, Norway (79 degrees N). The libraries covered 19 different microbial classes, including Betaproteobacteria (21.3%), Sphingobacteria (16.4%), Flavobacteria (9.0%), Acidobacteria (7.7%) and Alphaproteobacteria (6.5%). Significant differences were detected between the two sets of sample libraries. First, the meltwater libraries had the highest community richness (Chao1: 103.2 and 152.2) and Shannon biodiversity indices (between 3.38 and 3.59), when compared with the snow libraries (Chao1: 14.8 and 59.7; Shannon index: 1.93 and 3.01). Second, integral-LIBSHUFF analyses determined that the bacterial communities in the snow libraries were significantly different from those of the meltwater libraries. Despite these differences, our data also support the theory that a common core group of microbial populations exist within a variety of cryohabitats. Electronic supplementary material The online version of this article (doi:10.1007/s00792-009-0299-2) contains supplementary material, which is available to authorized users.

  3. Transcription factor-based modulation of neural stem cell differentiation using direct protein transduction

    PubMed Central

    Stock, Kristin; Nolden, Lars; Edenhofer, Frank; Quandel, Tamara

    2010-01-01

    In contrast to conventional gene transfer strategies, the direct introduction of recombinant proteins into cells bypasses the risk of insertional mutagenesis and offers an alternative to genetic intervention. Here, we explore whether protein transduction of the gliogenic transcription factor Nkx2.2 can be used to promote oligodendroglial differentiation of mouse embryonic stem cell (ESC)-derived neural stem cells (NSC). To that end, a recombinant cell-permeant form of Nkx2.2 protein was generated. Exposure of ESC-derived NSC to the recombinant protein and initiation of differentiation resulted in a two-fold increase in the number of oligodendrocytes. Furthermore, Nkx2.2-transduced cells exhibited a more mature oligodendroglial phenotype. Comparative viral gene transfer studies showed that the biological effect of Nkx2.2 protein transduction is comparable to that obtained by lentiviral transduction. The results of this proof-of-concept study depict direct intracellular delivery of transcription factors as alternative modality to control lineage differentiation in NSC cultures without genetic modification. Electronic supplementary material The online version of this article (doi:10.1007/s00018-010-0347-1) contains supplementary material, which is available to authorized users. PMID:20352468

  4. On the map: Nature and Science editorials.

    PubMed

    Waaijer, Cathelijn J F; van Bochove, Cornelis A; van Eck, Nees Jan

    2011-01-01

    Bibliometric mapping of scientific articles based on keywords and technical terms in abstracts is now frequently used to chart scientific fields. In contrast, no significant mapping has been applied to the full texts of non-specialist documents. Editorials in Nature and Science are such non-specialist documents, reflecting the views of the two most read scientific journals on science, technology and policy issues. We use the VOSviewer mapping software to chart the topics of these editorials. A term map and a document map are constructed and clusters are distinguished in both of them. The validity of the document clustering is verified by a manual analysis of a sample of the editorials. This analysis confirms the homogeneity of the clusters obtained by mapping and augments the latter with further detail. As a result, the analysis provides reliable information on the distribution of the editorials over topics, and on differences between the journals. The most striking difference is that Nature devotes more attention to internal science policy issues and Science more to the political influence of scientists. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s11192-010-0205-9) contains supplementary material, which is available to authorized users.

  5. The SsgA-like proteins in actinomycetes: small proteins up to a big task

    PubMed Central

    Traag, Bjørn A.

    2008-01-01

    Several unique protein families have been identified that play a role in the control of developmental cell division in streptomycetes. The SsgA-like proteins or SALPs, of which streptomycetes typically have at least five paralogues, control specific steps of sporulation-specific cell division in streptomycetes, affecting cell wall-related events such as septum localization and synthesis, thickening of the spore wall and autolytic spore separation. The expression level of SsgA, the best studied SALP, has a rather dramatic effect on septation and on hyphal morphology, which is not only of relevance for our understanding of (developmental) cell division but has also been succesfully applied in industrial fermentation, to improve growth and production of filamentous actinomycetes. Recent observations suggest that SsgB most likely is the archetypal SALP, with only SsgB orthologues occurring in all morphologically complex actinomycetes. Here we review 10 years of research on the SsgA-like proteins in actinomycetes and discuss the most interesting regulatory, functional, phylogenetic and applied aspects of this relatively unknown protein family. Electronic supplementary material The online version of this article (doi:10.1007/s10482-008-9225-3) contains supplementary material, which is available to authorized users. PMID:18273689

  6. Factors influencing societal response of nanotechnology: an expert stakeholder analysis.

    PubMed

    Gupta, Nidhi; Fischer, Arnout R H; van der Lans, Ivo A; Frewer, Lynn J

    2012-05-01

    Nanotechnology can be described as an emerging technology and, as has been the case with other emerging technologies such as genetic modification, different socio-psychological factors will potentially influence societal responses to its development and application. These factors will play an important role in how nanotechnology is developed and commercialised. This article aims to identify expert opinion on factors influencing societal response to applications of nanotechnology. Structured interviews with experts on nanotechnology from North West Europe were conducted using repertory grid methodology in conjunction with generalized Procrustes analysis to examine the psychological constructs underlying societal uptake of 15 key applications of nanotechnology drawn from different areas (e.g. medicine, agriculture and environment, chemical, food, military, sports, and cosmetics). Based on expert judgement, the main factors influencing societal response to different applications of nanotechnology will be the extent to which applications are perceived to be beneficial, useful, and necessary, and how 'real' and physically close to the end-user these applications are perceived to be by the public. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s11051-012-0857-x) contains supplementary material, which is available to authorized users.

  7. Numerical Hydrodynamics in Special Relativity.

    PubMed

    Martí, J M; Müller, E

    1999-01-01

    This review is concerned with a discussion of numerical methods for the solution of the equations of special relativistic hydrodynamics (SRHD). Particular emphasis is put on a comprehensive review of the application of high-resolution shock-capturing methods in SRHD. Results obtained with different numerical SRHD methods are compared, and two astrophysical applications of SRHD flows are discussed. An evaluation of the various numerical methods is given and future developments are analyzed. Supplementary material is available for this article at 10.12942/lrr-1999-3.

  8. Magnesium, zinc, aluminium and gallium hydride complexes of the transition metals† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cc05702k

    PubMed Central

    Butler, Michael J.

    2017-01-01

    The preparation and applications of heterobimetallic complexes continue to occupy researchers in the fields of organometallic, main group, and coordination chemistry. This interest stems from the promise these complexes hold as precursors to materials, reagents in synthesis and as new catalysis. Here we survey and organise the state-of-the-art understanding of the TM–H–M linkage (M = Mg, Zn, Al, Ga). We discuss the structure and bonding in these complexes, their known reactivity, and their largely unrealised potential in catalysis. PMID:28070586

  9. NSLS-II beamline scattered gas bremsstrahlung radiation shielding calculation

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

    Popescu, Razvan; Xia, Zhenghua, E-mail: xiazhenghuacn@hotmail.com; Job, Panakkal

    2016-07-27

    National Synchrotron Light Source II (NSLS-II) is a new state-of-the-art 3rd generation synchrotron. The NSLS-II facility is shielded up to 3 GeV electron beam energy at 500 mA. When the gas bremsstrahlung (GB) from the storage ring is scattered by the beamline components in the first optical enclosure (FOE), the scattered radiation will pose additional radiation hazard (bypassing primary GB collimators and stops) and challenge the FOE shielding. The scattered GB radiation hazard can be mitigated by supplementary shielding or with an exclusion zone downstream of the FOE.

  10. Intramolecular interactions in the polar headgroup of sphingosine: serinol† †Electronic supplementary information (ESI) available: Ab initio parameters for serinol conformers within 1000 cm–1, measured transition frequencies, typical a-type transition for conformer aa1, interconversion barriers and possible tunnelling pathways. See DOI: 10.1039/c5cc09423b Click here for additional data file.

    PubMed Central

    Loru, Donatella; Peña, Isabel; Alonso, José L.

    2016-01-01

    The intramolecular interactions in the lipid sphingosine have been elucidated through the investigation of the amino alcohol serinol which mimics its polar headgroup. Intricate networks of intramolecular hydrogen bonds involving the hydroxyl groups and the amino group contribute to the stabilisation of five different conformations observed in the broadband rotational spectrum. PMID:26727395

  11. Small hive beetles survive in honeybee prisons by behavioural mimicry

    NASA Astrophysics Data System (ADS)

    Ellis, J. D.; Pirk, C. W. W.; Hepburn, H. R.; Kastberger, G.; Elzen, P. J.

    2002-05-01

    We report the results of a simple experiment to determine whether honeybees feed their small hive beetle nest parasites. Honeybees incarcerate the beetles in cells constructed of plant resins and continually guard them. The longevity of incarcerated beetles greatly exceeds their metabolic reserves. We show that survival of small hive beetles derives from behavioural mimicry by which the beetles induce the bees to feed them trophallactically. Electronic supplementary material to this paper can be obtained by using the Springer LINK server located at htpp://dx.doi.org/10.1007/s00114-002-0326-y.

  12. Mechanical energy storage performance of an aluminum fumarate metal–organic framework† †Electronic supplementary information (ESI) available: Experimental procedures, X-ray diffraction, and molecular simulation. See DOI: 10.1039/c5sc02794b

    PubMed Central

    Vanduyfhuys, Louis; Alvarez, Elsa; Rodriguez, Julien; Itié, Jean-Paul; Fabry, Paul; Guillou, Nathalie; Devic, Thomas; Beurroies, Isabelle; Llewellyn, Philip L.; Van Speybroeck, Veronique; Serre, Christian; Maurin, Guillaume

    2016-01-01

    The aluminum fumarate MOF A520 or MIL-53–FA is revealed to be a promising material for mechanical energy-related applications with performances in terms of work and heat energies which surpass those of any porous solids reported so far. Complementary experimental and computational tools are deployed to finely characterize and understand the pressure-induced structural transition at the origin of these unprecedented levels of performance. PMID:29861993

  13. Analysis of the symbiotic star AG Pegasi

    NASA Technical Reports Server (NTRS)

    Keyes, C. D.; Plavec, M. J.

    1981-01-01

    High and low dispersion IUE data are analyzed in conjunction with coincident ground based spectrophotometric scans and supplementary infrared photometry of the symbiotic object AG Pegasi. The IUE observations yield an improved value of E(B-V) = 0.12. The two stellar components are easily recognized in the spectra. The cool component may be an M1.7 III star and the hot component appears to have T (sub eff) of approximately 30000 K. The emission lines observed in the ultraviolet indicate two or three distince emitting regions. Nebular component ultraviolet intercombination lines suggest an electron density of several times 10 billion/cu cm.

  14. 18 CFR 706.405 - Supplementary statements.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 18 Conservation of Power and Water Resources 2 2011-04-01 2011-04-01 false Supplementary statements. 706.405 Section 706.405 Conservation of Power and Water Resources WATER RESOURCES COUNCIL... Supplementary statements. Changes in, or additions to, the information contained in an employee's statement of...

  15. 18 CFR 706.405 - Supplementary statements.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 18 Conservation of Power and Water Resources 2 2010-04-01 2010-04-01 false Supplementary statements. 706.405 Section 706.405 Conservation of Power and Water Resources WATER RESOURCES COUNCIL... Supplementary statements. Changes in, or additions to, the information contained in an employee's statement of...

  16. 18 CFR 706.405 - Supplementary statements.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 18 Conservation of Power and Water Resources 2 2014-04-01 2014-04-01 false Supplementary statements. 706.405 Section 706.405 Conservation of Power and Water Resources WATER RESOURCES COUNCIL... Supplementary statements. Changes in, or additions to, the information contained in an employee's statement of...

  17. 20 CFR 416.2060 - Mandatory minimum supplementary payments not applicable.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 20 Employees' Benefits 2 2011-04-01 2011-04-01 false Mandatory minimum supplementary payments not applicable. 416.2060 Section 416.2060 Employees' Benefits SOCIAL SECURITY ADMINISTRATION SUPPLEMENTAL... § 416.2060 Mandatory minimum supplementary payments not applicable. An individual eligible for mandatory...

  18. 20 CFR 416.2060 - Mandatory minimum supplementary payments not applicable.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 20 Employees' Benefits 2 2013-04-01 2013-04-01 false Mandatory minimum supplementary payments not applicable. 416.2060 Section 416.2060 Employees' Benefits SOCIAL SECURITY ADMINISTRATION SUPPLEMENTAL... § 416.2060 Mandatory minimum supplementary payments not applicable. An individual eligible for mandatory...

  19. 20 CFR 416.2060 - Mandatory minimum supplementary payments not applicable.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 20 Employees' Benefits 2 2012-04-01 2012-04-01 false Mandatory minimum supplementary payments not applicable. 416.2060 Section 416.2060 Employees' Benefits SOCIAL SECURITY ADMINISTRATION SUPPLEMENTAL... § 416.2060 Mandatory minimum supplementary payments not applicable. An individual eligible for mandatory...

  20. 20 CFR 416.2060 - Mandatory minimum supplementary payments not applicable.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 20 Employees' Benefits 2 2014-04-01 2014-04-01 false Mandatory minimum supplementary payments not applicable. 416.2060 Section 416.2060 Employees' Benefits SOCIAL SECURITY ADMINISTRATION SUPPLEMENTAL... § 416.2060 Mandatory minimum supplementary payments not applicable. An individual eligible for mandatory...

  1. 12 CFR 567.11 - Reservation of authority.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... part. (c)(1) Reservation of authority. Notwithstanding the definitions of core and supplementary... capital instrument constitutes or may constitute core or supplementary capital, and may permit one or more... capital instrument as core or supplementary capital, permanently or on a temporary basis, for the purposes...

  2. 28 CFR 51.39 - Supplementary submissions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 28 Judicial Administration 2 2010-07-01 2010-07-01 false Supplementary submissions. 51.39 Section 51.39 Judicial Administration DEPARTMENT OF JUSTICE (CONTINUED) PROCEDURES FOR THE ADMINISTRATION OF SECTION 5 OF THE VOTING RIGHTS ACT OF 1965, AS AMENDED Processing of Submissions § 51.39 Supplementary...

  3. 18 CFR 401.122 - Supplementary details.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 18 Conservation of Power and Water Resources 2 2011-04-01 2011-04-01 false Supplementary details. 401.122 Section 401.122 Conservation of Power and Water Resources DELAWARE RIVER BASIN COMMISSION ADMINISTRATIVE MANUAL RULES OF PRACTICE AND PROCEDURE General Provisions § 401.122 Supplementary details. Forms...

  4. Non-metal single/dual doped carbon quantum dots: a general flame synthetic method and electro-catalytic properties

    NASA Astrophysics Data System (ADS)

    Han, Yuzhi; Tang, Di; Yang, Yanmei; Li, Chuanxi; Kong, Weiqian; Huang, Hui; Liu, Yang; Kang, Zhenhui

    2015-03-01

    A combustion flame method is developed for the convenient and scalable fabrication of single- and dual-doped carbon quantum dots (CQDs) (N-CQDs, B-CQDs, P-CQDs, and S-CQDs and dual-doped B,N-CQDs, P,N-CQDs, and S,N-CQDs), and the doping contents can be easily adjusted by simply changing the concentrations of precursors in ethanol. These single/dual-doped CQDs, especially B,N-CQDs, show high catalytic activities for the oxygen reduction reaction.A combustion flame method is developed for the convenient and scalable fabrication of single- and dual-doped carbon quantum dots (CQDs) (N-CQDs, B-CQDs, P-CQDs, and S-CQDs and dual-doped B,N-CQDs, P,N-CQDs, and S,N-CQDs), and the doping contents can be easily adjusted by simply changing the concentrations of precursors in ethanol. These single/dual-doped CQDs, especially B,N-CQDs, show high catalytic activities for the oxygen reduction reaction. Electronic supplementary information (ESI) available: TEM images, UV-Vis absorption, PL, Raman, FTIR, XPS, CV, and LSV data of single/dual doped CQDs, a table for the calculated mass concentrations of different atoms in various B, N, P or S containing CQDs and a table for summary of the ORR performance of various catalysts in an O2-saturated 0.1 M KOH solution. See DOI: 10.1039/c4nr07116f

  5. White Matter Glial Pathology in Autism

    DTIC Science & Technology

    2014-09-01

    Autism 5a. CONTRACT NUMBER 5b. GRANT NUMBER W81XWH-12-1-0302 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Gregory A. Ordway...Unlimited 13. SUPPLEMENTARY NOTES 14. ABSTRACT Methods used to directly study the autism brain include brain imaging in living patients and...pathology studies using postmortem brain tissues from deceased autism spectrum disorder (ASD) donors. These methods typically focus on brain regions

  6. An Object-Oriented Classification Method on High Resolution Satellite Data

    DTIC Science & Technology

    2004-11-01

    25th ACRS 2004 Chiang Mai , Thailand 347 Data Processing B-4.6 AN OBJECT-ORIENTED CLASSIFICATION METHOD ON...unlimited 13. SUPPLEMENTARY NOTES Proceedings of the 25th Asian Conference on Remote Sensing, Held in Chiang Mai , Thailand on 22-26 November 2004...panchromatic (left) and multispectral (right) 25th ACRS 2004 Chiang Mai , Thailand 349 Data Processing B-4.6 First of all, the

  7. The Acquisition of Mathematics Pedagogical Content Knowledge in University Mathematics Education Courses: Results of a Mixed Methods Study on the Effectiveness of Teacher Education in Germany

    ERIC Educational Resources Information Center

    Buchholtz, Nils Frederik

    2017-01-01

    This paper reports on a longitudinal mixed methods evaluation study on the acquisition and development of mathematical pedagogical content knowledge (MPCK) of future teachers at several German universities. The study is a German supplementary study to the international comparative TEDS-M 2008 study. Besides the pedagogical content knowledge that…

  8. Relative roles of grey squirrels, supplementary feeding, and habitat in shaping urban bird assemblages.

    PubMed

    Bonnington, Colin; Gaston, Kevin J; Evans, Karl L

    2014-01-01

    Non-native species are frequently considered to influence urban assemblages. The grey squirrel Sciurus carolinensis is one such species that is widespread in the UK and is starting to spread across Europe; it predates birds' nests and can compete with birds for supplementary food. Using distance sampling across the urbanisation intensity gradient in Sheffield (UK) we test whether urban grey squirrels influence avian species richness and density through nest predation and competition for supplementary food sources. We also assess how urban bird assemblages respond to supplementary feeding. We find that grey squirrels slightly reduced the abundance of breeding bird species most sensitive to squirrel nest predation by reducing the beneficial impact of woodland cover. There was no evidence that grey squirrel presence altered relationships between supplementary feeding and avian assemblage structure. This may be because, somewhat surprisingly, supplementary feeding was not associated with the richness or density of wintering bird assemblages. These associations were positive during the summer, supporting advocacy to feed birds during the breeding season and not just winter, but explanatory capacity was limited. The amount of green space and its quality, assessed as canopy cover, had a stronger influence on avian species richness and population size than the presence of grey squirrels and supplementary feeding stations. Urban bird populations are thus more likely to benefit from investment in improving the availability of high quality habitats than controlling squirrel populations or increased investment in supplementary feeding.

  9. Relative Roles of Grey Squirrels, Supplementary Feeding, and Habitat in Shaping Urban Bird Assemblages

    PubMed Central

    Bonnington, Colin; Gaston, Kevin J.; Evans, Karl L.

    2014-01-01

    Non-native species are frequently considered to influence urban assemblages. The grey squirrel Sciurus carolinensis is one such species that is widespread in the UK and is starting to spread across Europe; it predates birds’ nests and can compete with birds for supplementary food. Using distance sampling across the urbanisation intensity gradient in Sheffield (UK) we test whether urban grey squirrels influence avian species richness and density through nest predation and competition for supplementary food sources. We also assess how urban bird assemblages respond to supplementary feeding. We find that grey squirrels slightly reduced the abundance of breeding bird species most sensitive to squirrel nest predation by reducing the beneficial impact of woodland cover. There was no evidence that grey squirrel presence altered relationships between supplementary feeding and avian assemblage structure. This may be because, somewhat surprisingly, supplementary feeding was not associated with the richness or density of wintering bird assemblages. These associations were positive during the summer, supporting advocacy to feed birds during the breeding season and not just winter, but explanatory capacity was limited. The amount of green space and its quality, assessed as canopy cover, had a stronger influence on avian species richness and population size than the presence of grey squirrels and supplementary feeding stations. Urban bird populations are thus more likely to benefit from investment in improving the availability of high quality habitats than controlling squirrel populations or increased investment in supplementary feeding. PMID:25338062

  10. Extending Supplementary Feeding for Children Under Five with Moderate Acute Malnutrition Leads to Lower Relapse Rates

    PubMed Central

    Trehan, Indi; Banerjee, Somalee; Murray, Ellen; Ryan, Kelsey N.; Thakwalakwa, Chrissie; Maleta, Kenneth M.; Manary, Mark J.

    2014-01-01

    Objectives Children with moderate acute malnutrition (MAM) have a high rate of relapse and death in the year following recovery. In this pilot study, we evaluate the long-term benefits of an extended course of nutritional therapy for children with MAM. Methods Rural Malawian children 6-59 months old with MAM, defined as a weight-for-height Z-score (WHZ) between -2 and -3, were provided supplementary feeding for a fixed duration of 12 weeks. The children were then followed for 12 months to assess long-term nutritional status, and compared to children initially treated only until they first reached WHZ > -2. Results Compared to children treated until they reached WHZ > -2, children treated for 12 weeks were more likely to remain well-nourished (71% vs. 63%, P = 0.0015) and maintain more normal anthropometric indices during 12 months of follow-up; there was also a trend towards lower rates of severe acute malnutrition (7% vs. 10%, P = 0.067) and death (2% vs. 4%, P = 0.082). Regression modeling showed that mid-upper arm circumference and WHZ at the end of supplementary feeding were the most important factors in predicting which children remained well-nourished (P < 0.001 for each). Conclusions The duration of supplementary feeding for children with MAM may not be as important as their anthropometry in terms of remaining well-nourished after initial recovery. The currently accepted recovery criteria of WHZ of -2 may be insufficient for ensuring long-term nutritional health; consideration should be given to setting higher recovery criteria. PMID:25419681

  11. 19 CFR 200.735-117 - Supplementary statements.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... under this section, each employee shall at all times avoid acquiring a financial interest that could... CONDUCT Provisions Governing Statements of Employment and Financial Interests § 200.735-117 Supplementary... and financial interests shall be reported in a supplementary statement as of June 30 each year. If no...

  12. Mineral oil certified reference materials for the determination of polychlorinated biphenyls from the National Metrology Institute of Japan (NMIJ)

    PubMed Central

    Aoyagi, Yoshie; Matsuo, Mayumi; Ishikawa, Keiichiro; Hanari, Nobuyasu; Otsuka, Satoko; Tsuda, Yoko; Yarita, Takashi

    2008-01-01

    Four mineral oil certified reference materials (CRMs), NMIJ CRM 7902-a, CRM 7903-a, CRM 7904-a, and CRM 7905-a, have been issued by the National Metrology Institute of Japan, which is part of the National Institute of Advanced Industrial Science and Technology (NMIJ/AIST), for the determination of polychlorinated biphenyls (PCBs). The raw materials for the CRMs were an insulation oil (CRM 7902-a and CRM 7903-a) and a fuel oil (CRM7904-a and CRM 7905-a). A solution of PCB3, PCB8, and technical PCB products, comprising four types of Kaneclor, was added to the oil matrices. The total PCB concentrations in the PCB-fortified oils (CRM 7902-a and CRM 7904-a) are approximately 6 mg kg−1. In addition, the mineral oils which were not fortified with PCBs were also distributed as CRMs (CRM 7903-a and CRM 7905-a). Characterization of these CRMs was conducted by the NMIJ/AIST, where the mineral oils and the PCB solution were analyzed using multiple analytical methods such as dimethylsulfoxide extraction, normal-phase liquid chromatography, gel permeation chromatography, reversed-phase liquid chromatography, and chromatography using sulfoxide-bonded silica; and/or various capillary columns for gas chromatography, and two ionization modes for mass spectrometry. The target compounds in the mineral oils and those in the PCB solution were determined by one of the primary methods of measurement, isotope dilution–mass spectrometry (ID-MS). Certified values have been provided for 11 PCB congeners (PCB3, 8, 28, 52, 101, 118, 138, 153, 180, 194, and 206) in the CRMs. These CRMs have information values for PCB homologue concentrations determined by using a Japanese official method for determination of PCBs in wastes and densities determined with an oscillational density meter. Because oil samples having arbitrary PCB concentrations between respective property values of the PCB-fortified and nonfortified CRMs can be prepared by gravimetric mixing of the CRM pairs, these CRMs can be used for validation of PCB analyses using various instruments which have different sensitivities. Figure Preparation and certification processes of the mineral oil CRMs (example shown is polychlorinated biphenyls in insulation oil, high/low concentrations) Electronic supplementary material The online version of this article (doi:10.1007/s00216-008-2010-3) contains supplementary material, which is available to authorized users. PMID:18415091

  13. 76 FR 39771 - Special Local Regulations for Marine Events; Lake Gaston, Enterprise, NC

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-07-07

    ..., Program Manager, Docket Operations, telephone 202-366-9826. SUPPLEMENTARY INFORMATION: Regulatory... the Waterview Restaurant. A fleet of spectator vessels are expected to gather near the event site to..., design, or operation; test methods; sampling procedures; and related management systems practices) that...

  14. 78 FR 22040 - Proposed Collection; Comment Request for Revenue Procedure 2001-24

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-04-12

    ... comments concerning Revenue Procedure 2001-24, Advanced Insurance Commissions. DATES: Written [email protected] . SUPPLEMENTARY INFORMATION: Title: Advanced Insurance Commissions. OMB Number: 1545-1736... consent to change its method of accounting for cash advances on commissions paid to its agents must agree...

  15. 78 FR 25627 - Energy Conservation Program for Certain Industrial Equipment: Energy Conservation Standards for...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-05-02

    ...-fired furnaces, Underwriters Laboratories (UL) Standard 727-1994, ``Standard for Safety for Oil-Fired... supplementary method called a catalog teardown (or ``virtual teardown'') uses published manufacturer catalogs... similar products and in manufacturer literature and information, to estimate the costs using virtual...

  16. 76 FR 2199 - Locomotive Safety Standards

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-01-12

    ... to Docket No. FRA-2009-0095, may be submitted by any of the following methods: Web Site: Federal e... Avenue, SE., Washington, DC (telephone 202-493-6037). SUPPLEMENTARY INFORMATION: I. Statutory and... Canadian-based locomotives equipped with 26- L type brake systems and air dryers. The waiver also requires...

  17. 75 FR 28098 - Agency Information Collection Activities: Notice of Request for Extension of Currently Approved...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-05-19

    ... studying crashes using case-control methods including the Grand Rapids study, (Borkenstein, R.F., Crowther... Federal holidays. SUPPLEMENTARY INFORMATION: Title: Motorcycle Crash Causation Study and Pilot Motorcycle Crash Causes and Outcomes Study. OMB Control #: 2125-0619. Background: Motorcycle injuries and...

  18. 75 FR 38975 - Proposed Information Collection; Comment Request; Foreign Fishing Reporting Requirements

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-07-07

    ... Collection; Comment Request; Foreign Fishing Reporting Requirements AGENCY: National Oceanic and Atmospheric...-2276 or [email protected] . SUPPLEMENTARY INFORMATION: I. Abstract Foreign fishing activities can be.... II. Method of Collection Activity reports are made by radio when fishing begins or ceases, to report...

  19. 75 FR 7368 - Closed Captioning of Video Programming

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-02-19

    ... Captioning of Video Programming AGENCY: Federal Communications Commission. ACTION: Final rule. SUMMARY: In this document, the Commission amends the closed captioning rules to add another method by which video... . SUPPLEMENTARY INFORMATION: This is a summary of the Commission's document FCC 09-109, Closed Captioning of Video...

  20. 48 CFR 970.1706 - Management and operating contracts.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Management and operating contracts. 970.1706 Section 970.1706 Federal Acquisition Regulations System DEPARTMENT OF ENERGY AGENCY SUPPLEMENTARY REGULATIONS DOE MANAGEMENT AND OPERATING CONTRACTS Special Contracting Methods 970.1706 Management and operating contracts...

  1. Evaluating statistical approaches to leverage large clinical datasets for uncovering therapeutic and adverse medication effects.

    PubMed

    Choi, Leena; Carroll, Robert J; Beck, Cole; Mosley, Jonathan D; Roden, Dan M; Denny, Joshua C; Van Driest, Sara L

    2018-04-18

    Phenome-wide association studies (PheWAS) have been used to discover many genotype-phenotype relationships and have the potential to identify therapeutic and adverse drug outcomes using longitudinal data within electronic health records (EHRs). However, the statistical methods for PheWAS applied to longitudinal EHR medication data have not been established. In this study, we developed methods to address two challenges faced with reuse of EHR for this purpose: confounding by indication, and low exposure and event rates. We used Monte Carlo simulation to assess propensity score (PS) methods, focusing on two of the most commonly used methods, PS matching and PS adjustment, to address confounding by indication. We also compared two logistic regression approaches (the default of Wald vs. Firth's penalized maximum likelihood, PML) to address complete separation due to sparse data with low exposure and event rates. PS adjustment resulted in greater power than propensity score matching, while controlling Type I error at 0.05. The PML method provided reasonable p-values, even in cases with complete separation, with well controlled Type I error rates. Using PS adjustment and the PML method, we identify novel latent drug effects in pediatric patients exposed to two common antibiotic drugs, ampicillin and gentamicin. R packages PheWAS and EHR are available at https://github.com/PheWAS/PheWAS and at CRAN (https://www.r-project.org/), respectively. The R script for data processing and the main analysis is available at https://github.com/choileena/EHR. leena.choi@vanderbilt.edu. Supplementary data are available at Bioinformatics online.

  2. Computational analysis of the solvation of coffee ingredients in aqueous ionic liquid mixtures† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ra24736a Click here for additional data file.

    PubMed Central

    Zeindlhofer, Veronika; Khlan, Diana; Bica, Katharina

    2017-01-01

    In this paper, we investigate the solvation of coffee ingredients including caffeine, gallic acid as representative for phenolic compounds and quercetin as representative for flavonoids in aqueous mixtures of the ionic liquid 1-ethyl-3-methylimidazolium acetate [C2mim][OAc] at various concentrations. Due to the anisotropy of the solutes we show that classical Kirkwood–Buff theory is not appropriate to study solvation effects with increasing ionic liquid content. However, excess coordination numbers as well as the mean residence time of solvent molecules at the surface of the solutes can be determined by Voronoi tessellation. Since the volume of the hydration shells is also available by this method, solvation free energies will be discussed as a function of the ionic liquid concentration to yield a physical meaningful picture of solvation for the anisotropic solutes. Hydrogen bonding capabilities of the solutes and their relevance for experimental extraction yields from spent coffee grounds are also discussed. PMID:28496974

  3. Sexual Orientation and Gender Identity/Expression Related Peer Victimization in Adolescence: A Systematic Review of Associated Psychosocial and Health Outcomes

    PubMed Central

    Collier, Kate L.; van Beusekom, Gabriël; Bos, Henny M. W.; Sandfort, Theo G. M.

    2012-01-01

    This article reviews research on psychosocial and health outcomes associated with peer victimization related to adolescent sexual orientation and gender identity or expression. Using four electronic databases and supplementary methods, we identified 39 relevant studies. These studies were published between 1995 and 2012 and conducted in 12 different countries. The studies were diverse in terms of their approaches to sampling participants, assessing participants’ sexual orientation, operationalizing peer victimization, and with regard to the psychosocial and health outcomes studied in relation to peer victimization. Despite the methodological diversity across studies, there is fairly strong evidence that peer victimization related to sexual orientation and gender identity or expression is associated with a diminished sense of school belonging and higher levels of depressive symptoms; findings regarding the relationship between peer victimization and suicidality have been more mixed. Peer victimization related to sexual orientation and gender identity or expression is also associated with disruptions in educational trajectories, traumatic stress, and alcohol and substance use. Recommendations for future research and interventions are discussed. PMID:23480074

  4. Sexual orientation and gender identity/expression related peer victimization in adolescence: a systematic review of associated psychosocial and health outcomes.

    PubMed

    Collier, Kate L; van Beusekom, Gabriël; Bos, Henny M W; Sandfort, Theo G M

    2013-01-01

    This article reviews research on psychosocial and health outcomes associated with peer victimization related to adolescent sexual orientation and gender identity or expression. Using four electronic databases and supplementary methods, we identified 39 relevant studies. These studies were published between 1995 and 2012 and conducted in 12 different countries. The studies were diverse in terms of their approaches to sampling participants, assessing participants' sexual orientation, operationalizing peer victimization, and with regard to the psychosocial and health outcomes studied in relation to peer victimization. Despite the methodological diversity across studies, there is fairly strong evidence that peer victimization related to sexual orientation and gender identity or expression is associated with a diminished sense of school belonging and higher levels of depressive symptoms; findings regarding the relationship between peer victimization and suicidality have been more mixed. Peer victimization related to sexual orientation and gender identity or expression is also associated with disruptions in educational trajectories, traumatic stress, and alcohol and substance use. Recommendations for future research and interventions are discussed.

  5. Cross-cultural communication capabilities of U.S. military trainers: host nation perspective.

    PubMed

    Mahmood, Maysaa; Alameri, Ali; Jawad, Shakir; Alani, Yasir; Zuerlein, Scott; Nakano, Gregg; Anderson, Warner; Beadling, Charles

    2013-06-01

    A survey was conducted to assess trainee perception of the cross-cultural communication competency of U.S. military trainers and their satisfaction with the training they received. Findings from the survey show that U.S. military trainers rely significantly on local interpreters. This indicates variability in the ability of the trainers to communicate effectively with host nation partners, the variability being dependent on the capabilities of the individual interpreter. The findings illustrate the importance of providing military health personnel with training on how to work effectively with interpreters. The use of supplementary resources such as electronic translation devises when the interpreter is not capable of conveying health-related training information with the desired level of accuracy is recommended. Expanding the availability of general cultural training, which provides baseline information on local values, traditions, and customs in addition to health-specific cultural orientation, is also recommended to help military health trainers customize their training content and methods to fit the local environment. Reprint & Copyright © 2013 Association of Military Surgeons of the U.S.

  6. The photochemical thiol–ene reaction as a versatile method for the synthesis of glutathione S-conjugates targeting the bacterial potassium efflux system Kef† †Electronic supplementary information (ESI) available: Further experimental details and NMR spectra. See DOI: 10.1039/c5qo00436e Click here for additional data file.

    PubMed Central

    Rasmussen, Tim; Miller, Samantha; Booth, Ian R.

    2016-01-01

    The thiol–ene coupling reaction is emerging as an important conjugation reaction that is suitable for use in a biological setting. Here, we explore the utility of this reaction for the synthesis of glutathione-S-conjugates (GSX) and present a general, operationally simple, protocol with a wide substrate scope. The GSX afforded are an important class of compounds and provide invaluable molecular tools to study glutathione-binding proteins. In this study we apply the diverse library of GSX synthesised to further our understanding of the structural requirements for binding to the glutathione-binding protein, Kef, a bacterial K+ efflux system, found in many bacterial pathogens. This system is vital to the survival of bacteria upon exposure to electrophiles, and plays an essential role in the maintenance of intracellular pH and K+ homeostasis. Consequently, Kef is an appealing target for the development of novel antibacterial drugs. PMID:27110363

  7. Mussel-inspired functionalization of graphene for synthesizing Ag-polydopamine-graphene nanosheets as antibacterial materials

    NASA Astrophysics Data System (ADS)

    Zhang, Zhe; Zhang, Jing; Zhang, Bailin; Tang, Jilin

    2012-12-01

    Mussels have been shown to attach to virtually all types of inorganic and organic surfaces via their adhesive proteins. The adhesive proteins secreted by mussels contain high concentrations of catechol and amine functional groups, which have similar functional groups with polydopamine (PDA). Inspired by mussels, a mild and environmentally friendly method was used to synthesize Ag nanoparticles (Ag NPs) on functionalized PDA-graphene nanosheets (PDA-GNS) with uniform and high dispersion. First, a uniform layer of PDA was coated on graphene oxide (GO) by polymerizing dopamine (DA) at room temperature. During the process GO was reduced by the DA. The PDA layer on the surface of GNS can be used as a nanoscale guide to form uniform Ag NPs on the surface of PDA-GNS. The obtained Ag-PDA-GNS hybrid materials are characterized by atomic force microscopy, transmission electron microscopy, UV-vis spectroscopy, Raman spectroscopy, X-ray photo-electron spectroscopy, X-ray diffraction, and thermal gravimetric analysis. The resultant Ag-PDA-GNS hybrid materials exhibited strong antibacterial properties to both Gram-negative and Gram-positive bacteria due to the synergistic effect of GNS and Ag NPs.Mussels have been shown to attach to virtually all types of inorganic and organic surfaces via their adhesive proteins. The adhesive proteins secreted by mussels contain high concentrations of catechol and amine functional groups, which have similar functional groups with polydopamine (PDA). Inspired by mussels, a mild and environmentally friendly method was used to synthesize Ag nanoparticles (Ag NPs) on functionalized PDA-graphene nanosheets (PDA-GNS) with uniform and high dispersion. First, a uniform layer of PDA was coated on graphene oxide (GO) by polymerizing dopamine (DA) at room temperature. During the process GO was reduced by the DA. The PDA layer on the surface of GNS can be used as a nanoscale guide to form uniform Ag NPs on the surface of PDA-GNS. The obtained Ag-PDA-GNS hybrid materials are characterized by atomic force microscopy, transmission electron microscopy, UV-vis spectroscopy, Raman spectroscopy, X-ray photo-electron spectroscopy, X-ray diffraction, and thermal gravimetric analysis. The resultant Ag-PDA-GNS hybrid materials exhibited strong antibacterial properties to both Gram-negative and Gram-positive bacteria due to the synergistic effect of GNS and Ag NPs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c2nr32092d

  8. Fast metabolite identification with Input Output Kernel Regression

    PubMed Central

    Brouard, Céline; Shen, Huibin; Dührkop, Kai; d'Alché-Buc, Florence; Böcker, Sebastian; Rousu, Juho

    2016-01-01

    Motivation: An important problematic of metabolomics is to identify metabolites using tandem mass spectrometry data. Machine learning methods have been proposed recently to solve this problem by predicting molecular fingerprint vectors and matching these fingerprints against existing molecular structure databases. In this work we propose to address the metabolite identification problem using a structured output prediction approach. This type of approach is not limited to vector output space and can handle structured output space such as the molecule space. Results: We use the Input Output Kernel Regression method to learn the mapping between tandem mass spectra and molecular structures. The principle of this method is to encode the similarities in the input (spectra) space and the similarities in the output (molecule) space using two kernel functions. This method approximates the spectra-molecule mapping in two phases. The first phase corresponds to a regression problem from the input space to the feature space associated to the output kernel. The second phase is a preimage problem, consisting in mapping back the predicted output feature vectors to the molecule space. We show that our approach achieves state-of-the-art accuracy in metabolite identification. Moreover, our method has the advantage of decreasing the running times for the training step and the test step by several orders of magnitude over the preceding methods. Availability and implementation: Contact: celine.brouard@aalto.fi Supplementary information: Supplementary data are available at Bioinformatics online. PMID:27307628

  9. 5 CFR 843.308 - Supplementary benefits on death of a retiree.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 5 Administrative Personnel 2 2010-01-01 2010-01-01 false Supplementary benefits on death of a... SERVICE REGULATIONS (CONTINUED) FEDERAL EMPLOYEES RETIREMENT SYSTEM-DEATH BENEFITS AND EMPLOYEE REFUNDS Current and Former Spouse Benefits § 843.308 Supplementary benefits on death of a retiree. (a) Except as...

  10. 15 CFR 2.7 - Supplementary regulations.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 15 Commerce and Foreign Trade 1 2010-01-01 2010-01-01 false Supplementary regulations. 2.7 Section 2.7 Commerce and Foreign Trade Office of the Secretary of Commerce PROCEDURES FOR HANDLING AND... General Counsel for Finance and Litigation may from time to time issue such supplementary regulations or...

  11. 12 CFR 528.1a - Supplementary guidelines.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 12 Banks and Banking 5 2010-01-01 2010-01-01 false Supplementary guidelines. 528.1a Section 528.1a Banks and Banking OFFICE OF THRIFT SUPERVISION, DEPARTMENT OF THE TREASURY NONDISCRIMINATION REQUIREMENTS § 528.1a Supplementary guidelines. The Office's policy statement found at 12 CFR 528.9 supplements...

  12. 5 CFR 843.308 - Supplementary benefits on death of a retiree.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 5 Administrative Personnel 2 2014-01-01 2014-01-01 false Supplementary benefits on death of a... SERVICE REGULATIONS (CONTINUED) FEDERAL EMPLOYEES RETIREMENT SYSTEM-DEATH BENEFITS AND EMPLOYEE REFUNDS Current and Former Spouse Benefits § 843.308 Supplementary benefits on death of a retiree. (a) Except as...

  13. 5 CFR 843.308 - Supplementary benefits on death of a retiree.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 5 Administrative Personnel 2 2013-01-01 2013-01-01 false Supplementary benefits on death of a... SERVICE REGULATIONS (CONTINUED) FEDERAL EMPLOYEES RETIREMENT SYSTEM-DEATH BENEFITS AND EMPLOYEE REFUNDS Current and Former Spouse Benefits § 843.308 Supplementary benefits on death of a retiree. (a) Except as...

  14. Provocation of allergic response by supplementary feeds of cows' milk.

    PubMed Central

    Roberts, S A; Soothill, J F

    1982-01-01

    The postweaning IgE and IgG antiovalbumin antibody responses were greater in rat pups which had received a cows' milk-based supplementary feed than in litter mates which had not. This effect was antigen non-specific and might be similar to that of supplementary feeds in the development of atopy in human infants. The total IgE concentration was similar in the two groups. Supplementary feeds did not increase the low values of IgE antiovalbumin in rats suckled by mothers immunised to ovalbumin. PMID:7065708

  15. Molecular interactions between single layered MoS2 and biological molecules† †Electronic supplementary information (ESI) available: SFG data analysis methods, spectral fitting parameters, additional spectra, CD spectrum, and details about MD simulation methods. See DOI: 10.1039/c7sc04884j

    PubMed Central

    Xiao, Minyu; Wei, Shuai; Li, Yaoxin; Jasensky, Joshua; Chen, Junjie; Brooks, Charles L.

    2017-01-01

    Two-dimensional (2D) materials such as graphene, molybdenum disulfide (MoS2), tungsten diselenide (WSe2), and black phosphorous are being developed for sensing applications with excellent selectivity and high sensitivity. In such applications, 2D materials extensively interact with various analytes including biological molecules. Understanding the interfacial molecular interactions of 2D materials with various targets becomes increasingly important for the progression of better-performing 2D-material based sensors. In this research, molecular interactions between several de novo designed alpha-helical peptides and monolayer MoS2 have been studied. Molecular dynamics simulations were used to validate experimental data. The results suggest that, in contrast to peptide–graphene interactions, peptide aromatic residues do not interact strongly with the MoS2 surface. It is also found that charged amino acids are important for ensuring a standing-up pose for peptides interacting with MoS2. By performing site-specific mutations on the peptide, we could mediate the peptide–MoS2 interactions to control the peptide orientation on MoS2. PMID:29675220

  16. Uniform manganese hexacyanoferrate hydrate nanocubes featuring superior performance for low-cost supercapacitors and nonenzymatic electrochemical sensors

    NASA Astrophysics Data System (ADS)

    Pang, Huan; Zhang, Yizhou; Cheng, Tao; Lai, Wen-Yong; Huang, Wei

    2015-09-01

    Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity.Uniform manganese hexacyanoferrate hydrate nanocubes are prepared via a simple chemical precipitation method at room temperature. Due to both micro/mesopores of the Prussian blue analogue and nanocubic structures, the manganese hexacyanoferrate hydrate nanocubes allow the efficient charge transfer and mass transport for electrolyte solution and chemical species. Thus, the manganese hexacyanoferrate hydrate nanocube electrode shows a good rate capability and cycling stability for electrochemical capacitors. Furthermore, electrodes modified with manganese hexacyanoferrate hydrate nanocubes demonstrate a sensitive electrochemical response to hydrogen peroxide (H2O2) in buffer solutions with a high selectivity. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr04322k

  17. The effect of self-sorting and co-assembly on the mechanical properties of low molecular weight hydrogels

    NASA Astrophysics Data System (ADS)

    Colquhoun, Catherine; Draper, Emily R.; Eden, Edward G. B.; Cattoz, Beatrice N.; Morris, Kyle L.; Chen, Lin; McDonald, Tom O.; Terry, Ann E.; Griffiths, Peter C.; Serpell, Louise C.; Adams, Dave J.

    2014-10-01

    Self-sorting in low molecular weight hydrogels can be achieved using a pH triggered approach. We show here that this method can be used to prepare gels with different types of mechanical properties. Cooperative, disruptive or orthogonal assembled systems can be produced. Gels with interesting behaviour can be also prepared, for example self-sorted gels where delayed switch-on of gelation occurs. By careful choice of gelator, co-assembled structures can also be generated, which leads to synergistic strengthening of the mechanical properties.Self-sorting in low molecular weight hydrogels can be achieved using a pH triggered approach. We show here that this method can be used to prepare gels with different types of mechanical properties. Cooperative, disruptive or orthogonal assembled systems can be produced. Gels with interesting behaviour can be also prepared, for example self-sorted gels where delayed switch-on of gelation occurs. By careful choice of gelator, co-assembled structures can also be generated, which leads to synergistic strengthening of the mechanical properties. Electronic supplementary information (ESI) available: Full experimental and synthetic details for the dipeptides, full experimental descriptions, further NMR, single crystal diffraction data, fXRD data and SANS data. See DOI: 10.1039/c4nr04039b

  18. Real-time monitoring of enzyme-free strand displacement cascades by colorimetric assays

    NASA Astrophysics Data System (ADS)

    Duan, Ruixue; Wang, Boya; Hong, Fan; Zhang, Tianchi; Jia, Yongmei; Huang, Jiayu; Hakeem, Abdul; Liu, Nannan; Lou, Xiaoding; Xia, Fan

    2015-03-01

    The enzyme-free toehold-mediated strand displacement reaction has shown potential for building programmable DNA circuits, biosensors, molecular machines and chemical reaction networks. Here we report a simple colorimetric method using gold nanoparticles as signal generators for the real-time detection of the product of the strand displacement cascade. During the process the assembled gold nanoparticles can be separated, resulting in a color change of the solution. This assay can also be applied in complex mixtures, fetal bovine serum, and to detect single-base mismatches. These results suggest that this method could be of general utility to monitor more complex enzyme-free strand displacement reaction-based programmable systems or for further low-cost diagnostic applications.The enzyme-free toehold-mediated strand displacement reaction has shown potential for building programmable DNA circuits, biosensors, molecular machines and chemical reaction networks. Here we report a simple colorimetric method using gold nanoparticles as signal generators for the real-time detection of the product of the strand displacement cascade. During the process the assembled gold nanoparticles can be separated, resulting in a color change of the solution. This assay can also be applied in complex mixtures, fetal bovine serum, and to detect single-base mismatches. These results suggest that this method could be of general utility to monitor more complex enzyme-free strand displacement reaction-based programmable systems or for further low-cost diagnostic applications. Electronic supplementary information (ESI) available: Experimental procedures and analytical data are provided. See DOI: 10.1039/c5nr00697j

  19. Reusable glucose sensing using carbon nanotube-based self-assembly

    NASA Astrophysics Data System (ADS)

    Bhattacharyya, Tamoghna; Samaddar, Sarbani; Dasgupta, Anjan Kr.

    2013-09-01

    Lipid functionalized single walled carbon nanotube-based self assembly forms a super-micellar structure. This assemblage has been exploited to trap glucose oxidase in a molecular cargo for glucose sensing. The advantage of such a molecular trap is that all components of this unique structure (both the trapping shell and the entrapped enzyme) are reusable and rechargeable. The unique feature of this sensing method lies in the solid state functionalization of single walled carbon nanotubes that facilitates liquid state immobilization of the enzyme. The method can be used for soft-immobilization (a new paradigm in enzyme immobilization) of enzymes with better thermostability that is imparted by the strong hydrophobic environment provided through encapsulation by the nanotubes.Lipid functionalized single walled carbon nanotube-based self assembly forms a super-micellar structure. This assemblage has been exploited to trap glucose oxidase in a molecular cargo for glucose sensing. The advantage of such a molecular trap is that all components of this unique structure (both the trapping shell and the entrapped enzyme) are reusable and rechargeable. The unique feature of this sensing method lies in the solid state functionalization of single walled carbon nanotubes that facilitates liquid state immobilization of the enzyme. The method can be used for soft-immobilization (a new paradigm in enzyme immobilization) of enzymes with better thermostability that is imparted by the strong hydrophobic environment provided through encapsulation by the nanotubes. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr02609d

  20. Dynamics of singlet fission and electron injection in self-assembled acene monolayers on titanium dioxide† †Electronic supplementary information (ESI) available: Steady-state UV-VIS and PL, solution transient absorption, X-ray diffraction, decay associated spectra, and TIPS Tc COOH/Al2O3/TiO2 film kinetics. See DOI: 10.1039/c7sc04688j

    PubMed Central

    Pace, Natalie A.; Arias, Dylan H.; Granger, Devin B.; Christensen, Steven; Anthony, John E.

    2018-01-01

    We employ a combination of linear spectroscopy, electrochemistry, and transient absorption spectroscopy to characterize the interplay between electron transfer and singlet fission dynamics in polyacene-based dyes attached to nanostructured TiO2. For triisopropyl silylethynyl (TIPS)-pentacene, we find that the singlet fission time constant increases to 6.5 ps on a nanostructured TiO2 surface relative to a thin film time constant of 150 fs, and that triplets do not dissociate after they are formed. In contrast, TIPS-tetracene singlets quickly dissociate in 2 ps at the molecule/TiO2 interface, and this dissociation outcompetes the relatively slow singlet fission process. The addition of an alumina layer slows down electron injection, allowing the formation of triplets from singlet fission in 40 ps. However, the triplets do not inject electrons, which is likely due to a lack of sufficient driving force for triplet dissociation. These results point to the critical balance required between efficient singlet fission and appropriate energetics for interfacial charge transfer. PMID:29732084

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