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Sample records for biomolecular building blocks

  1. Anisotropy Spectra for Enantiomeric Differentiation of Biomolecular Building Blocks

    DEFF Research Database (Denmark)

    Evans, Amanda C.; Meinert, Cornelia; Bredehoft, Jan H.

    2013-01-01

    All biopolymers are composed of homochiral building blocks, and both D-sugars and L-amino acids uniquely constitute life on Earth. These monomers were originally enantiomerically differentiated under prebiotic conditions. Particular progress has recently been made in support of the photochemical...

  2. Identification of Biomolecular Building Blocks by Recognition Tunneling: Stride towards Nanopore Sequencing of Biomolecules

    Science.gov (United States)

    Sen, Suman

    DNA, RNA and Protein are three pivotal biomolecules in human and other organisms, playing decisive roles in functionality, appearance, diseases development and other physiological phenomena. Hence, sequencing of these biomolecules acquires the prime interest in the scientific community. Single molecular identification of their building blocks can be done by a technique called Recognition Tunneling (RT) based on Scanning Tunneling Microscope (STM). A single layer of specially designed recognition molecule is attached to the STM electrodes, which trap the targeted molecules (DNA nucleoside monophosphates, RNA nucleoside monophosphates or amino acids) inside the STM nanogap. Depending on their different binding interactions with the recognition molecules, the analyte molecules generate stochastic signal trains accommodating their "electronic fingerprints". Signal features are used to detect the molecules using a machine learning algorithm and different molecules can be identified with significantly high accuracy. This, in turn, paves the way for rapid, economical nanopore sequencing platform, overcoming the drawbacks of Next Generation Sequencing (NGS) techniques. To read DNA nucleotides with high accuracy in an STM tunnel junction a series of nitrogen-based heterocycles were designed and examined to check their capabilities to interact with naturally occurring DNA nucleotides by hydrogen bonding in the tunnel junction. These recognition molecules are Benzimidazole, Imidazole, Triazole and Pyrrole. Benzimidazole proved to be best among them showing DNA nucleotide classification accuracy close to 99%. Also, Imidazole reader can read an abasic monophosphate (AP), a product from depurination or depyrimidination that occurs 10,000 times per human cell per day. In another study, I have investigated a new universal reader, 1-(2-mercaptoethyl)pyrene (Pyrene reader) based on stacking interactions, which should be more specific to the canonical DNA nucleosides. In addition

  3. Photovoltaic building blocks

    DEFF Research Database (Denmark)

    Hanberg, Peter Jesper; Jørgensen, Anders Michael

    2014-01-01

    efficiency of about 15% for commercial Silicon solar cells there is still much to gain. DTU Danchip provides research facilities, equipment and expertise for the building blocks that comprises fabricating the efficient solar cell. In order to get more of the sun light into the device we provide thin film......Photovoltaics (PV), better known as solar cells, are now a common day sight on many rooftops in Denmark.The installed capacity of PV systems worldwide is growing exponentially1 and is the third most importantrenewable energy source today. The cost of PV is decreasing fast with ~10%/year but to make...... it directcompetitive with fossil energy sources a further reduction is needed. By increasing the efficiency of the solar cells one gain an advantage through the whole chain of cost. So that per produced Watt of power less material is spent, installation costs are lower, less area is used etc. With an average...

  4. Building Blocks for Personal Brands

    Science.gov (United States)

    Thomas, Lisa Carlucci

    2011-01-01

    In this article, the author discusses the four essential building blocks for personal brands: (1) name; (2) message; (3) channels; and (4) bridges. However, outstanding building materials can only take a person so far. The author emphasizes that vision, determination, faith, a sense of humor, and humility are also required.

  5. Solution scattering studies on a virus capsid protein as a building block for nanoscale assemblies

    NARCIS (Netherlands)

    Comellas Aragones, M.; Comellas-Aragones, Marta; Sikkema, Friso D.; Delaittre, Guillaume; Terry, Ann E.; King, Stephen M.; Visser, Dirk; Heenan, Richard K.; Nolte, Roeland J.M.; Cornelissen, Jeroen Johannes Lambertus Maria; Feiters, Martin C.

    2011-01-01

    Self-assembled protein cages are versatile building blocks in the construction of biomolecular nanostructures. Because of the defined assembly behaviour the cowpea chlorotic mottle virus (CCMV) protein is often used for such applications. Here we report a detailed solution scattering study of the

  6. Gas-phase spectroscopy of biomolecular building blocks

    Czech Academy of Sciences Publication Activity Database

    de Vries, M. S.; Hobza, Pavel

    2007-01-01

    Roč. 58, - (2007), s. 585-612 ISSN 0066-426X R&D Projects: GA MŠk LC512; GA ČR GA203/05/0009; GA AV ČR IAA400550510 Grant - others:NSF(US) CHE-0244341 Institutional research plan: CEZ:AV0Z40550506 Keywords : biomolecules * REMPI * computational chemistry Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.439, year: 2007

  7. Building blocks of the universe

    International Nuclear Information System (INIS)

    Malamud, E.; O'Connor, C.; Cooper, A.

    1990-01-01

    COSI [Ohio's Center for Science and Industry], a well established science center, and SciTech, an emerging one, have formed a collaboration to develop a group of original interactive exhibits conveying to a wide audience the nature of the most fundamental features of the Universe, as revealed in the fascinating world of nuclear and particle science. These new exhibits will add to, and be supported by, the basic science exhibits which have already attracted large numbers of visitors to both centers. The new project, called Building Blocks of the Universe, aims to foster an appreciation of the way all features of the Universe arise from simple, basic rules and to lead the visitor from the perceived complexities of our surroundings, to the unperceived, but simpler features of the sub-nuclear world. It has already become apparent from individual prototypes that these simple but immensely far-reaching ideas can indeed be conveyed by hands-on exhibits. These exhibits will be linked and enhanced by an effective museum environment, using pictorial diagrams, accurate non-technical text, and artistic displays to create an atmosphere in which visitors can learn about phenomena beyond the range of direct perception. This paper describes the goals, content and organization of the exhibition. The authors also outline their experience with prototype exhibits, and thereby invite additional input into the development process

  8. Packaging of Power Electronics Building Blocks

    National Research Council Canada - National Science Library

    Van

    2000-01-01

    The major objective of the PEBB research at CPES remains to support ONR's program to develop a new generation of electric ships based on the building block concept utilizing high voltage dc distribution...

  9. Building Blocks for Control System Software

    NARCIS (Netherlands)

    Broenink, Johannes F.; Hilderink, G.H.; Amerongen van, J.; Jonker, B.; Regtien, P.P.L

    2001-01-01

    Software implementation of control laws for industrial systems seem straightforward, but is not. The computer code stemming from the control laws is mostly not more than 10 to 30% of the total. A building-block approach for embedded control system development is advocated to enable a fast and

  10. Building blocks of Collagen based biomaterial devices

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. Building blocks of Collagen based biomaterial devices. Collagen as a protein. Collagen in tissues and organs. Stabilizing and cross linking agents. Immunogenicity. Hosts (drugs). Controlled release mechanisms of hosts. Biodegradability, workability into devices ...

  11. Essential Building Blocks of Human Nature

    CERN Document Server

    Frey, Ulrich J; Willführ, Kai P

    2011-01-01

    To understand why we humans are as we are, it is necessary to look at the essential building blocks that comprise our nature. The foundations of this structure are our evolutionary origins as primates and our social roots. Upon these rest features such as our emotions, language and aesthetic preferences, with our self-perceptions, self-deceptions and thirst for knowledge right at the top. The unifying force holding these blocks together is evolutionary theory. Evolution provides a deeper understanding of human nature and, in particular, of the common roots of these different perspectives. To build a reliable and coherent model of man, leading authors from fields as diverse as primatology, anthropology, neurobiology and philosophy have joined forces to present essays  each describing their own expert perspective. Together they provide a convincing and complete picture of our own human nature.

  12. Building blocks for protein interaction devices

    OpenAIRE

    Gr?nberg, Raik; Ferrar, Tony S.; van der Sloot, Almer M.; Constante, Marco; Serrano, Luis

    2010-01-01

    Here, we propose a framework for the design of synthetic protein networks from modular protein?protein or protein?peptide interactions and provide a starter toolkit of protein building blocks. Our proof of concept experiments outline a general work flow for part?based protein systems engineering. We streamlined the iterative BioBrick cloning protocol and assembled 25 synthetic multidomain proteins each from seven standardized DNA fragments. A systematic screen revealed two main factors contro...

  13. Topology optimised planar photonic crystal building blocks

    DEFF Research Database (Denmark)

    Frandsen, Lars Hagedorn; Hede, K. K.; Borel, Peter Ingo

    A photonic crystal waveguide (PhCW) 1x4 splitter has been constructed from PhCW 60° bends1 and Y-splitters2 that have been designed individually by utilising topology optimisation3. The splitter has been fabricated in a silicon-on-insulator material (Fig. 1) and exhibits a broadband splitting...... for the TE-polarisation with an average excess loss of 1.55±0.54 dB for a 110 nm bandwidth. The 1x4 splitter demonstrates that individual topology-optimised parts can be used as building blocks to realise high-performance nanophotonic circuits. 1L. H. Frandsen et al., Opt. Express 12, 5916-5921 (2004) 2P. I...

  14. Identification of critical technology building blocks

    DEFF Research Database (Denmark)

    Ravn, Poul Martin; Mortensen, Niels Henrik; Hvam, Lars

    2017-01-01

    on competition, the challenge is to know how to identify and prioritize the development tasks. If possible, an effective strategy can be defined. This article suggests a framework for identification and analysis of a product portfolio, with special emphasis on identifying critical technology building blocks......In order to have a better base for decisions, R&D managers need to know what the critical areas of development are in relation to the technologies they develop, mature, and include in the portfolio. As most of the technologies in a company have the potential to have a significant impact...... based on reasoning about product properties. Current approaches lack such views, and by focusing on these, potential make or break decisions are better supported. It is suggested to adopt the proposed framework to clarify where in the portfolio the technology needs critical attention for the next...

  15. Galactic Building Blocks Seen Swarming Around Andromeda

    Science.gov (United States)

    2004-02-01

    Green Bank, WV - A team of astronomers using the National Science Foundation's Robert C. Byrd Green Bank Telescope (GBT) has made the first conclusive detection of what appear to be the leftover building blocks of galaxy formation -- neutral hydrogen clouds -- swarming around the Andromeda Galaxy, the nearest large spiral galaxy to the Milky Way. This discovery may help scientists understand the structure and evolution of the Milky Way and all spiral galaxies. It also may help explain why certain young stars in mature galaxies are surprisingly bereft of the heavy elements that their contemporaries contain. Andromeda Galaxy This image depicts several long-sought galactic "building blocks" in orbit of the Andromeda Galaxy (M31). The newfound hydrogen clouds are depicted in a shade of orange (GBT), while gas that comprises the massive hydrogen disk of Andromeda is shown at high-resolution in blue (Westerbork Sythesis Radio Telescope). CREDIT: NRAO/AUI/NSF, WSRT (Click on Image for Larger Version) "Giant galaxies, like Andromeda and our own Milky Way, are thought to form through repeated mergers with smaller galaxies and through the accretion of vast numbers of even lower mass 'clouds' -- dark objects that lack stars and even are too small to call galaxies," said David A. Thilker of the Johns Hopkins University in Baltimore, Maryland. "Theoretical studies predict that this process of galactic growth continues today, but astronomers have been unable to detect the expected low mass 'building blocks' falling into nearby galaxies, until now." Thilker's research is published in the Astrophysical Journal Letters. Other contributors include: Robert Braun of the Netherlands Foundation for Research in Astronomy; Rene A.M. Walterbos of New Mexico State University; Edvige Corbelli of the Osservatorio Astrofisico di Arcetri in Italy; Felix J. Lockman and Ronald Maddalena of the National Radio Astronomy Observatory (NRAO) in Green Bank, West Virginia; and Edward Murphy of the

  16. Building Blocks for Sustainable Communities: Assistance from Grantees

    Science.gov (United States)

    EPA awarded Building Blocks for Sustainable Communities grants to four nonprofit organizations with extensive expertise in community sustainability. These organizations deliver technical assistance to communities.

  17. Building Blocks for Academic Papers Graduate Writing Center Workshop [video

    OpenAIRE

    Naval Postgraduate School; Naval Postgraduate School (U.S.)

    2015-01-01

    Naval Postgraduate School, Graduate Writing Center Workshop, Building Blocks for Academic Papers. Presented by George Lober, MA, Senior Lecturer, Department of Defense Analysis, Naval Postgraduate School.

  18. Building blocks for protein interaction devices.

    Science.gov (United States)

    Grünberg, Raik; Ferrar, Tony S; van der Sloot, Almer M; Constante, Marco; Serrano, Luis

    2010-05-01

    Here, we propose a framework for the design of synthetic protein networks from modular protein-protein or protein-peptide interactions and provide a starter toolkit of protein building blocks. Our proof of concept experiments outline a general work flow for part-based protein systems engineering. We streamlined the iterative BioBrick cloning protocol and assembled 25 synthetic multidomain proteins each from seven standardized DNA fragments. A systematic screen revealed two main factors controlling protein expression in Escherichia coli: obstruction of translation initiation by mRNA secondary structure or toxicity of individual domains. Eventually, 13 proteins were purified for further characterization. Starting from well-established biotechnological tools, two general-purpose interaction input and two readout devices were built and characterized in vitro. Constitutive interaction input was achieved with a pair of synthetic leucine zippers. The second interaction was drug-controlled utilizing the rapamycin-induced binding of FRB(T2098L) to FKBP12. The interaction kinetics of both devices were analyzed by surface plasmon resonance. Readout was based on Förster resonance energy transfer between fluorescent proteins and was quantified for various combinations of input and output devices. Our results demonstrate the feasibility of parts-based protein synthetic biology. Additionally, we identify future challenges and limitations of modular design along with approaches to address them.

  19. Building Blocks: Enmeshing Technology and Creativity with Artistic Pedagogical Technologies

    Science.gov (United States)

    Janzen, Katherine J.; Perry, Beth; Edwards, Margaret

    2017-01-01

    Using the analogy of children's building blocks, the reader is guided through the results of a research study that explored the use of three Artistic Pedagogical Technologies (APTs). "Building blocks" was the major theme that emerged from the data. Sub-themes included developing community, enhancing creativity, and risk taking. The…

  20. Tuning functional properties: From nanoscale building blocks to ...

    Indian Academy of Sciences (India)

    ous nanoscale building blocks, metal and semiconductor nanoparticles and carbon nanotubes have gained much attention and a brief summary of their functional properties is discussed. Further- more, the functional properties of nanomaterials can be fine-tuned by a stepwise integration of these nanoscale building blocks ...

  1. Explicit filtering of building blocks for genetic algorithms

    NARCIS (Netherlands)

    C.H.M. van Kemenade

    1996-01-01

    textabstractGenetic algorithms are often applied to building block problems. We have developed a simple filtering algorithm that can locate building blocks within a bit-string, and does not make assumptions regarding the linkage of the bits. A comparison between the filtering algorithm and genetic

  2. Building Blocks to Colorado's Content Standards: Mathematics, Reading and Writing.

    Science.gov (United States)

    Allen-Young, Darcy; Amundson, Jane L.; Bowers, Lori Goodwin; Koehn, Jo; Triolo-Moloney, Sharon; Vendegna, Nan; Peterson, Sandra

    The Building Blocks to Colorado's Content Standards were developed to connect early childhood education to the K-12 content standards, to advocate for appropriate teaching strategies for preschool children, and to support awareness and understanding of early childhood foundational skills among parents and teachers. Five sets of building blocks are…

  3. Customizable Visualizations with Formula-Linked Building Blocks

    DEFF Research Database (Denmark)

    Kuhail, Mohammad Amin; Lauesen, Søren

    . Visualization toolkits allow easier visualization creation in some cases, but customization and interaction are tedious. As an alternative, we developed uVis visualization tool that uses spreadsheet-like formulas to connect building blocks. uVis formulas can refer to building blocks and database tables. We...

  4. A facile building-block synthesis of multifunctional lanthanide MOFs

    NARCIS (Netherlands)

    Tanase, S.; Mittelmeijer-Hazeleger, M.C.; Rothenberg, G.; Mathonière, C.; Jubera, V.; Smits, J.M.M.; de Gelder, R.

    2011-01-01

    We report a building blocks approach providing a direct route to multifunctional MOFs, that display photoluminescent properties, robustness, porosity and in some cases unique magnetic properties. The self-assembly of [Mo(CN)8]4− with several in situ prepared lanthanide building blocks gives 3D

  5. The scientific building blocks for business coaching: A literature review

    Directory of Open Access Journals (Sweden)

    Flip Schutte

    2015-03-01

    Contribution: The building blocks for business coaching as a relatively new and emerging science within the field of business leadership have been defined. This will contribute to the articulation of concepts within this discipline by future researchers and practitioners.

  6. Effects of different building blocks designs on the statistical ...

    African Journals Online (AJOL)

    Prior to any census, the country usually gets demarcated into small geographic units called census enumeration areas, districts or blocks. In most countries, these small geographic units are also used for census dissemination. In cases where they are not used for census release, they are normally used as building blocks ...

  7. Characteristics of Recycled Concrete Aggregates from Precast Slab Block Buildings

    Science.gov (United States)

    Venkrbec, Václav; Nováková, Iveta; Henková, Svatava

    2017-10-01

    Precast slab block buildings (PSBB) typically and frequently occur in Central and Eastern Europe, as well as elsewhere in the world. Some of these buildings are currently used beyond their service life capacity. The utilization of recycled materials from these buildings with regard to applying the principles of sustainable construction and using recycled materials will probably be significant in the following years. Documentation from the manufacturing processes of prefabricated blocks for precast slab block buildings is not available, and also it is difficult to declare technological discipline during the construction of these buildings. Therefore, properties of recycled concrete aggregates (RCA) produced from construction and demolition waste (C&DW) of precast slab block buildings build between 1950s to 1990s are not sufficiently known. The demolition of these buildings is very rare today, but it can be assumed an increase in demolitions of these buildings in the future. The use of RCA in new concrete requires verification/testing of the geometrical and physical properties of RCA according to the EN 12 620+A1 standard. The aim of the contribution is to present a case study of the demolition of slab block building with emphasis on RCA usage. The paper presents the results of the tests according to European standards for determining selected geometrical and physical properties of the RCA. The paper describes and evaluates tests such as determination of particle size distribution - Sieve Analysis, content of fine particles, determination of density and water absorption. The results of the properties testing of RCA are compared with the properties of natural aggregate. The general boundary conditions of RCA particular tests are presented.

  8. Fluorine-18 labelled building blocks for PET tracer synthesis.

    Science.gov (United States)

    van der Born, Dion; Pees, Anna; Poot, Alex J; Orru, Romano V A; Windhorst, Albert D; Vugts, Danielle J

    2017-07-31

    Positron emission tomography (PET) is an important driver for present day healthcare. Fluorine-18 is the most widely used radioisotope for PET imaging and a thorough overview of the available radiochemistry methodology is a prerequisite for selection of a synthetic approach for new fluorine-18 labelled PET tracers. These PET tracers can be synthesised either by late-stage radiofluorination, introducing fluorine-18 in the last step of the synthesis, or by a building block approach (also called modular build-up approach), introducing fluorine-18 in a fast and efficient manner in a building block, which is reacted further in one or multiple reaction steps to form the PET tracer. This review presents a comprehensive overview of the synthesis and application of fluorine-18 labelled building blocks since 2010.

  9. Verification of Building Blocks for Asynchronous Circuits

    Directory of Open Access Journals (Sweden)

    Freek Verbeek

    2013-04-01

    Full Text Available Scalable formal verification constitutes an important challenge for the design of asynchronous circuits. Deadlock freedom is a property that is desired but hard to verify. It is an emergent property that has to be verified monolithically. We present our approach to using ACL2 to verify necessary and sufficient conditions over asynchronous delay-insensitive primitives. These conditions are used to derive SAT/SMT instances from circuits built out of these primitives. These SAT/SMT instances help in establishing absence of deadlocks. Our verification effort consists of building an executable checker in the ACL2 logic tailored for our purpose. We prove that this checker is correct. This approach enables us to prove ACL2 theorems involving defun-sk constructs and free variables fully automatically.

  10. Rigid rod spaced fullerene as building block for nanoclusters

    Indian Academy of Sciences (India)

    Unknown

    the possibilities of crafting similar systems.1–4 The key to such design strategy is our ability to organise simple molecular building blocks to nanostructured systems, ... AFM images were recorded using a Digital Nanoscope IIIa in tapping mode. An etched silicon tip was used as an AFM probe for imaging the samples.

  11. Quantum Computing-Building Blocks of a Quantum Computer

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 5; Issue 9. Quantum Computing - Building Blocks of a Quantum Computer. C S Vijay Vishal Gupta. General Article Volume 5 Issue 9 September 2000 pp 69-81. Fulltext. Click here to view fulltext PDF. Permanent link:

  12. Bile Acids as Building Blocks of Supramolecular Hosts

    Directory of Open Access Journals (Sweden)

    Erkki Kolehmainen

    2001-01-01

    Full Text Available A review of the use of bile acid-based compounds as building blocks for designing novel supramolecular hosts for molecular recognition is presented. Pharmacological applications and the newest spectroscopic and computational studies of bile acid derivatives are also shortly considered.

  13. Sortase-Mediated Ligation of Purely Artificial Building Blocks

    Directory of Open Access Journals (Sweden)

    Xiaolin Dai

    2018-02-01

    Full Text Available Sortase A (SrtA from Staphylococcus aureus has been often used for ligating a protein with other natural or synthetic compounds in recent years. Here we show that SrtA-mediated ligation (SML is universally applicable for the linkage of two purely artificial building blocks. Silica nanoparticles (NPs, poly(ethylene glycol and poly(N-isopropyl acrylamide are chosen as synthetic building blocks. As a proof of concept, NP–polymer, NP–NP, and polymer–polymer structures are formed by SrtA catalysis. Therefore, the building blocks are equipped with the recognition sequence needed for SrtA reaction—the conserved peptide LPETG—and a pentaglycine motif. The successful formation of the reaction products is shown by means of transmission electron microscopy (TEM, matrix assisted laser desorption ionization-time of flight mass spectrometry (MALDI-ToF MS, and dynamic light scattering (DLS. The sortase catalyzed linkage of artificial building blocks sets the stage for the development of a new approach to link synthetic structures in cases where their synthesis by established chemical methods is complicated.

  14. Effects of different building blocks designs on the statistical ...

    African Journals Online (AJOL)

    Tholang T. Mokhele

    Enumeration Areas (EAs), Small Area Layers (SALs) and SubPlaces) from the 2001 census data were used as building blocks for the generation of census output areas with AZTool program in both rural and urban areas of South Africa. One way-Analysis of Variance (ANOVA) was also performed to determine statistical ...

  15. Internet of Things building blocks and business models

    CERN Document Server

    Hussain, Fatima

    2017-01-01

    This book describes the building blocks and introductory business models for Internet of Things (IoT). The author provide an overview of the entire IoT architecture and constituent layers, followed by detail description of each block . Various inter-connecting technologies and sensors are discussed in context of IoT networks. In addition to this, concepts of Big Data and Fog Computing are presented and characterized as per data generated by versatile IoT applications . Smart parking system and context aware services are presented as an hybrid model of cloud and Fog Afterwards, various IoT applications and respective business models are discussed. Finally, author summarizes the IoT building blocks and identify research issues in each, and suggest potential research projects worthy of pursuing. .

  16. Reactive µCP on Ultrathin Block Copolymer Films: Localized Chemistry for Micro- and Nano-Scale Biomolecular Patterning

    NARCIS (Netherlands)

    Feng, C.L.; Embrechts, A.; Vancso, Gyula J.; Schönherr, Holger

    2006-01-01

    Three different, complementary soft lithographic approaches for the fabrication of chemical patterns on ultrathin polystyrene-block-poly(tert-butyl acrylate) (PS690-b-PtBA1210) films are discussed. Central to the methodology is the previously introduced reactive PS690-b-PtBA1210 platform that allows

  17. Hydration effects on the electronic properties of eumelanin building blocks

    International Nuclear Information System (INIS)

    Assis Oliveira, Leonardo Bruno; Fonseca, Tertius L.; Costa Cabral, Benedito J.; Coutinho, Kaline; Canuto, Sylvio

    2016-01-01

    Theoretical results for the electronic properties of eumelanin building blocks in the gas phase and water are presented. The building blocks presently investigated include the monomeric species DHI (5,6-dihydroxyindole) or hydroquinone (HQ), DHICA (5,6-dihydroxyindole-2-carboxylic acid), indolequinone (IQ), quinone methide (MQ), two covalently bonded dimers [HM ≡ HQ + MQ and IM ≡ IQ + MQ], and two tetramers [HMIM ≡ HQ + IM, IMIM ≡ IM + IM]. The electronic properties in water were determined by carrying out sequential Monte Carlo/time dependent density functional theory calculations. The results illustrate the role played by hydrogen bonding and electrostatic interactions in the electronic properties of eumelanin building blocks in a polar environment. In water, the dipole moments of monomeric species are significantly increased ([54–79]%) relative to their gas phase values. Recently, it has been proposed that the observed enhancement of the higher-energy absorption intensity in eumelanin can be explained by excitonic coupling among eumelanin protomolecules [C.-T. Chen et al., Nat. Commun. 5, 3859 (2014)]. Here, we are providing evidence that for DHICA, IQ, and HMIM, the electronic absorption toward the higher-energy end of the spectrum ([180–220] nm) is enhanced by long-range Coulombic interactions with the water environment. It was verified that by superposing the absorption spectra of different eumelanin building blocks corresponding to the monomers, dimers, and tetramers in liquid water, the behaviour of the experimental spectrum, which is characterised by a nearly monotonic decay from the ultraviolet to the infrared, is qualitatively reproduced. This result is in keeping with a “chemical disorder model,” where the broadband absorption of eumelanin pigments is determined by the superposition of the spectra associated with the monomeric and oligomeric building blocks.

  18. Hydration effects on the electronic properties of eumelanin building blocks

    Energy Technology Data Exchange (ETDEWEB)

    Assis Oliveira, Leonardo Bruno [Instituto de Física da Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Departamento de Física - CEPAE, Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Escola de Ciências Exatas e da Computação, Pontifícia Universidade Católica de Goiás, 74605-010 Goiânia, GO (Brazil); Fonseca, Tertius L. [Instituto de Física da Universidade Federal de Goiás, 74690-900 Goiânia, GO (Brazil); Costa Cabral, Benedito J., E-mail: ben@cii.fc.ul.pt [Grupo de Física Matemática da Universidade de Lisboa and Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade de Lisboa, 1749-016 Lisboa (Portugal); Coutinho, Kaline; Canuto, Sylvio [Instituto de Física da Universidade de São Paulo, CP 66318, 05314-970 São Paulo, SP (Brazil)

    2016-08-28

    Theoretical results for the electronic properties of eumelanin building blocks in the gas phase and water are presented. The building blocks presently investigated include the monomeric species DHI (5,6-dihydroxyindole) or hydroquinone (HQ), DHICA (5,6-dihydroxyindole-2-carboxylic acid), indolequinone (IQ), quinone methide (MQ), two covalently bonded dimers [HM ≡ HQ + MQ and IM ≡ IQ + MQ], and two tetramers [HMIM ≡ HQ + IM, IMIM ≡ IM + IM]. The electronic properties in water were determined by carrying out sequential Monte Carlo/time dependent density functional theory calculations. The results illustrate the role played by hydrogen bonding and electrostatic interactions in the electronic properties of eumelanin building blocks in a polar environment. In water, the dipole moments of monomeric species are significantly increased ([54–79]%) relative to their gas phase values. Recently, it has been proposed that the observed enhancement of the higher-energy absorption intensity in eumelanin can be explained by excitonic coupling among eumelanin protomolecules [C.-T. Chen et al., Nat. Commun. 5, 3859 (2014)]. Here, we are providing evidence that for DHICA, IQ, and HMIM, the electronic absorption toward the higher-energy end of the spectrum ([180–220] nm) is enhanced by long-range Coulombic interactions with the water environment. It was verified that by superposing the absorption spectra of different eumelanin building blocks corresponding to the monomers, dimers, and tetramers in liquid water, the behaviour of the experimental spectrum, which is characterised by a nearly monotonic decay from the ultraviolet to the infrared, is qualitatively reproduced. This result is in keeping with a “chemical disorder model,” where the broadband absorption of eumelanin pigments is determined by the superposition of the spectra associated with the monomeric and oligomeric building blocks.

  19. Building houses with earth blocks: A guide for upgrading traditional building methods using handmade earth blocks

    CSIR Research Space (South Africa)

    Bolton, M

    2001-01-01

    Full Text Available This report is a guide to building strong earth houses that will last a long time but without having to spend a lot of extra money or hire outside experts to do the building. It supports the process of improving the quality of earth housing...

  20. THE USAGE OF FACEBOOK FUNCTIONAL BUILDING BLOCKS IN UNISEL

    Directory of Open Access Journals (Sweden)

    Latifah Abd Latib

    2015-08-01

    Full Text Available The emergence of Internet-based social media has made it possible for a personto communicate with thousands of other people to increase the communicationeffectiveness, collaboration among internal organization and knowledge sharing.By engaging employees through social media such as Facebook as a two-waycommunications tool, employers can reach a larger audience and build credibilitywith techno-savvy workers. Although it is clear that Facebook is a very powerfultool for communication, many employers are unable to identify the functionalityof Facebook in terms of developing strategies and to allocate the resourceseffectively. Taking this into account this study sought to identify the usage ofFacebook Functionality building blocks. This survey involved 55 academic staffsfrom the Faculty of Computer Science and Information Technology, Unisel. Theseven functional building blocks identified were Identity (M=3.39, Relationships(M=3.39, Groups (M=3.6, Presence (M=3.28, Sharing (M=3.06, andConversations (M=2.90, Reputation (M=2.05. This study suggests that theability to identify the functional building blocks itself is very important in anorganization in terms of developing their communication strategies. It is hopedthat the results of the study will be applicable to the instituition, current users,and potential users of Facebook.

  1. BUILDING BLOCKS: ENMESHING TECHNOLOGY AND CREATIVITY WITH ARTISTIC PEDAGOGICAL TECHNOLOGIES

    Directory of Open Access Journals (Sweden)

    Katherine J.JANZEN

    2017-01-01

    Full Text Available Using the analogy of children’s building blocks, the reader is guided through the results of a research study that explored the use of three Artistic Pedagogical Technologies (APTs. ‘Building blocks’ was the major theme that emerged from the data. Sub-themes included developing community, enhancing creativity, and risk taking. The discourse of the paper centers on how selected APTs stimulate interaction, create social presence, and help develop community in the online post-secondary classroom. Additional findings are discussed and implications are presented.

  2. Synthesis of Chiral Building Blocks for Use in Drug Discovery

    Directory of Open Access Journals (Sweden)

    Rustum S. Boyce

    2004-05-01

    Full Text Available In the past decade there has been a significant growth in the sales of pharmaceutical drugs worldwide, but more importantly there has been a dramatic growth in the sales of single enantiomer drugs. The pharmaceutical industry has a rising demand for chiral intermediates and research reagents because of the continuing imperative to improve drug efficacy. This in turn impacts on researchers involved in preclinical discovery work. Besides traditional chiral pool and resolution of racemates as sources of chiral building blocks, many new synthetic methods including a great variety of catalytic reactions have been developed which facilitate the production of complex chiral drug candidates for clinical trials. The most ambitious technique is to synthesise homochiral compounds from non-chiral starting materials using chiral metal catalysts and related chemistry. Examples of the synthesis of chiral building blocks from achiral materials utilizing asymmetric hydrogenation and asymmetric epoxidation are presented.

  3. Block assembly for global registration of building scans

    KAUST Repository

    Yan, Feilong

    2016-11-11

    We propose a framework for global registration of building scans. The first contribution of our work is to detect and use portals (e.g., doors and windows) to improve the local registration between two scans. Our second contribution is an optimization based on a linear integer programming formulation. We abstract each scan as a block and model the blocks registration as an optimization problem that aims at maximizing the overall matching score of the entire scene. We propose an efficient solution to this optimization problem by iteratively detecting and adding local constraints. We demonstrate the effectiveness of the proposed method on buildings of various styles and that our approach is superior to the current state of the art.

  4. Development of a prototype self-configuring building block

    Science.gov (United States)

    Lin, Hung-Yu; Tsui, Chi-Leung; Wu, Wen-Jong; Wang, Wei-Chih

    2011-04-01

    The paper presents the concept and construction of a prototype self-configuring building block for potential application in smart dynamic structure. The design contains several modular self-configuring blocks with integrated controllers, gear trains, extending arms and magnetic latches. The structure could be reconfigured via the connection and disconnection of magnetic latch between the modules. Through the coordination of the individual cubes themselves, the entire structure can reassemble via pushing and pulling the individual components into almost any desired shape. Information as to the current location or the next necessary movement could be passed from cube to cube by a physical connection between the cubes or remotely through broadcast signals. To provide the hardware strategy, we present the mechanical design of the self-configure modules and their latch mechanism of Halbach array. In the end, we will discuss our proposed application in dynamic building structure and storage management.

  5. Building Blocks Incorporating Waste Materials Bound with Bitumen

    Directory of Open Access Journals (Sweden)

    Thanaya I.N.A.

    2010-01-01

    Full Text Available This paper described an investigation and evaluation which was carried out in the United Kingdom-UK, on the properties of masonry building block materials that incorporate waste materials, namely: steel slag, crushed glass, coal fly ash, rice husk ash (RHA, incinerator sewage sludge ash (ISSA, municipal solid waste incinerator bottom ash (MSWIBA or shortened as IBA, bound with bitumen or asphalt, named as Bitublock. The binder used was 50 pen bitumen. The properties of the blocks evaluated were: compressive strength, density, porosity, initial rate of suction (IRS, creep, and volume stability. It was found that the Bitublock performance can be improved by optimizing porosity and curing regime. Compaction level of 2 MPa and curing regime of 200°C for 24 hours gave satisfactory bitublock performances that at least comparable to concrete block found in the United Kingdom (UK. The Volume stability (expansion of the unit is affected by environment relative humidity.

  6. Topology Optimization of Building Blocks for Photonic Integrated Circuits

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2005-01-01

    Photonic integrated circuits are likely candidates as high speed replacements for the standard electrical integrated circuits of today. However, in order to obtain a satisfactorily performance many design prob- lems that up until now have resulted in too high losses must be resolved. In this work...... we demonstrate how the method of topology optimization can be used to design a variety of high performance building blocks for the future circuits....

  7. Preparing a Safety Analysis Report using the building block approach

    International Nuclear Information System (INIS)

    Herrington, C.C.

    1990-01-01

    The credibility of the applicant in a licensing proceeding is severely impacted by the quality of the license application, particularly the Safety Analysis Report. To ensure the highest possible credibility, the building block approach was devised to support the development of a quality Safety Analysis Report. The approach incorporates a comprehensive planning scheme that logically ties together all levels of the investigation and provides the direction necessary to prepare a superior Safety Analysis Report

  8. The Libera as a PS orbit measurement system building block

    CERN Document Server

    Belleman, J M; CERN. Geneva. AB Department

    2005-01-01

    During the year 2004, extensive tests using a Libera data processor have been made in order to study its suitability as a building block for a complete PS trajectory and orbit measurement system. The Libera consists of four fast 12-bits ADCs, a Virtex II Pro FPGA and a large memory. This note presents some of the results of the analysis of acquisitions made on a position pick-up in the CERN PS.

  9. Development of building blocks using vegetable oil and recycled aggregate

    Directory of Open Access Journals (Sweden)

    Attia Mohamed I.

    2017-01-01

    Full Text Available The primary objective of this research was to contribute towards greater sustainability of the construction industry in the Qatar by proposing methods to reduce its dependency on primary imported materials. In this investigation, recycled and secondary aggregates (RSA were combined with non-traditional binders to develop a unique method of manufacturing construction and building blocks. Following an extensive phase of laboratory trials and experimentation, it was realised that many types of graded mineral aggregates, when mixed with vegetable oils (virgin or waste at optimal proportions, then compacted and thermally cured at elevated temperatures can readily generate hardened composites that have the mechanical characteristics of conventional building blocks. The resultant blocks have been named “Vegeblocks” and are viewed as viable alternatives to conventional concrete blocks. Furthermore, the research has demonstrated the feasibility of producing Vegeblocks composed of 100% recycled aggregate and discarded waste cooking oil. Based on physical and mineralogical properties, each type of aggregate has an optimum oil content for maximum compressive strength, beyond which, any additional oil will result in reduction in mechanical properties. Acceptable compressive strength values were achieved by thermally curing Vegeblocks at of 170 °C for 24 hours.

  10. Sandcrete Blocks and Quality Management in Nigeria Building Industry

    Directory of Open Access Journals (Sweden)

    M. N. Anosike

    2012-01-01

    Full Text Available Over 90% of physical infrastructures in Nigeria are being constructed using sandcrete blocks making it a very important material in building construction. It is widely used in Nigeria, Ghana, and other African countries as load bearing and non-load bearing walling units. For a long time in Nigeria, sandcrete blocks are manufactured in many parts of the country without any reference to suit local building requirements or good quality work. The Standard Organization of Nigeria (SON developed a reference document which prescribed the compressive strength and water absorption properties standard requirements for different kinds of sandcrete blocks. The objective of this research is to ensure that all block manufacturers meets a minimum specified standard. The study appraised this objective using field study, sampling and laboratory experimentation and results obtained revealed very low compliance with as low as 0.66N/mm2 compressive strength value and as much as 16.95% water absorption capacity. The study revealed that poor quality control, poor selection of constituent materials and inadequate curing period by the manufacturers contributed to the negative results obtained.

  11. The scientific building blocks for business coaching: A literature review

    Directory of Open Access Journals (Sweden)

    Flip Schutte

    2015-03-01

    Full Text Available Orientation: Business coaching is a relatively new approach to leadership development. It is also slowly growing as an academic discipline with only a small number of active researchers and a dearth of published literature reviews.Research purpose: This article is an investigation into the current level of development of the body of knowledge related to business coaching by means of a systematic literature review.Motivation of the study: Previous literature reviews summarised the available published articles. In order to contribute to establishing business coaching as an independent academic discipline, the building blocks for science in the phenomenon under investigation have to be scientifically not only summarised, but also synthesised and explored to ground this new discipline as an academic field of research.Research design, approach and method: A methodological framework has been developed to analyse the information. The data were synthesised according to the following building blocks for science: concepts, definitions, typologies, models, theories and paradigms.Main findings: A total of 84 articles were accessed by the specified search strategy and 36 were analysed according to inclusive and exclusive criteria. Although coaching has not been sufficiently developed as an academic discipline, it is possible to develop a comprehensive definition of coaching, as well as to identify the main models and theories that apply to this field.Practical/managerial implications: This literature review has synthesised and summarised the available data in such a way that it will contribute to the conceptualisation and foundation of business coaching as an academic discipline.Contribution: The building blocks for business coaching as a relatively new and emerging science within the field of business leadership have been defined. This will contribute to the articulation of concepts within this discipline by future researchers and practitioners.

  12. Image Chunking: Defining Spatial Building Blocks for Scene Analysis.

    Science.gov (United States)

    1987-04-01

    mumgs0.USmusa 7.AUWOJO 4. CIUTAC Rm6ANT Wuugme*j James V/. Mlahoney DACA? 6-85-C-00 10 NOQ 1 4-85-K-O 124 Artificial Inteligence Laboratory US USS 545...0197 672 IMAGE CHUWING: DEINING SPATIAL UILDING PLOCKS FOR 142 SCENE ANRLYSIS(U) MASSACHUSETTS INST OF TECH CAIIAIDGE ARTIFICIAL INTELLIGENCE LAO J...Technical Report 980 F-Image Chunking: Defining Spatial Building Blocks for Scene DTm -Analysis S ELECTED James V. Mahoney’ MIT Artificial Intelligence

  13. Using Foursquare place data for estimating building block use

    OpenAIRE

    SPYRATOS SPYRIDON; STATHAKIS D; LUTZ MICHAEL; TSINARAKI CHRYSI

    2015-01-01

    Information about the Land Use (LU) of built-up areas is required for the comprehensive planning and management of cities. However, due to the high cost of the LU surveys, LU data is out-dated or not available for many cities. Therefore, we propose the reuse of up-to-date and low-cost place data from social media applications for LU mapping purposes. As main case study, we used Foursquare place data for estimating non-residential Building Block Use (BBU) in the city of Amsterdam. Based on the...

  14. Controlling Random Waves with Digital Building Blocks Based on Supersymmetry

    Science.gov (United States)

    Yu, Sunkyu; Piao, Xianji; Park, Namkyoo

    2017-11-01

    Harnessing multimode waves allows high information capacity through modal expansions. Although passive multimode devices for broadband responses have been demonstrated in momentum or frequency domains, the difficulty in achieving collective manipulation of all eigenmodes has hindered the implementation of digital multimode devices such as switching. Here we propose building blocks for digital switching of spatially random waves based on parity-converted supersymmetric pairs of multimode potentials. We reveal that unbroken supersymmetric transformations of any parity-symmetric potential derive the parity reversal of all eigenmodes, which allows the complete isolation of random waves in the "off" state. With two representative solvable potentials, building blocks for binary and many-valued logics are then demonstrated for random waves: a harmonic pair for binary switching of arbitrary wave fronts and a Pöschl-Teller pair for multilevel switching which implements fuzzy membership functions. Our results realizing the transfer of arbitrary wave fronts between wave elements will lay the foundation of high-bandwidth data processing.

  15. Building blocks toward contemporary trauma theory: Ferenczi 's paradigm shift.

    Science.gov (United States)

    Mészáros, Judit

    2010-12-01

    In laying down the building blocks of contemporary trauma theory, Ferenczi asserted that trauma is founded on real events and that it occurs in the interpersonal and intersubjective dynamics of object relations. He stressed the significance of the presence or lack of a trusted person in the post-traumatic situation. After the trauma, the loneliness and later the isolation of the victim represent a serious pathogenic source. In the traumatic situation, the victim and the persecutor/aggressor operate differing ego defense mechanisms. Ferenczi was the first to describe the ego defense mechanism of identification with the aggressor. Ferenczi pointed out the characteristic features of the role of analyst/therapist with which (s)he may assist the patient in working through the trauma, among them being the development of a therapeutic atmosphere based on trust, so that the traumatic experiences can be relived, without which effective therapeutic change cannot be achieved. For the analyst, countertransference, as part of authentic communication, is incorporated into the therapeutic process. These are the key building blocks that are laid down by Ferenczi in his writings and appear in later works on trauma theory.

  16. Fuel-Mediated Transient Clustering of Colloidal Building Blocks.

    Science.gov (United States)

    van Ravensteijn, Bas G P; Hendriksen, Wouter E; Eelkema, Rienk; van Esch, Jan H; Kegel, Willem K

    2017-07-26

    Fuel-driven assembly operates under the continuous influx of energy and results in superstructures that exist out of equilibrium. Such dissipative processes provide a route toward structures and transient behavior unreachable by conventional equilibrium self-assembly. Although perfected in biological systems like microtubules, this class of assembly is only sparsely used in synthetic or colloidal analogues. Here, we present a novel colloidal system that shows transient clustering driven by a chemical fuel. Addition of fuel causes an increase in hydrophobicity of the building blocks by actively removing surface charges, thereby driving their aggregation. Depletion of fuel causes reappearance of the charged moieties and leads to disassembly of the formed clusters. This reassures that the system returns to its initial, equilibrium state. By taking advantage of the cyclic nature of our system, we show that clustering can be induced several times by simple injection of new fuel. The fuel-mediated assembly of colloidal building blocks presented here opens new avenues to the complex landscape of nonequilibrium colloidal structures, guided by biological design principles.

  17. MECs: "Building Blocks" for Creating Biological and Chemical Instruments.

    Science.gov (United States)

    Hill, Douglas A; Anderson, Lindsey E; Hill, Casey J; Mostaghim, Afshin; Rodgers, Victor G J; Grover, William H

    2016-01-01

    The development of new biological and chemical instruments for research and diagnostic applications is often slowed by the cost, specialization, and custom nature of these instruments. New instruments are built from components that are drawn from a host of different disciplines and not designed to integrate together, and once built, an instrument typically performs a limited number of tasks and cannot be easily adapted for new applications. Consequently, the process of inventing new instruments is very inefficient, especially for researchers or clinicians in resource-limited settings. To improve this situation, we propose that a family of standardized multidisciplinary components is needed, a set of "building blocks" that perform a wide array of different tasks and are designed to integrate together. Using these components, scientists, engineers, and clinicians would be able to build custom instruments for their own unique needs quickly and easily. In this work we present the foundation of this set of components, a system we call Multifluidic Evolutionary Components (MECs). "Multifluidic" conveys the wide range of fluid volumes MECs operate upon (from nanoliters to milliliters and beyond); "multi" also reflects the multiple disciplines supported by the system (not only fluidics but also electronics, optics, and mechanics). "Evolutionary" refers to the design principles that enable the library of MEC parts to easily grow and adapt to new applications. Each MEC "building block" performs a fundamental function that is commonly found in biological or chemical instruments, functions like valving, pumping, mixing, controlling, and sensing. Each MEC also has a unique symbol linked to a physical definition, which enables instruments to be designed rapidly and efficiently using schematics. As a proof-of-concept, we use MECs to build a variety of instruments, including a fluidic routing and mixing system capable of manipulating fluid volumes over five orders of magnitude, an

  18. MECs: "Building Blocks" for Creating Biological and Chemical Instruments.

    Directory of Open Access Journals (Sweden)

    Douglas A Hill

    Full Text Available The development of new biological and chemical instruments for research and diagnostic applications is often slowed by the cost, specialization, and custom nature of these instruments. New instruments are built from components that are drawn from a host of different disciplines and not designed to integrate together, and once built, an instrument typically performs a limited number of tasks and cannot be easily adapted for new applications. Consequently, the process of inventing new instruments is very inefficient, especially for researchers or clinicians in resource-limited settings. To improve this situation, we propose that a family of standardized multidisciplinary components is needed, a set of "building blocks" that perform a wide array of different tasks and are designed to integrate together. Using these components, scientists, engineers, and clinicians would be able to build custom instruments for their own unique needs quickly and easily. In this work we present the foundation of this set of components, a system we call Multifluidic Evolutionary Components (MECs. "Multifluidic" conveys the wide range of fluid volumes MECs operate upon (from nanoliters to milliliters and beyond; "multi" also reflects the multiple disciplines supported by the system (not only fluidics but also electronics, optics, and mechanics. "Evolutionary" refers to the design principles that enable the library of MEC parts to easily grow and adapt to new applications. Each MEC "building block" performs a fundamental function that is commonly found in biological or chemical instruments, functions like valving, pumping, mixing, controlling, and sensing. Each MEC also has a unique symbol linked to a physical definition, which enables instruments to be designed rapidly and efficiently using schematics. As a proof-of-concept, we use MECs to build a variety of instruments, including a fluidic routing and mixing system capable of manipulating fluid volumes over five orders

  19. IMPATT power building blocks for 20 GHz spaceborne transmit amplifier

    Science.gov (United States)

    Asmus, J.; Cho, Y.; Degruyl, J.; Ng, E.; Giannakopoulos, A.; Okean, H. C.

    1982-01-01

    Single-stage circulator coupled IMPATT building block constituents of a 20-GHz solid state power amplifier (SSPA) currently under development for spaceborne downlink transmitter usage have been demonstrated as providing 1.5 to 2.0W RF power output at 4 to 5 dB operating gain over a 1 GHz bandwidth. Using either commercially available or recently developed in-house GaAs Schottky Read-profile IMPATT diodes, DC/RF power added efficiencies of 14 to 15% were achieved in these amplifier stages. A two stage IMPATT driver amplifier with similar RF output power capability exhibited 13 + or - 0.5 dB operating gain over a 1 GHz bandwidth.

  20. The assessment of professional competence: building blocks for theory development.

    Science.gov (United States)

    van der Vleuten, C P M; Schuwirth, L W T; Scheele, F; Driessen, E W; Hodges, B

    2010-12-01

    This article presents lessons learnt from experiences with assessment of professional competence. Based on Miller's pyramid, a distinction is made between established assessment technology for assessing 'knows', 'knowing how' and 'showing how' and more recent developments in the assessment of (clinical) performance at the 'does' level. Some general lessons are derived from research of and experiences with the established assessment technology. Here, many paradoxes are revealed and empirical outcomes are often counterintuitive. Instruments for assessing the 'does' level are classified and described, and additional general lessons for this area of performance assessment are derived. These lessons can also be read as general principles of assessment (programmes) and may provide theoretical building blocks to underpin appropriate and state-of-the-art assessment practices. Copyright © 2010 Elsevier Ltd. All rights reserved.

  1. Identifying the Evolutionary Building Blocks of the Cardiac Conduction System

    Science.gov (United States)

    Jensen, Bjarke; Boukens, Bastiaan J. D.; Postma, Alex V.; Gunst, Quinn D.; van den Hoff, Maurice J. B.; Moorman, Antoon F. M.; Wang, Tobias; Christoffels, Vincent M.

    2012-01-01

    The endothermic state of mammals and birds requires high heart rates to accommodate the high rates of oxygen consumption. These high heart rates are driven by very similar conduction systems consisting of an atrioventricular node that slows the electrical impulse and a His-Purkinje system that efficiently activates the ventricular chambers. While ectothermic vertebrates have similar contraction patterns, they do not possess anatomical evidence for a conduction system. This lack amongst extant ectotherms is surprising because mammals and birds evolved independently from reptile-like ancestors. Using conserved genetic markers, we found that the conduction system design of lizard (Anolis carolinensis and A. sagrei), frog (Xenopus laevis) and zebrafish (Danio rerio) adults is strikingly similar to that of embryos of mammals (mouse Mus musculus, and man) and chicken (Gallus gallus). Thus, in ectothermic adults, the slow conducting atrioventricular canal muscle is present, no fibrous insulating plane is formed, and the spongy ventricle serves the dual purpose of conduction and contraction. Optical mapping showed base-to-apex activation of the ventricles of the ectothermic animals, similar to the activation pattern of mammalian and avian embryonic ventricles and to the His-Purkinje systems of the formed hearts. Mammalian and avian ventricles uniquely develop thick compact walls and septum and, hence, form a discrete ventricular conduction system from the embryonic spongy ventricle. Our study uncovers the evolutionary building plan of heart and indicates that the building blocks of the conduction system of adult ectothermic vertebrates and embryos of endotherms are similar. PMID:22984480

  2. Incorporating GIS building data and census housing statistics for sub-block-level population estimation

    Science.gov (United States)

    Wu, S.-S.; Wang, L.; Qiu, X.

    2008-01-01

    This article presents a deterministic model for sub-block-level population estimation based on the total building volumes derived from geographic information system (GIS) building data and three census block-level housing statistics. To assess the model, we generated artificial blocks by aggregating census block areas and calculating the respective housing statistics. We then applied the model to estimate populations for sub-artificial-block areas and assessed the estimates with census populations of the areas. Our analyses indicate that the average percent error of population estimation for sub-artificial-block areas is comparable to those for sub-census-block areas of the same size relative to associated blocks. The smaller the sub-block-level areas, the higher the population estimation errors. For example, the average percent error for residential areas is approximately 0.11 percent for 100 percent block areas and 35 percent for 5 percent block areas.

  3. From Building Blocks to Architects Empowering Learners for Success

    Directory of Open Access Journals (Sweden)

    Reyes Juana Mahissa

    2002-08-01

    Full Text Available Although our ultimate goal is to enable our learners to become autonomous and efficient in their use of the foreign language, whether or not they have the opportunity to ever live and interact in a foreign language setting, our work as teachers must involve a conscious analysis of the different factors involved in this process, as well as the conscious effort to put all the intervening factors into action. Furthermore, it is our responsibility to develop the learners¿ thinking skills as they increase their competence in the target language and at the same time make them aware of their responsibility for their own processes and success by enhancing their autonomy and making them aware of the value of learning strategies. It is our task as teachers to be present on this journey and guide our learners towards becoming architects and masters of their own foreign language construct. In order for this journey to be a successful one, we must make sure we provide the learner with a correct supply of building blocks. In this paper we present an analysis of the main components comprised in teaching English as a foreign language, including a historical overview of methods, approaches, strategies, the concept of learner¿s autonomy, social and psychological factors, aiming at contributing to every teacher¿s reflection on his/her task in the school context.

  4. Building blocks for a clinical imaging informatics environment.

    Science.gov (United States)

    Kohli, Marc D; Warnock, Max; Daly, Mark; Toland, Christopher; Meenan, Chris; Nagy, Paul G

    2014-04-01

    Over the past 20 years, imaging informatics has been driven by the widespread adoption of radiology information and picture archiving and communication and speech recognition systems. These three clinical information systems are commonplace and are intuitive to most radiologists as they replicate familiar paper and film workflow. So what is next? There is a surge of innovation in imaging informatics around advanced workflow, search, electronic medical record aggregation, dashboarding, and analytics tools for quality measures (Nance et al., AJR Am J Roentgenol 200:1064-1070, 2013). The challenge lies in not having to rebuild the technological wheel for each of these new applications but instead attempt to share common components through open standards and modern development techniques. The next generation of applications will be built with moving parts that work together to satisfy advanced use cases without replicating databases and without requiring fragile, intense synchronization from clinical systems. The purpose of this paper is to identify building blocks that can position a practice to be able to quickly innovate when addressing clinical, educational, and research-related problems. This paper is the result of identifying common components in the construction of over two dozen clinical informatics projects developed at the University of Maryland Radiology Informatics Research Laboratory. The systems outlined are intended as a mere foundation rather than an exhaustive list of possible extensions.

  5. Exploring Integration in Action: Competencies as Building Blocks of Expertise.

    Science.gov (United States)

    Mylopoulos, Maria; Borschel, Debaroti Tina; O'Brien, Tara; Martimianakis, Sofia; Woods, Nicole N

    2017-12-01

    Competency frameworks such as the CanMEDS roles and the ACGME core competencies may lead to the implicit assumption that physicians can learn and practice individual competencies in isolation. In contrast, models of adaptive expertise suggest that the integration of competencies reflects the capabilities of an expert physician. Thus, educational programming aimed at teaching discrete roles or competencies might overlook expert physician capabilities that are central to patient care. To develop expertise, learning opportunities must reflect expert capabilities. To better understand the relationship between competency-based medical education and expert development, the authors sought to explore how integrated competencies are enacted during patient care by postgraduate medical trainees. Using a cognitive ethnographic approach, in 2014-2015 the authors conducted observations and-to refine and elaborate these observations-ad hoc informal interviews with 13 postgraduate trainee participants. Data collection resulted in 92 hours of observation, 26 patient case portraits, and a total of 220 pages of field notes for analysis. Through analysis, the authors identified and examined moments when postgraduate trainees appeared to be simultaneously enacting multiple competencies. The authors identified two key expert capabilities in moments of integrated competence: finding complexity and being patient-centered. They described two mechanisms for these forms of integration: valuing the patient's narrative of their illness, and integrated understanding. Understanding integrated competencies as the building blocks of expert capabilities, along with recognizing the importance of mechanisms that support integration, offers an opportunity to use existing competency-based frameworks to understand and teach adaptive expertise.

  6. Nanosized Building Blocks for Customizing Novel Antibiofilm Approaches.

    Science.gov (United States)

    Paula, A J; Koo, H

    2017-02-01

    Recent advances in nanotechnology provide unparalleled flexibility to control the composition, size, shape, surface chemistry, and functionality of materials. Currently available engineering approaches allow precise synthesis of nanocompounds (e.g., nanoparticles, nanostructures, nanocrystals) with both top-down and bottom-up design principles at the submicron level. In this context, these "nanoelements" (NEs) or "nanosized building blocks" can 1) generate new nanocomposites with antibiofilm properties or 2) be used to coat existing surfaces (e.g., teeth) and exogenously introduced surfaces (e.g., restorative or implant materials) for prevention of bacterial adhesion and biofilm formation. Furthermore, functionalized NEs 3) can be conceived as nanoparticles to carry and selectively release antimicrobial agents after attachment or within oral biofilms, resulting in their disruption. The latter mechanism includes "smart release" of agents when triggered by pathogenic microenvironments (e.g., acidic pH or low oxygen levels) for localized and controlled drug delivery to simultaneously kill bacteria and dismantle the biofilm matrix. Here we discuss inorganic, metallic, polymeric, and carbon-based NEs for their outstanding chemical flexibility, stability, and antibiofilm properties manifested when converted into bioactive materials, assembled on-site or delivered at biofilm-surface interfaces. Details are provided on the emerging concept of the rational design of NEs and recent technological breakthroughs for the development of a new generation of nanocoatings or functional nanoparticles for biofilm control in the oral cavity.

  7. Synthesis of aromatic glycoconjugates. Building blocks for the construction of combinatorial glycopeptide libraries

    Directory of Open Access Journals (Sweden)

    Markus Nörrlinger

    2014-10-01

    Full Text Available New aromatic glycoconjugate building blocks based on the trifunctional 3-aminomethyl-5-aminobenzoic acid backbone and sugars linked to the backbone by a malonyl moiety were prepared via peptide coupling. The orthogonally protected glycoconjugates, bearing an acetyl-protected glycoside, were converted into their corresponding acids which are suitable building blocks for combinatorial glycopeptide synthesis.

  8. Quantitative NMR Approach to Optimize the Formation of Chemical Building Blocks from Abundant Carbohydrates

    DEFF Research Database (Denmark)

    Elliot, Samuel Gilbert; Tolborg, Søren; Sádaba, Irantzu

    2017-01-01

    -containing catalysts such as Sn-Beta. These compounds are potential building blocks for polyesters with additional olefin and alcohol functionalities. We employ an NMR approach to identify, quantify and optimize the formation these building blocks in the chemocatalytic transformation of abundant carbohydrates by Sn...

  9. Liquid Metallic Hydrogen: A Building Block for the Liquid Sun

    Directory of Open Access Journals (Sweden)

    Robitaille P.-M.

    2011-07-01

    Full Text Available Liquid metallic hydrogen provides a compelling material for constructing a condensed matter model of the Sun and the photosphere. Like diamond, metallic hydrogen might have the potential to be a metastable substance requiring high pressures for forma- tion. Once created, it would remain stable even at lower pressures. The metallic form of hydrogen was initially conceived in 1935 by Eugene Wigner and Hillard B. Huntington who indirectly anticipated its elevated critical temperature for liquefaction (Wigner E. and Huntington H.B. On the possibility of a metallic modification of hydro- gen. J. Chem. Phys. , 1935, v.3, 764–770. At that time, solid metallic hydrogen was hypothesized to exist as a body centered cubic, although a more energetically accessible layered graphite-like lattice was also envisioned. Relative to solar emission, this struc- tural resemblance between graphite and layered metallic hydrogen should not be easily dismissed. In the laboratory, metallic hydrogen remains an elusive material. However, given the extensive observational evidence for a condensed Sun composed primarily of hydrogen, it is appropriate to consider metallic hydrogen as a solar building block. It is anticipated that solar liquid metallic hydrogen should possess at least some layered order. Since layered liquid metallic hydrogen would be essentially incompressible, its invocation as a solar constituent brings into question much of current stellar physics. The central proof of a liquid state remains the thermal spectrum of the Sun itself. Its proper understanding brings together all the great forces which shaped modern physics. Although other proofs exist for a liquid photosphere, our focus remains solidly on the generation of this light.

  10. The building blocks of the full body ownership illusion.

    Science.gov (United States)

    Maselli, Antonella; Slater, Mel

    2013-01-01

    Previous work has reported that it is not difficult to give people the illusion of ownership over an artificial body, providing a powerful tool for the investigation of the neural and cognitive mechanisms underlying body perception and self consciousness. We present an experimental study that uses immersive virtual reality (IVR) focused on identifying the perceptual building blocks of this illusion. We systematically manipulated visuotactile and visual sensorimotor contingencies, visual perspective, and the appearance of the virtual body in order to assess their relative role and mutual interaction. Consistent results from subjective reports and physiological measures showed that a first person perspective over a fake humanoid body is essential for eliciting a body ownership illusion. We found that the illusion of ownership can be generated when the virtual body has a realistic skin tone and spatially substitutes the real body seen from a first person perspective. In this case there is no need for an additional contribution of congruent visuotactile or sensorimotor cues. Additionally, we found that the processing of incongruent perceptual cues can be modulated by the level of the illusion: when the illusion is strong, incongruent cues are not experienced as incorrect. Participants exposed to asynchronous visuotactile stimulation can experience the ownership illusion and perceive touch as originating from an object seen to contact the virtual body. Analogously, when the level of realism of the virtual body is not high enough and/or when there is no spatial overlap between the two bodies, then the contribution of congruent multisensory and/or sensorimotor cues is required for evoking the illusion. On the basis of these results and inspired by findings from neurophysiological recordings in the monkey, we propose a model that accounts for many of the results reported in the literature.

  11. The building blocks of the full body ownership illusion

    Directory of Open Access Journals (Sweden)

    Antonella eMaselli

    2013-03-01

    Full Text Available Previous work has reported that it is not difficult to give people the illusion of ownership over an artificial body, providing a powerful tool for the investigation of the neural and cognitive mechanisms underlying body perception and self consciousness. We present an experimental study that uses immersive virtual reality focused on identifying the perceptual building blocks of this illusion. We systematically manipulated visuotactile and visual sensorimotor contingencies, visual perspective, and the appearance of the virtual body in order to assess their relative role and mutual interaction. Consistent results from subjective reports and physiological measures showed that a first person perspective over a fake humanoid body is essential for eliciting a body ownership illusion. We found that the level of realism of the virtual body, in particular the realism of skin tone, plays a critical role: when high enough, the illusion can be triggered by the sole effect of the spatial overlap between the real and virtual bodies, providing congruent visuoproprioceptive information, with no need for the additional contribution of congruent visuotactile and/or visual sensorimotor cues. Additionally, we found that the processing of incongruent perceptual cues can be modulated by the level of the illusion: when the illusion is strong, incongruent cues are not experienced as incorrect. Participants exposed to asynchronous visuotactile stimulation can experience the ownership illusion and perceive touch as originating from an object seen to contact the virtual body. Analogously, when the level of realism of the virtual body and/or the spatial overlap of the two bodies is not high enough, the contribution of congruent multisensory and/or sensorimotor cues is required for evoking the illusion. On the basis of these results and inspired by findings from neurophysiological recordings in the monkey, we propose a model that accounts for many of the results reported

  12. The building blocks of the full body ownership illusion

    Science.gov (United States)

    Maselli, Antonella; Slater, Mel

    2013-01-01

    Previous work has reported that it is not difficult to give people the illusion of ownership over an artificial body, providing a powerful tool for the investigation of the neural and cognitive mechanisms underlying body perception and self consciousness. We present an experimental study that uses immersive virtual reality (IVR) focused on identifying the perceptual building blocks of this illusion. We systematically manipulated visuotactile and visual sensorimotor contingencies, visual perspective, and the appearance of the virtual body in order to assess their relative role and mutual interaction. Consistent results from subjective reports and physiological measures showed that a first person perspective over a fake humanoid body is essential for eliciting a body ownership illusion. We found that the illusion of ownership can be generated when the virtual body has a realistic skin tone and spatially substitutes the real body seen from a first person perspective. In this case there is no need for an additional contribution of congruent visuotactile or sensorimotor cues. Additionally, we found that the processing of incongruent perceptual cues can be modulated by the level of the illusion: when the illusion is strong, incongruent cues are not experienced as incorrect. Participants exposed to asynchronous visuotactile stimulation can experience the ownership illusion and perceive touch as originating from an object seen to contact the virtual body. Analogously, when the level of realism of the virtual body is not high enough and/or when there is no spatial overlap between the two bodies, then the contribution of congruent multisensory and/or sensorimotor cues is required for evoking the illusion. On the basis of these results and inspired by findings from neurophysiological recordings in the monkey, we propose a model that accounts for many of the results reported in the literature. PMID:23519597

  13. Development of a Deterministic Ethernet Building blocks for Space Applications

    Science.gov (United States)

    Fidi, C.; Jakovljevic, Mirko

    2015-09-01

    The benefits of using commercially based networking standards and protocols have been widely discussed and are expected to include reduction in overall mission cost, shortened integration and test (I&T) schedules, increased operations flexibility, and hardware and software upgradeability/scalability with developments ongoing in the commercial world. The deterministic Ethernet technology TTEthernet [1] diploid on the NASA Orion spacecraft has demonstrated the use of the TTEthernet technology for a safety critical human space flight application during the Exploration Flight Test 1 (EFT-1). The TTEthernet technology used within the NASA Orion program has been matured for the use within this mission but did not lead to a broader use in space applications or an international space standard. Therefore TTTech has developed a new version which allows to scale the technology for different applications not only the high end missions allowing to decrease the size of the building blocks leading to a reduction of size weight and power enabling the use in smaller applications. TTTech is currently developing a full space products offering for its TTEthernet technology to allow the use in different space applications not restricted to launchers and human spaceflight. A broad space market assessment and the current ESA TRP7594 lead to the development of a space grade TTEthernet controller ASIC based on the ESA qualified Atmel AT1C8RHA95 process [2]. In this paper we will describe our current TTEthernet controller development towards a space qualified network component allowing future spacecrafts to operate in significant radiation environments while using a single onboard network for reliable commanding and data transfer.

  14. Two innovative solutions based on fibre concrete blocks designed for building substructure

    Science.gov (United States)

    Pazderka, J.; Hájek, P.

    2017-09-01

    Using of fibers in a high-strength concrete allows reduction of the dimensions of small precast concrete elements, which opens up new ways of solution for traditional construction details in buildings. The paper presents two innovative technical solutions for building substructure: The special shaped plinth block from fibre concrete and the fibre concrete elements for new technical solution of ventilated floor. The main advantages of plinth block from fibre concrete blocks (compared with standard plinth solutions) is: easier and faster assembly, higher durability and thanks to the air cavity between the vertical part of the block, the building substructure reduced moisture level of structures under the waterproofing layer and a comprehensive solution to the final surface of building plinth as well as the surface of adjacent terrain. The ventilated floor based on fibre concrete precast blocks is an attractive structural alternative for tackling the problem of increased moisture in masonry in older buildings, lacking a functional waterproof layer in the substructure.

  15. CEMENT KILN DUST AS A MATERIAL FOR BUILDING BLOCKS ...

    African Journals Online (AJOL)

    This paper presents the results of a study on the properties of hollow sandcrete blocks with cement kiln dust (CKD) as an additive and as a replacement for ordinary portland cement (OPC). When CKD was used as a replacement for cement, the compressive strength and density of blocks generally decreased with higher ...

  16. The covenant as fundamental building block of marriage

    Directory of Open Access Journals (Sweden)

    Amanda L. Du Plessis

    2012-05-01

    Full Text Available

    ENGLISH ABSTRACT:
    Marriage is an institution of God, a social institution, a multidimensional experience, as well as an intimate personal relationship between a man and a woman. In the Bible the marital relationship is used to describe the covenant relationship between God and human beings. The covenant relationship between God and human beings gives man a secure and safe space where he/she can grow to spiritual and emotional maturity in God, through Jesus Christ. When spouses understand and accept the covenant as a fundamental building block in their marriage, and live accordingly, it creates a profound union and intimacy. Marriage then becomes a safe haven in which spouses can grow to spiritual and emotional wholeness. The question this article explores is how the covenant as the pastoral point of departure may contribute to marriage pastorate. The empirical research has shown that marriage counselling is currently executed reactively, rather than pro-actively.

    AFRIKAANSE OPSOMMING:
    DIE VERBOND AS FUNDAMENTELE BOUSTEEN VIR DIE HUWELIK
    Die huwelik is ’n instelling van God, ’n sosiale instelling, multidimensionele ervaring, asook ’n intieme persoonlike verhouding tussen ’n man en ’n vrou. In die Bybel word die huweliksverhouding gebruik om die verbondsverhouding tussen God en die mens te beskryf. Die verbondsverhouding tussen God en die mens gee aan die mens sekuriteit en veilige ruimte waarbinne die mens tot volwassenheid in God deur Jesus kan groei. Wanneer huweliksgenote die aspekte van die verbond as fundamentele bousteen in hulle huwelik begryp en daarvolgens leef, ontstaan ’n diepe eenwording en intimiteit. Die huwelik word dan ’n veilige ruimte waarbinne beide huweliksgenote geestelik en emosioneel kan groei tot heelheid. Die vraag wat in hierdie artikel ondersoek word, is op watter manier die verbond as pastorale vertrekpunt kan bydra tot die huwelikspastoraat. Die empiriese

  17. Science Support: The Building Blocks of Active Data Curation

    Science.gov (United States)

    Guillory, A.

    2013-12-01

    While the scientific method is built on reproducibility and transparency, and results are published in peer reviewed literature, we have come to the digital age of very large datasets (now of the order of petabytes and soon exabytes) which cannot be published in the traditional way. To preserve reproducibility and transparency, active curation is necessary to keep and protect the information in the long term, and 'science support' activities provide the building blocks for active data curation. With the explosive growth of data in all fields in recent years, there is a pressing urge for data centres to now provide adequate services to ensure long-term preservation and digital curation of project data outputs, however complex those may be. Science support provides advice and support to science projects on data and information management, from file formats through to general data management awareness. Another purpose of science support is to raise awareness in the science community of data and metadata standards and best practice, engendering a culture where data outputs are seen as valued assets. At the heart of Science support is the Data Management Plan (DMP) which sets out a coherent approach to data issues pertaining to the data generating project. It provides an agreed record of the data management needs and issues within the project. The DMP is agreed upon with project investigators to ensure that a high quality documented data archive is created. It includes conditions of use and deposit to clearly express the ownership, responsibilities and rights associated with the data. Project specific needs are also identified for data processing, visualization tools and data sharing services. As part of the National Centre for Atmospheric Science (NCAS) and National Centre for Earth Observation (NCEO), the Centre for Environmental Data Archival (CEDA) fulfills this science support role of facilitating atmospheric and Earth observation data generating projects to ensure

  18. Cosmic "Dig" Reveals Vestiges of the Milky Way's Building Blocks

    Science.gov (United States)

    2009-11-01

    Peering through the thick dust clouds of our galaxy's "bulge" (the myriads of stars surrounding its centre), and revealing an amazing amount of detail, a team of astronomers has unveiled an unusual mix of stars in the stellar grouping known as Terzan 5. Never observed anywhere in the bulge before, this peculiar "cocktail" of stars suggests that Terzan 5 is in fact one of the bulge's primordial building blocks, most likely the relic of a proto-galaxy that merged with the Milky Way during its very early days. "The history of the Milky Way is encoded in its oldest fragments, globular clusters and other systems of stars that have witnessed the entire evolution of our galaxy," says Francesco Ferraro from the University of Bologna, lead author of a paper appearing in this week's issue of the journal Nature. "Our study opens a new window on yet another piece of our galactic past." Like archaeologists, who dig through the dust piling up on top of the remains of past civilisations and unearth crucial pieces of the history of mankind, astronomers have been gazing through the thick layers of interstellar dust obscuring the bulge of the Milky Way and have unveiled an extraordinary cosmic relic. The target of the study is the star cluster Terzan 5. The new observations show that this object, unlike all but a few exceptional globular clusters, does not harbour stars which are all born at the same time - what astronomers call a "single population" of stars. Instead, the multitude of glowing stars in Terzan 5 formed in at least two different epochs, the earliest probably some 12 billion years ago and then again 6 billion years ago. "Only one globular cluster with such a complex history of star formation has been observed in the halo of the Milky Way: Omega Centauri," says team member Emanuele Dalessandro. "This is the first time we see this in the bulge." The galactic bulge is the most inaccessible region of our galaxy for astronomical observations: only infrared light can

  19. Polymorphic Ring-Shaped Molecular Clusters Made of Shape-Variable Building Blocks

    Directory of Open Access Journals (Sweden)

    Keitel Cervantes-Salguero

    2015-02-01

    Full Text Available Self-assembling molecular building blocks able to dynamically change their shapes, is a concept that would offer a route to reconfigurable systems. Although simulation studies predict novel properties useful for applications in diverse fields, such kinds of building blocks, have not been implemented thus far with molecules. Here, we report shape-variable building blocks fabricated by DNA self-assembly. Blocks are movable enough to undergo shape transitions along geometrical ranges. Blocks connect to each other and assemble into polymorphic ring-shaped clusters via the stacking of DNA blunt-ends. Reconfiguration of the polymorphic clusters is achieved by the surface diffusion on mica substrate in response to a monovalent salt concentration. This work could inspire novel reconfigurable self-assembling systems for applications in molecular robotics.

  20. Power Electronic Building Block Network Simulation Testbed Stability Criteria and Hardware Validation Studies

    National Research Council Canada - National Science Library

    Badorf, Michael

    1997-01-01

    ... the survivability of the platform. The Power Electronic Building Block (PEBB) Network Simulation Testbed currently under construction at the Naval Postgraduate School is a study into the feasibility of such DC systems...

  1. Enantiopure heterobimetallic single-chain magnets from the chiral Ru(III) building block.

    Science.gov (United States)

    Ru, Jing; Gao, Feng; Wu, Tao; Yao, Min-Xia; Li, Yi-Zhi; Zuo, Jing-Lin

    2014-01-21

    A pair of one-dimensional enantiomers based on the versatile chiral dicyanoruthenate(III) building block have been synthesized and they are chiral single-chain magnets with the effective spin-reversal barrier of 28.2 K.

  2. Silicon-Carbide (SIC) Multichip Power Modules (MCPMS) For Power Building Block Applications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This Small Business Innovation Research Phase I project seeks to prove the feasibility of developing high power density modular power electronic building blocks...

  3. Biomolecular Science (Fact Sheet)

    Energy Technology Data Exchange (ETDEWEB)

    2012-04-01

    A brief fact sheet about NREL Photobiology and Biomolecular Science. The research goal of NREL's Biomolecular Science is to enable cost-competitive advanced lignocellulosic biofuels production by understanding the science critical for overcoming biomass recalcitrance and developing new product and product intermediate pathways. NREL's Photobiology focuses on understanding the capture of solar energy in photosynthetic systems and its use in converting carbon dioxide and water directly into hydrogen and advanced biofuels.

  4. Binding Blocks: Building the Universe One Nucleus at a Time

    Science.gov (United States)

    Diget, C. Aa.; Pastore, A.; Leech, K.; Haylett, T.; Lock, S.; Sanders, T.; Shelley, M.; Willett, H. V.; Keegans, J.; Sinclair, L.; Simpson, E. C.

    2017-01-01

    We present a new teaching and outreach activity based around the construction of a three-dimensional chart of isotopes using LEGO® bricks. The activity, "binding blocks", demonstrates nuclear and astrophysical processes through a seven-meter chart of all nuclear isotopes, built from over 26000 LEGO® bricks. It integrates A-Level and GCSE…

  5. Solid-phase route to Fmoc-protected cationic amino acid building blocks

    DEFF Research Database (Denmark)

    Clausen, Jacob Dahlqvist; Linderoth, Lars; Nielsen, Hanne Mørck

    2012-01-01

    Diamino acids are commonly found in bioactive compounds, yet only few are commercially available as building blocks for solid-phase peptide synthesis. In the present work a convenient, inexpensive route to multiple-charged amino acid building blocks with varying degree of hydrophobicity was devel...... of simple neutral amino acids as well as analogs displaying high bulkiness or polycationic side chains was prepared. Two building blocks were incorporated into peptide sequences using microwave-assisted solid-phase peptide synthesis confirming their general utility.......Diamino acids are commonly found in bioactive compounds, yet only few are commercially available as building blocks for solid-phase peptide synthesis. In the present work a convenient, inexpensive route to multiple-charged amino acid building blocks with varying degree of hydrophobicity...... was developed. A versatile solid-phase protocol leading to selectively protected amino alcohol intermediates was followed by oxidation to yield the desired di- or polycationic amino acid building blocks in gram-scale amounts. The synthetic sequence comprises loading of (S)-1-(p-nosyl)aziridine-2-methanol onto...

  6. Binding Blocks: building the Universe one nucleus at the time

    OpenAIRE

    Diget, C. Aa.; Pastore, A.; Leech, K.; Haylett, T.; Lock, S.; Sanders, T.; Shelley, M.; Willett, H. V.; Keegans, J.; Sinclair, L.; Simpson, E. C.

    2016-01-01

    We present a new teaching and outreach activity based around the construction of a three-dimensional chart of isotopes using LEGO$^{\\circledR}$ bricks. The activity, \\emph{Binding Blocks}, demonstrates nuclear and astrophysical processes through a seven-meter chart of all nuclear isotopes, built from over 26,000 LEGO$^{\\circledR}$ bricks. It integrates A-level and GCSE curricula across areas of nuclear physics, astrophysics, and chemistry, including: nuclear decays (through the colours in the...

  7. Reactive µCP on Ultrathin Block Copolymer Films: Investigation of the µCP Mechanism and Application to Sub- µm (Bio)molecular Patterning

    NARCIS (Netherlands)

    Feng, C.L.; Vancso, Gyula J.; Schönherr, Holger

    2007-01-01

    In this paper, the mechanism of the recently introduced soft lithographic patterning approach of reactive microcontact printing on thin substrate-supported polystyrene-block-poly(tert-butyl acrylate) (PS690-b-PtBA1210) films using trifluoroacetic acid (TFA)-inked elastomeric poly(dimethylsiloxane)

  8. The Building Blocks of Life Move from Ground to Tree to Animal and Back to Ground

    Science.gov (United States)

    Davidson, E. A.

    2015-12-01

    I generally use combinations of big words to describe my science, such as biogeochemistry, ecosystem ecology, nutrient cycling, stoichiometry, tropical deforestation, land-use change, agricultural intensification, eutrophication, greenhouse gas emissions, and sustainable development. I didn't expect to use any of these words, but I was surprised that I couldn't use some others that seem simple enough to me, such as farm, plant, soil, and forest. I landed on "building blocks" as my metaphor for the forms of carbon, nitrogen, phosphorus, and other elements that I study as they cycle through and among ecosystems. I study what makes trees and other kinds of life grow. We all know that they need the sun and that they take up water from the ground, but what else do trees need from the ground? What do animals that eat leaves and wood get from the trees? Just as we need building blocks to grow our bodies, trees and animals also need building blocks for growing their bodies. Trees get part of their building blocks from the ground and animals get theirs from what they eat. When animals poop and when leaves fall, some of their building blocks return to the ground. When they die, their building blocks also go back to the ground. I also study what happens to the ground, the water, and the air when we cut down trees, kill or shoo away the animals, and make fields to grow our food. Can we grow enough food and still keep the ground, water, and air clean? I think the answer is yes, but it will take better understanding of how all of those building blocks fit together and move around, from ground to tree to animal and back to ground.

  9. Binding blocks: building the Universe one nucleus at a time

    Science.gov (United States)

    Diget, C. Aa; Pastore, A.; Leech, K.; Haylett, T.; Lock, S.; Sanders, T.; Shelley, M.; Willett, H. V.; Keegans, J.; Sinclair, L.; Simpson, E. C.; Binding Blocks Collaboration

    2017-03-01

    We present a new teaching and outreach activity based around the construction of a three-dimensional chart of isotopes using \\text{LEG}{{\\text{O}}\\circledR} bricks5. The activity, binding blocks, demonstrates nuclear and astrophysical processes through a seven-meter chart of all nuclear isotopes, built from over 26 000 \\text{LEG}{{\\text{O}}\\circledR} bricks. It integrates A-Level and GCSE curricula across areas of nuclear physics, astrophysics, and chemistry, including: nuclear decays (through the colours in the chart); nuclear binding energy (through tower heights); production of chemical elements in the cosmos; fusion processes in stars and fusion energy on Earth; as well as links to medical physics, particularly diagnostics and radiotherapy.

  10. Building block synthesis using the polymerase chain assembly method.

    Science.gov (United States)

    Marchand, Julie A; Peccoud, Jean

    2012-01-01

    De novo gene synthesis allows the creation of custom DNA molecules without the typical constraints of traditional cloning assembly: scars, restriction site incompatibility, and the quest to find all the desired parts to name a few. Moreover, with the help of computer-assisted design, the perfect DNA molecule can be created along with its matching sequence ready to download. The challenge is to build the physical DNA molecules that have been designed with the software. Although there are several DNA assembly methods, this section presents and describes a method using the polymerase chain assembly (PCA).

  11. The new district energy : building blocks for sustainable community development

    International Nuclear Information System (INIS)

    2008-01-01

    The price of energy is expected to rise as world demand for fossil fuels increases and energy supplies become harder to access. Governments and businesses are interested in the role of energy in the design, development and operation of buildings and whole communities. In addition to contributing to community economic development, district energy (DE) systems can assist communities in meeting their goals for sustainable growth and in managing the changing nature of risk in the generation and delivery of energy. This handbook was developed in order to encourage information sharing and provide ideas on how to advance district energy development in communities across Canada. The handbook identified those who could use DE and listed the benefits provided by DE. These included community, environmental, and business benefits. The handbook also offered suggestions for overcoming common challenges experienced by communities initiating a DE system and provided a checklist to help accelerate the uptake of DE systems in a community. These challenges included working with the community; using integrated design; building knowledge, know-how and technical skills; and partnering to improve project financing and reducing development risk. 50 refs., 8 tabs., 11 figs

  12. Demand Response Technology Readiness Levels for Energy Management in Blocks of Buildings

    Directory of Open Access Journals (Sweden)

    Tracey Crosbie

    2018-01-01

    Full Text Available Fossil fuels deliver most of the flexibility in contemporary electricity systems. The pressing need to reduce CO2 emissions requires new methods to provide this flexibility. Demand response (DR offers consumers a significant role in the delivery of flexibility by reducing or shifting their electricity usage during periods of stress or constraint. Blocks of buildings offer more flexibility in the timing and use of energy than single buildings, however, and a lack of relevant scalable ICT tools hampers DR in blocks of buildings. To ameliorate this problem, a current innovation project called “Demand Response in Blocks of Buildings” (DR-BoB: www.dr-bob.eu has integrated existing technologies into a scalable cloud-based solution for DR in blocks of buildings. The degree to which the DR-BoB energy management solution can increase the ability of any given site to participate in DR is dependent upon its current energy systems, i.e., the energy metering, the telemetry and control technologies in building management systems, and the existence/capacity of local power generation and storage plants. To encourage the owners and managers of blocks of buildings to participate in DR, a method of assessing and validating the technological readiness to participate in DR energy management solutions at any given site is required. This paper describes the DR-BoB energy management solution and outlines what we have called the demand response technology readiness levels (DRTRLs for the implementation of such a solution in blocks of buildings.

  13. Global value chains: Building blocks and network dynamics

    Science.gov (United States)

    Tsekeris, Theodore

    2017-12-01

    The paper employs measures and tools from complex network analysis to enhance the understanding and interpretation of structural characteristics pertaining to the Global Value Chains (GVCs) during the period 1995-2011. The analysis involves the country, sector and country-sector value chain networks to identify main drivers of structural change. The results indicate significant intertemporal changes, mirroring the increased globalization in terms of network size, strength and connectivity. They also demonstrate higher clustering and increased concentration of the most influential countries and country-sectors relative to all others in the GVC network, with the geographical dimension to prevail over the sectoral dimension in the formation of value chains. The regionalization and less hierarchical organization drive country-sector production sharing, while the sectoral value chain network has become more integrated and more competitive over time. The findings suggest that the impact of country-sector policies and/or shocks may vary with the own-group and network-wide influence of each country, take place in multiple geographical scales, as GVCs have a block structure, and involve time dynamics.

  14. Building Blocks of Psychology: on Remaking the Unkept Promises of Early Schools.

    Science.gov (United States)

    Gozli, Davood G; Deng, Wei Sophia

    2018-03-01

    The appeal and popularity of "building blocks", i.e., simple and dissociable elements of behavior and experience, persists in psychological research. We begin our assessment of this research strategy with an historical review of structuralism (as espoused by E. B. Titchener) and behaviorism (espoused by J. B. Watson and B. F. Skinner), two movements that held the assumption in their attempts to provide a systematic and unified discipline. We point out the ways in which the elementism of the two schools selected, framed, and excluded topics of study. After the historical review, we turn to contemporary literature and highlight the persistence of research into building blocks and the associated framing and exclusions in psychological research. The assumption that complex categories of human psychology can be understood in terms of their elementary components and simplest forms seems indefensible. In specific cases, therefore, reliance on the assumption requires justification. Finally, we review alternative strategies that bypass the commitment to building blocks.

  15. Prediction of Biomolecular Complexes

    KAUST Repository

    Vangone, Anna

    2017-04-12

    Almost all processes in living organisms occur through specific interactions between biomolecules. Any dysfunction of those interactions can lead to pathological events. Understanding such interactions is therefore a crucial step in the investigation of biological systems and a starting point for drug design. In recent years, experimental studies have been devoted to unravel the principles of biomolecular interactions; however, due to experimental difficulties in solving the three-dimensional (3D) structure of biomolecular complexes, the number of available, high-resolution experimental 3D structures does not fulfill the current needs. Therefore, complementary computational approaches to model such interactions are necessary to assist experimentalists since a full understanding of how biomolecules interact (and consequently how they perform their function) only comes from 3D structures which provide crucial atomic details about binding and recognition processes. In this chapter we review approaches to predict biomolecular complexesBiomolecular complexes, introducing the concept of molecular dockingDocking, a technique which uses a combination of geometric, steric and energetics considerations to predict the 3D structure of a biological complex starting from the individual structures of its constituent parts. We provide a mini-guide about docking concepts, its potential and challenges, along with post-docking analysis and a list of related software.

  16. Origami-inspired building block and parametric design for mechanical metamaterials

    International Nuclear Information System (INIS)

    Jiang, Wei; Ma, Hua; Feng, Mingde; Yan, Leilei; Wang, Jiafu; Wang, Jun; Qu, Shaobo

    2016-01-01

    An origami-based building block of mechanical metamaterials is proposed and explained by introducing a mechanism model based on its geometry. According to our model, this origami mechanism supports response to uniaxial tension that depends on structure parameters. Hence, its mechanical properties can be tunable by adjusting the structure parameters. Experiments for poly lactic acid (PLA) samples were carried out, and the results are in good agreement with those of finite element analysis (FEA). This work may be useful for designing building blocks of mechanical metamaterials or other complex mechanical structures. (paper)

  17. Molecular Building Blocks for Nanotechnology From Diamondoids to Nanoscale Materials and Applications

    CERN Document Server

    Mansoori, G. Ali; Assoufid, Lahsen; Zhang, Guoping

    2007-01-01

    This book is a result of the research and educational activities of a group of outstanding scientists worldwide who have authored the chapters of this book dealing with the behavior of nanoscale building blocks. It contains a variety of subjects covering computational, dry and wet nanotechnology. The state-of-the-art subject matters presented here provide the reader with the latest developments on ongoing nanoscience and nanotechnology research from the bottom-up approach, which starts with with atoms and molecules as molecular building blocks.

  18. Dual-mode MOS SOI nanoscale transistor serving as a building block for optical communication between blocks

    Science.gov (United States)

    Bendayan, Michael; Sabo, Roi; Zolberg, Roee; Mandelbaum, Yaakov; Chelly, Avraham; Karsenty, Avi

    2017-02-01

    We developed a new type of silicon MOSFET Quantum Well transistor, coupling both electronic and optical properties which should overcome the indirect silicon bandgap constraint, and serve as a future light emitting device in the range 0.8-2μm, as part of a new building block in integrated circuits allowing ultra-high speed processors. Such Quantum Well structure enables discrete energy levels for light recombination. Model and simulations of both optical and electric properties are presented pointing out the influence of the channel thickness and the drain voltage on the optical emission spectrum.

  19. Media Peace Discourse: Constraints, Concepts and Building Blocks

    Directory of Open Access Journals (Sweden)

    Dov Shinar

    2004-07-01

    Full Text Available Normative, professional, and academic premises steer the discussion of the importance and the absence of a peace discourse in the media, and of the need and possibility to invent one. Among the possible points of departure are that the media should be involved in the promotion of peace; that peace coverage is hindered by the absence of a peace discourse in the professional media repertoire; and that the creation, development, and marketing of a media peace discourse should be included in the current research agenda. The development of a peace-oriented media discourse can be assisted by three conceptual elements, namely, the existing strategies employed by the media to cover peace; the competition in the media among dominant and alternative frames, in which news-value is the measure of success; and the concept of “constitutive rhetoric” – the creation, change and legitimization of realities through texts, rhetorical constructs and the manipulation of symbols – as a discourse-building device. Research on the three major strategies used by the media in the coverage of peace – Framing Peace Coverage in War Discourse; Trivialization; and Ritualization – suggests that the latter fits this conceptual framework better than the others, and thus is more suitable for the development of a media peace discourse. Some findings and models of media research can be used for conceptual leverage by providing paradigmatic frameworks and variables. Good examples include the media events and the textual analysis genres, as they are particularly related to professional effects; narrative techniques; and performance styles; and concepts such as “master-frames” and “super-texts” – major motifs, composed of many smaller frames or sub-texts – to suggest the potential contents of a media peace discourse. Finally, it is proposed that research and development efforts of media peace coverage along these lines should include work on adapting the current

  20. Fluorinated building blocks for next-generation polymer electrolyte membrane fuel cells

    NARCIS (Netherlands)

    Wadekar, M.N.

    2012-01-01

    The purpose of this thesis is to design, create and study basic building blocks for the construction of self-assembled nanostructured electrodes and membranes for PEMFC. The research described deals with the synthesis of polymerizable fluorosurfactant (1) and its non-polymerizable analogue (2) and

  1. Synthesis of N-protected Galactosamine Building Blocks from D-Tagatose via the Heyns Rearrangement

    DEFF Research Database (Denmark)

    Wrodnigg, Tanja M.; Lundt, Inge; Stütz, Arnold E.

    2006-01-01

    N-Acetyl-D-galactosamine (11), a very important naturally occurring building block of oligosaccharides, is easily accessible via the Heyns rearrangement of D-tagatose (3) with benzylamine. The short and efficient synthesis of various differently N-protected D-galactosamine derivatives is reported....

  2. How Crossover Speeds up Building Block Assembly in Genetic Algorithms.

    Science.gov (United States)

    Sudholt, Dirk

    2017-01-01

    We reinvestigate a fundamental question: How effective is crossover in genetic algorithms in combining building blocks of good solutions? Although this has been discussed controversially for decades, we are still lacking a rigorous and intuitive answer. We provide such answers for royal road functions and OneMax, where every bit is a building block. For the latter, we show that using crossover makes every ([Formula: see text]+[Formula: see text]) genetic algorithm at least twice as fast as the fastest evolutionary algorithm using only standard bit mutation, up to small-order terms and for moderate [Formula: see text] and [Formula: see text]. Crossover is beneficial because it can capitalize on mutations that have both beneficial and disruptive effects on building blocks: crossover is able to repair the disruptive effects of mutation in later generations. Compared to mutation-based evolutionary algorithms, this makes multibit mutations more useful. Introducing crossover changes the optimal mutation rate on OneMax from [Formula: see text] to [Formula: see text]. This holds both for uniform crossover and k-point crossover. Experiments and statistical tests confirm that our findings apply to a broad class of building block functions.

  3. Prototypic implementations of the building block for component based open Hypermedia systems (BB/CB-OHSs)

    DEFF Research Database (Denmark)

    Mohamed, Omer I. Eldai

    2005-01-01

    In this paper we describe the prototypic implementations of the BuildingBlock (BB/CB-OHSs) that proposed to address some of the Component-based Open Hypermedia Systems (CB-OHSs) issues, including distribution and interoperability [4, 11, 12]. Four service implementations were described below. The...

  4. Green building blocks for biobased plastics: biobased processes and market development

    NARCIS (Netherlands)

    Harmsen, P.F.H.; Hackmann, M.M.

    2013-01-01

    From a chemical perspective, nearly all building blocks for plastics can be made using renewable raw materials. However, not every process is commercially feasible. Processes often remain inefficient, products have insufficient purity or the raw materials are simply too expensive. This publication

  5. Endo and Exo Diels-Alder Adducts: Temperature-Tunable Building Blocks for Selective Chemical Functionalization.

    Science.gov (United States)

    Discekici, Emre H; St Amant, Andre H; Nguyen, Shay N; Lee, In-Hwan; Hawker, Craig J; Read de Alaniz, Javier

    2018-04-18

    The development and application of a novel endo furan-protected maleimide building block is reported. The endo isomer undergoes deprotection at temperatures ∼50 °C below the exo derivative. This enables a simple and powerful approach to quantitatively and selectively introduce functional maleimide groups via temperature modulation.

  6. Stereoselective total synthesis of Oxylipin from open chain gluco-configured building block.

    Science.gov (United States)

    Borkar, Santosh Ramdas; Aidhen, Indrapal Singh

    2017-04-18

    Total synthesis of naturally occurring Oxylipin has been achieved from open chain gluco-configured building block which is readily assembled from inexpensive and commercially available D-(+)-gluconolactone. Grignard reaction and Wittig olefination reactions are key steps for the requisite CC bond formation. Copyright © 2017. Published by Elsevier Ltd.

  7. Programming in biomolecular computation

    DEFF Research Database (Denmark)

    Hartmann, Lars Røeboe; Jones, Neil; Simonsen, Jakob Grue

    2011-01-01

    Our goal is to provide a top-down approach to biomolecular computation. In spite of widespread discussion about connections between biology and computation, one question seems notable by its absence: Where are the programs? We identify a number of common features in programming that seem...... conspicuously absent from the literature on biomolecular computing; to partially redress this absence, we introduce a model of computation that is evidently programmable, by programs reminiscent of low-level computer machine code; and at the same time biologically plausible: its functioning is defined...... by a single and relatively small set of chemical-like reaction rules. Further properties: the model is stored-program: programs are the same as data, so programs are not only executable, but are also compilable and interpretable. It is universal: all computable functions can be computed (in natural ways...

  8. Programming in biomolecular computation

    DEFF Research Database (Denmark)

    Hartmann, Lars Røeboe; Jones, Neil; Simonsen, Jakob Grue

    2011-01-01

    conspicuously absent from the literature on biomolecular computing; to partially redress this absence, we introduce a model of computation that is evidently programmable, by programs reminiscent of low-level computer machine code; and at the same time biologically plausible: its functioning is defined...... by a single and relatively small set of chemical-like reaction rules. Further properties: the model is stored-program: programs are the same as data, so programs are not only executable, but are also compilable and interpretable. It is universal: all computable functions can be computed (in natural ways......Our goal is to provide a top-down approach to biomolecular computation. In spite of widespread discussion about connections between biology and computation, one question seems notable by its absence: Where are the programs? We identify a number of common features in programming that seem...

  9. Transportable Payload Operations Control Center reusable software: Building blocks for quality ground data systems

    Science.gov (United States)

    Mahmot, Ron; Koslosky, John T.; Beach, Edward; Schwarz, Barbara

    1994-01-01

    The Mission Operations Division (MOD) at Goddard Space Flight Center builds Mission Operations Centers which are used by Flight Operations Teams to monitor and control satellites. Reducing system life cycle costs through software reuse has always been a priority of the MOD. The MOD's Transportable Payload Operations Control Center development team established an extensive library of 14 subsystems with over 100,000 delivered source instructions of reusable, generic software components. Nine TPOCC-based control centers to date support 11 satellites and achieved an average software reuse level of more than 75 percent. This paper shares experiences of how the TPOCC building blocks were developed and how building block developer's, mission development teams, and users are all part of the process.

  10. Fundamental Autopoietic Building Blocks in 4.0 Organization as a Challenge to Humane Organization

    Directory of Open Access Journals (Sweden)

    Tanja Balažic Peček

    2017-12-01

    Full Text Available Research question (RQ: The area of a human, organizations and Organizations is complex and with new aspects of 4.0 organization even more complex. We did an autopoietic outline with horizontal and vertical view of a researcher who sticks to humanity of an individual and organizations. The research question stems from the central study: Which are building blocks of autopoises in a modern and which in 4.0 organization? Purpose: To detect, recognize, research principles of autopoiesis and setting building blocks of autopoiesis in organizations. We are interested in a human in organization, in interpersonal co-dependance on micro and macro level. Inside this more and more virtual organization we are studying a human, humanity and human potential as a creative potential of humane organization. Method: Action research with mixed methods for comprehensive study of autopoietic principle and methodology of setting the autopoietic building blocks. We used Atlas.ti software and methodological informational software »Informational graph of Autopoiesis - IGA«. Validation was carried out with double triangulaton (static and dynamic view. Results: We formed and validated four directional building blocks and 36 process building blocks, which are shown in a human as: emotions, thinking, directing and activity. Significant difference in two process building blocks of autopoiesis in modern and 4.0 organization confirms the set thesis statement that the building blocks of modern and 4.0 organization are different. We detected that in 4.0 organization the process building blocks of self-/co-feeling and self-/co-referencing aregetting weaker. With results we claim that 4.0 organization is oriented mostly towards action and is getting stronger in improved communication. However, it decreases in emotions and thinking of a human in an organization. Organization: Results can serve as a guideline and challenge to humane organizations. We present the challenge how – by

  11. Block Play and Mathematics Learning in Preschool: The Effects of Building Complexity, Peer and Teacher Interactions in the Block Area, and Replica Play Materials

    Science.gov (United States)

    Trawick-Smith, Jeffrey; Swaminathan, Sudha; Baton, Brooke; Danieluk, Courtney; Marsh, Samantha; Szarwacki, Monika

    2017-01-01

    Block play has been included in early childhood classrooms for over a century, yet few studies have examined its effects on learning. Several previous investigations indicate that the complexity of block building is associated with math ability, but these studies were often conducted in adult-guided, laboratory settings. In the present…

  12. The Impact of Individual Differences, Types of Model and Social Settings on Block Building Performance among Chinese Preschoolers.

    Science.gov (United States)

    Tian, Mi; Deng, Zhu; Meng, Zhaokun; Li, Rui; Zhang, Zhiyi; Qi, Wenhui; Wang, Rui; Yin, Tingting; Ji, Menghui

    2018-01-01

    Children's block building performances are used as indicators of other abilities in multiple domains. In the current study, we examined individual differences, types of model and social settings as influences on children's block building performance. Chinese preschoolers ( N = 180) participated in a block building activity in a natural setting, and performance was assessed with multiple measures in order to identify a range of specific skills. Using scores generated across these measures, three dependent variables were analyzed: block building skills, structural balance and structural features. An overall MANOVA showed that there were significant main effects of gender and grade level across most measures. Types of model showed no significant effect in children's block building. There was a significant main effect of social settings on structural features, with the best performance in the 5-member group, followed by individual and then the 10-member block building. These findings suggest that boys performed better than girls in block building activity. Block building performance increased significantly from 1st to 2nd year of preschool, but not from second to third. The preschoolers created more representational constructions when presented with a model made of wooden rather than with a picture. There was partial evidence that children performed better when working with peers in a small group than when working alone or working in a large group. It is suggested that future study should examine other modalities rather than the visual one, diversify the samples and adopt a longitudinal investigation.

  13. The Impact of Individual Differences, Types of Model and Social Settings on Block Building Performance among Chinese Preschoolers

    Science.gov (United States)

    Tian, Mi; Deng, Zhu; Meng, Zhaokun; Li, Rui; Zhang, Zhiyi; Qi, Wenhui; Wang, Rui; Yin, Tingting; Ji, Menghui

    2018-01-01

    Children’s block building performances are used as indicators of other abilities in multiple domains. In the current study, we examined individual differences, types of model and social settings as influences on children’s block building performance. Chinese preschoolers (N = 180) participated in a block building activity in a natural setting, and performance was assessed with multiple measures in order to identify a range of specific skills. Using scores generated across these measures, three dependent variables were analyzed: block building skills, structural balance and structural features. An overall MANOVA showed that there were significant main effects of gender and grade level across most measures. Types of model showed no significant effect in children’s block building. There was a significant main effect of social settings on structural features, with the best performance in the 5-member group, followed by individual and then the 10-member block building. These findings suggest that boys performed better than girls in block building activity. Block building performance increased significantly from 1st to 2nd year of preschool, but not from second to third. The preschoolers created more representational constructions when presented with a model made of wooden rather than with a picture. There was partial evidence that children performed better when working with peers in a small group than when working alone or working in a large group. It is suggested that future study should examine other modalities rather than the visual one, diversify the samples and adopt a longitudinal investigation. PMID:29441031

  14. The Impact of Individual Differences, Types of Model and Social Settings on Block Building Performance among Chinese Preschoolers

    Directory of Open Access Journals (Sweden)

    Mi Tian

    2018-01-01

    Full Text Available Children’s block building performances are used as indicators of other abilities in multiple domains. In the current study, we examined individual differences, types of model and social settings as influences on children’s block building performance. Chinese preschoolers (N = 180 participated in a block building activity in a natural setting, and performance was assessed with multiple measures in order to identify a range of specific skills. Using scores generated across these measures, three dependent variables were analyzed: block building skills, structural balance and structural features. An overall MANOVA showed that there were significant main effects of gender and grade level across most measures. Types of model showed no significant effect in children’s block building. There was a significant main effect of social settings on structural features, with the best performance in the 5-member group, followed by individual and then the 10-member block building. These findings suggest that boys performed better than girls in block building activity. Block building performance increased significantly from 1st to 2nd year of preschool, but not from second to third. The preschoolers created more representational constructions when presented with a model made of wooden rather than with a picture. There was partial evidence that children performed better when working with peers in a small group than when working alone or working in a large group. It is suggested that future study should examine other modalities rather than the visual one, diversify the samples and adopt a longitudinal investigation.

  15. Interlocking Toy Building Blocks as Hands-On Learning Modules for Blind and Visually Impaired Chemistry Students

    Science.gov (United States)

    Melaku, Samuel; Schreck, James O.; Griffin, Kameron; Dabke, Rajeev B.

    2016-01-01

    Interlocking toy building blocks (e.g., Lego) as chemistry learning modules for blind and visually impaired (BVI) students in high school and undergraduate introductory or general chemistry courses are presented. Building blocks were assembled on a baseplate to depict the relative changes in the periodic properties of elements. Modules depicting…

  16. Amphiphilic building blocks for self-assembly: from amphiphiles to supra-amphiphiles.

    Science.gov (United States)

    Wang, Chao; Wang, Zhiqiang; Zhang, Xi

    2012-04-17

    The process of self-assembly spontaneously creates well-defined structures from various chemical building blocks. Self-assembly can include different levels of complexity: it can be as simple as the dimerization of two small building blocks driven by hydrogen bonding or as complicated as a cell membrane, a remarkable supramolecular architecture created by a bilayer of phospholipids embedded with functional proteins. The study of self-assembly in simple systems provides a fundamental understanding of the driving forces and cooperativity behind these processes. Once the rules are understood, these guidelines can facilitate the research of highly complex self-assembly processes. Among the various components for self-assembly, an amphiphilic molecule, which contains both hydrophilic and hydrophobic parts, forms one of the most powerful building blocks. When amphiphiles are dispersed in water, the hydrophilic component of the amphiphile preferentially interacts with the aqueous phase while the hydrophobic portion tends to reside in the air or in the nonpolar solvent. Therefore, the amphiphiles aggregate to form different molecular assemblies based on the repelling and coordinating forces between the hydrophilic and hydrophobic parts of the component molecules and the surrounding medium. In contrast to conventional amphiphiles, supra-amphiphiles are constructed on the basis of noncovalent interactions or dynamic covalent bonds. In supra-amphiphiles, the functional groups can be attached to the amphiphiles by noncovalent synthesis, greatly speeding their construction. The building blocks for supra-amphiphiles can be either small organic molecules or polymers. Advances in the development of supra-amphiphiles will not only enrich the family of conventional amphiphiles that are based on covalent bonds but will also provide a new kind of building block for the preparation of complex self-assemblies. When polymers are used to construct supra-amphiphiles, the resulting

  17. Synthesis of homo- and heteromultivalent carbohydrate-functionalized oligo(amidoamines using novel glyco-building blocks

    Directory of Open Access Journals (Sweden)

    Felix Wojcik

    2013-11-01

    Full Text Available We present the solid phase synthesis of carbohydrate-functionalized oligo(amidoamines with different functionalization patterns utilizing a novel alphabet of six differently glycosylated building blocks. Highly efficient in flow conjugation of thioglycosides to a double-bond presenting diethylentriamine precursor is the key step to prepare these building blocks suitable for fully automated solid-phase synthesis. Introduction of the sugar ligands via functionalized building blocks rather than postfunctionalization of the oligomeric backbone allows for the straightforward synthesis of multivalent glycoligands with full control over monomer sequence and functionalization pattern. We demonstrate the potential of this building-block approach by synthesizing oligomers with different numbers and spacing of carbohydrates and also show the feasibility of heteromultivalent glycosylation patterns by combining building blocks presenting different mono- and disaccharides.

  18. Efficient Risk Determination of Risk of Road Blocking by Means of MMS and Data of Buildings and Their Surrounding

    Science.gov (United States)

    Nose, Kazuhito; Hatake, Shuhei

    2016-06-01

    Massive earthquake named "Tonankai Massive earthquake" is predicted to occur in the near future and is feared to cause severe damage in Kinki District . "Hanshin-Awaji Massive Earthquake" in 1995 destroyed most of the buildings constructed before 1981 and not complying with the latest earthquake resistance standards. Collapsed buildings blocked roads, obstructed evacuation, rescue and firefighting operations and inflicted further damages.To alleviate the damages, it is important to predict the points where collapsed buildings are likely block the roads and to take precautions in advance. But big cities have an expanse of urban areas with densely-distributed buildings, and it requires time and cost to check each and every building whether or not it will block the road. In order to reduce blocked roads when a disaster strikes, we made a study and confirmed that the risk of road blocking can be determined easily by means of the latest technologies of survey and geographical information.

  19. Dynamic combinatorial chemistry with hydrazones: cholate-based building blocks and libraries.

    Science.gov (United States)

    Simpson, Mark G; Pittelkow, Michael; Watson, Stephen P; Sanders, Jeremy K M

    2010-03-07

    We describe an efficient and general strategy for the synthesis of dimethyl acetal functionalised steroidal hydrazides based on the cholic acid skeleton with the aim of using these compounds as building blocks for dynamic combinatorial chemistry. Deprotection of the acetal protected building blocks with TFA leads to formation of libraries containing macrocyclic N-acyl hydrazone oligomers. The isolation of several of these, and their characterisation using NMR is described. The effects on the equilibrium library distribution by varying the substituents at C-7 and C-12, extending the side-chain with glycine, and inverting the configuration at C-3 are discussed. Finally, we report the exchange properties of these macrocycles and demonstrate new examples of proof-reading and self-sorting in dynamic combinatorial libraries.

  20. Fragmented Agrarian Space: Building Blocks and Modernisation Trajectories. The Case of Slovenia

    Directory of Open Access Journals (Sweden)

    Slavič Irma Potočnik

    2017-06-01

    Full Text Available Production, processing and consumption within Slovenian agrarian space are fragmented due to physical constraints (72.4% of the territory categorised as ANC and socio-geographic factors. Based on available data, five essential building blocks of contemporary Slovenian agrarian space (available land, change management, integrated circular economy, adjustable policies, and flexibility of institutions are discussed. Interrelations among the building blocks shape the modernisation trajectories of approx. 70,000 agricultural holdings in Slovenia. The coexistence of three modernisation trajectories, i.e. practised autarky, various forms of pluri-activity, and small-scale intensive and innovative modernisation, creates a complex mosaic. The governance of multifunctional and multi-structured agrarian space is becoming more demanding.

  1. Sinusoidal oscillators and waveform generators using modern electronic circuit building blocks

    CERN Document Server

    Senani, Raj; Singh, V K; Sharma, R K

    2016-01-01

    This book serves as a single-source reference to sinusoidal oscillators and waveform generators, using classical as well as a variety of modern electronic circuit building blocks. It provides a state-of-the-art review of a large variety of sinusoidal oscillators and waveform generators and includes a catalogue of over 600 configurations of oscillators and waveform generators, describing their relevant design details and salient performance features/limitations. The authors discuss a number of interesting, open research problems and include a comprehensive collection of over 1500 references on oscillators and non-sinusoidal waveform generators/relaxation oscillators. Offers readers a single-source reference to everything connected to sinusoidal oscillators and waveform generators, using classical as well as modern electronic circuit building blocks; Provides a state-of-the-art review of a large variety of sinusoidal oscillators and waveform generators; Includes a catalog of over 600 configurations of oscillato...

  2. Building Blocks Of Innovation Within A State-Owned Enterprise (Part Two

    Directory of Open Access Journals (Sweden)

    Betsie van Zyl

    2005-11-01

    Full Text Available In this article (the second part of a two-part study the focus is on establishing a theoretical framework of state owned enterprise (SOE managers’ espoused theory of building blocks of innovation. A qualitative approach, namely Grounded Theory, supported by Theoretical Sampling, was applied in generating the primary data for the study from different management levels in the SOE. The managers’ espoused theory, based on empirical evidence, shows that innovation consisted of five important building blocks, namely contextual setting; strategic enablers; business enablers; foundational enablers; and human resources; each with its own categories and sub-categories. The study also identified barriers to innovation. An innovation diffusion framework, specifically for implementation in a government context, was proposed.

  3. Quantitative NMR Approach to Optimize the Formation of Chemical Building Blocks from Abundant Carbohydrates.

    Science.gov (United States)

    Elliot, Samuel G; Tolborg, Søren; Sádaba, Irantzu; Taarning, Esben; Meier, Sebastian

    2017-07-21

    The future role of biomass-derived chemicals relies on the formation of diverse functional monomers in high yields from carbohydrates. Recently, it has become clear that a series of α-hydroxy acids, esters, and lactones can be formed from carbohydrates in alcohol and water solvents using tin-containing catalysts such as Sn-Beta. These compounds are potential building blocks for polyesters bearing additional olefin and alcohol functionalities. An NMR approach was used to identify, quantify, and optimize the formation of these building blocks in the Sn-Beta-catalyzed transformation of abundant carbohydrates. Record yields of the target molecules can be achieved by obstructing competing reactions through solvent selection. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Cement stabilized red earth as building block and structural pavement layer

    Directory of Open Access Journals (Sweden)

    G.V. RAMA SUBBARAO

    2014-12-01

    Full Text Available Red Earth is most commonly used as material in the building and road construction. Many a times, the red earth found in various quarries is found not suitable for construction. Cement of 4 and 8% of dry mass of red earth was added to improve its suitability as building block and structural pavement material. To know the influence of waste plastic fiber on cement stabilized red earth, 1% fiber was also added to the mixture. It is shown that the compressive strength of cement stabilized red earth blocks was improved with seven days of curing. The addition of cement to red earth enhanced soaked CBR value. The soaked CBR value of fiber reinforced cement stabilized red earth was about 1.3 to 1.5 times that of unreinforced cement stabilized red earth.

  5. Synthesis of bio-based building blocks from vegetable oils: a platform chemicals approach

    Directory of Open Access Journals (Sweden)

    Desroches Myriam

    2013-01-01

    Full Text Available This review reports the synthesis of various building blocks from vegetable oils in one or two-steps syntheses. Thiol-ene coupling allows to synthesize new biobased reactants with various function and functionality with reaction conditions in agreement with green chemistry principles: it does not use neither solvent nor initiator or need simple purification step, feasible at industrial scale. Esterification and amidification were also used to insert ester or amide groups in fatty chains in order to modifiy properties of thereof synthesized polymers. Building blocks synthesized have various functions and functionality: polyols, polyacids, polyamines and dicyclocarbonates from vegetable oils and from glycerine derivatives. They were used for the synthesis of biobased polyurethanes, polyhydroxyurethanes and epoxy resins.

  6. A study of standard building blocks for the design of fault-tolerant distributed computer systems

    Science.gov (United States)

    Rennels, D. A.; Avizienis, A.; Ercegovac, M.

    1978-01-01

    This paper presents the results of a study that has established a standard set of four semiconductor VLSI building-block circuits. These circuits can be assembled with off-the-shelf microprocessors and semiconductor memory modules into fault-tolerant distributed computer configurations. The resulting multi-computer architecture uses self-checking computer modules backed up by a limited number of spares. A redundant bus system is employed for communication between computer modules.

  7. Prototypic implementations of the building block for component based open Hypermedia systems (BB/CB-OHSs)

    DEFF Research Database (Denmark)

    Mohamed, Omer I. Eldai

    2005-01-01

    In this paper we describe the prototypic implementations of the BuildingBlock (BB/CB-OHSs) that proposed to address some of the Component-based Open Hypermedia Systems (CB-OHSs) issues, including distribution and interoperability [4, 11, 12]. Four service implementations were described below....... These are the math service, navigational service, naming and location service and the storage service in addition to two communication protocols (TCP/IP and JAVA RMI)....

  8. Building Blocks: Utilizing Component-Based Software Engineering in Developing Cross-Platform Mobile Applications

    OpenAIRE

    Oskar, Andersson

    2014-01-01

    Contemporary approaches to cross-platform mobile application development, such as hybrid apps from PhoneGap and generated native apps from Xamarin, show promise in reducing development time towards Android, iOS and other platforms. At the same time, studies show that there are various problems associated with these approaches, including suffering user experiences and codebases that are difficult to maintain and test properly. In this thesis, a novel prototype framework called Building Blocks ...

  9. Synthesis of 4-Halogenated 3-Fluoro-6-methoxyquinolines: Key Building Blocks for the Synthesis of Antibiotics

    DEFF Research Database (Denmark)

    Flagstad, Thomas; Petersen, Mette Terp; Hinnerfeldt, Daniel Michael

    2014-01-01

    A practical and scalable 4-step route is presented for the synthesis of 4-bromo-3-fluoro-6-methoxyoquinoline and 3-fluoro-4-iodo-6-methoxyoquinoline from readily available 2,4-dichloro-3-fluoroquinoline with an overall yield of 81-85%. Halogenated quinoline building blocks have found much use in ...... in antimicrobial drug discovery, and the method reported here would be useful for the synthesis of these compounds. © Georg Thieme Verlag....

  10. Regulation mechanism of negative permittivity in percolating composites via building blocks

    Science.gov (United States)

    Xie, Peitao; Wang, Zhongyang; Sun, Kai; Cheng, Chuanbing; Liu, Yao; Fan, Runhua

    2017-09-01

    Percolating composites with negative permittivity can be promising candidates for metamaterials; however, building blocks of negative permittivity have not yet been put forward in percolating composites. Here, the dielectric properties of a ternary composite with Fe and SiO2-coated Fe particles dispersed in a polymer matrix were investigated in the range of 10 MHz-1 GHz. By gradually controlling the Fe/coated-Fe ratio (x), a three-dimensional conductive network could be constructed when x exceeds 0.75. The Drude-type negative permittivity was achieved by the conductive network, and its Lorentz-type dispersion was mainly attributed to dielectric resonance of coated-Fe particles. Equivalent circuit analysis demonstrated that the inductive conductive network was the decisive building block to achieve negative permittivity. Moreover, the dielectric resonance caused by coated-Fe particles was LC resonance, and this indicated that the capacitive isolated metallic particles acted as another building block to control the dispersion of negative permittivity by LC resonance. Our reported work provides a highly efficient strategy to adjust negative permittivity and will facilitate applications of negative permittivity materials.

  11. Geospatial-enabled Data Exploration and Computation through Data Infrastructure Building Blocks

    Science.gov (United States)

    Song, C. X.; Biehl, L. L.; Merwade, V.; Villoria, N.

    2015-12-01

    Geospatial data are present everywhere today with the proliferation of location-aware computing devices and sensors. This is especially true in the scientific community where large amounts of data are driving research and education activities in many domains. Collaboration over geospatial data, for example, in modeling, data analysis and visualization, must still overcome the barriers of specialized software and expertise among other challenges. The GABBs project aims at enabling broader access to geospatial data exploration and computation by developing spatial data infrastructure building blocks that leverage capabilities of end-to-end application service and virtualized computing framework in HUBzero. Funded by NSF Data Infrastructure Building Blocks (DIBBS) initiative, GABBs provides a geospatial data architecture that integrates spatial data management, mapping and visualization and will make it available as open source. The outcome of the project will enable users to rapidly create tools and share geospatial data and tools on the web for interactive exploration of data without requiring significant software development skills, GIS expertise or IT administrative privileges. This presentation will describe the development of geospatial data infrastructure building blocks and the scientific use cases that help drive the software development, as well as seek feedback from the user communities.

  12. Technological characteristics of compressed earth blocks for its use as a building material

    Science.gov (United States)

    Gomez-Villalba, Luz Stella; Camacho-Perez, Nancy; Alvarez de Buergo, Monica; Becerra-Becerra, Javier; Esmeralda Corredor-Pulido, Dery; Fort, Rafael

    2013-04-01

    We present here an innovative building technique, which uses ecological, inexpensive and environmentally friendly materials. These compressed earth blocks seem to be very good for building purposes and that is why we have characterized three types of compressed earth blocks (CEB, named by their color as yellow, grey and red) mineralogically by means of X ray diffraction XRD and scanning electron microscopy SEM (both blocks and raw materials), petrographically by polarizing optical light microscopy POLM, and SEM, and, mainly, petrophysically: their hydric, physical and physico-mechanical properties by means of determining their capillary water absorption, porosity (open or accessible to water, pore size distribution and micro/macroporosity), and densities, color and ultrasound velocity (together with anisotropy). The particularities of these analyzed materials show that some varieties are more durable than others, and that all of them can be used as building materials with some restrictions related to their appropriate placing in the structures and the exposure to water. Acknowledgements: This work is supported by the GEOMATERIALES (S2009/MAT-1629) and CONSOLIDER-TCP (CSD2007-0058) programmes. Thanks also to the UCM (Complutense University of Madrid) Research Group "Alteración y conservación de los materiales pétreos del patrimonio" / Alteration and conservation of heritage stone materials (ref. 921349).

  13. Biomolecular EPR spectroscopy

    CERN Document Server

    Hagen, Wilfred Raymond

    2008-01-01

    Comprehensive, Up-to-Date Coverage of Spectroscopy Theory and its Applications to Biological SystemsAlthough a multitude of books have been published about spectroscopy, most of them only occasionally refer to biological systems and the specific problems of biomolecular EPR (bioEPR). Biomolecular EPR Spectroscopy provides a practical introduction to bioEPR and demonstrates how this remarkable tool allows researchers to delve into the structural, functional, and analytical analysis of paramagnetic molecules found in the biochemistry of all species on the planet. A Must-Have Reference in an Intrinsically Multidisciplinary FieldThis authoritative reference seamlessly covers all important bioEPR applications, including low-spin and high-spin metalloproteins, spin traps and spin lables, interaction between active sites, and redox systems. It is loaded with practical tricks as well as do's and don'ts that are based on the author's 30 years of experience in the field. The book also comes with an unprecedented set of...

  14. Programming in biomolecular computation

    DEFF Research Database (Denmark)

    Hartmann, Lars Røeboe; Jones, Neil; Simonsen, Jakob Grue

    2010-01-01

    , by programs reminiscent of low-level computer machine code; and at the same time biologically plausible: its functioning is defined by a single and relatively small set of chemical-like reaction rules. Further properties: the model is stored-program: programs are the same as data, so programs are not only......Our goal is to provide a top-down approach to biomolecular computation. In spite of widespread discussion about connections between biology and computation, one question seems notable by its absence: Where are the programs? We introduce a model of computation that is evidently programmable...... executable, but are also compilable and interpretable. It is universal: all computable functions can be computed (in natural ways and without arcane encodings of data and algorithm); it is also uniform: new “hardware” is not needed to solve new problems; and (last but not least) it is Turing complete...

  15. Utilization of the Building-Block Approach in Structural Mechanics Research

    Science.gov (United States)

    Rouse, Marshall; Jegley, Dawn C.; McGowan, David M.; Bush, Harold G.; Waters, W. Allen

    2005-01-01

    In the last 20 years NASA has worked in collaboration with industry to develop enabling technologies needed to make aircraft safer and more affordable, extend their lifetime, improve their reliability, better understand their behavior, and reduce their weight. To support these efforts, research programs starting with ideas and culminating in full-scale structural testing were conducted at the NASA Langley Research Center. Each program contained development efforts that (a) started with selecting the material system and manufacturing approach; (b) moved on to experimentation and analysis of small samples to characterize the system and quantify behavior in the presence of defects like damage and imperfections; (c) progressed on to examining larger structures to examine buckling behavior, combined loadings, and built-up structures; and (d) finally moved to complicated subcomponents and full-scale components. Each step along the way was supported by detailed analysis, including tool development, to prove that the behavior of these structures was well-understood and predictable. This approach for developing technology became known as the "building-block" approach. In the Advanced Composites Technology Program and the High Speed Research Program the building-block approach was used to develop a true understanding of the response of the structures involved through experimentation and analysis. The philosophy that if the structural response couldn't be accurately predicted, it wasn't really understood, was critical to the progression of these programs. To this end, analytical techniques including closed-form and finite elements were employed and experimentation used to verify assumptions at each step along the way. This paper presents a discussion of the utilization of the building-block approach described previously in structural mechanics research and development programs at NASA Langley Research Center. Specific examples that illustrate the use of this approach are

  16. Synthesis of Orthogonally Protected Muramic Acid Building Blocks for Solid Phase Peptide Synthesis

    Directory of Open Access Journals (Sweden)

    Kristina Vlahoviček-Kahlina

    2015-07-01

    Full Text Available Muramic acid is found in many peptide natural products containing oligo(polysaccharide moieties. Taking into consideration that the Fmoc methodology is routinely used for solid-phase peptide synthesis, preparation of orthogonally protected muramic acid building blocks for total solid-phase synthesis of these natural products is of particular practical importance. Herein a simple and efficient synthesis of benzyl 2-amino-4,6-O-benzylidene-3-O-[(R-1-carboxyethyl]-2-deoxy-N-9-fluorenylmethyloxycarbonyl-α-D-glucopyranoside (6 from N-acetylglucosamine (1 is described. Important improvements over previous synthetic approaches to glucopyranosides 2 (benzyl 2-acetamido-2-deoxy-α-D-glucopyranoside and 3 (benzyl 2-acetamido-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside, key building blocks in preparation of 6, include synthesis simplification and efficient isolation and purification. Optically pure (S-2-chloropropionic acid 7 was prepared and introduced to the positon 3-O of sugar moiety to give compound 4 (benzyl 2-acetamido-4,6-O-benzylidene-3-O-[(R-1-carboxyethyl]-2-deoxy-α-D-glucopyranoside with the (R-configuration of the lactyl side-chain in excellent overall yield and optical purity. Deacetylation of amino group gave compound 5 (benzyl 2-amino-4,6-O-benzylidene-3-O-[(R-1-carboxyethyl]-2-deoxy-α-D-glucopyranoside suitable for incorporation of the Fmoc protecting group to give protected muramic acid derivative 6, a useful building block in peptide synthesis.

  17. Metal-Organic Frameworks: Building Block Design Strategies for the Synthesis of MOFs.

    KAUST Repository

    Luebke, Ryan

    2014-09-01

    A significant and ongoing challenge in materials chemistry and furthermore solid state chemistry is to design materials with the desired properties and characteristics. The field of Metal-Organic Frameworks (MOFs) offers several strategies to address this challenge and has proven fruitful at allowing some degree of control over the resultant materials synthesized. Several methodologies for synthesis of MOFs have been developed which rely on use of predetermined building blocks. The work presented herein is focused on the utilization of two of these design principles, namely the use of molecular building blocks (MBBs) and supermolecular building blocks (SBBs) to target MOF materials having desired connectivities (topologies). These design strategies also permit the introduction of specific chemical moieties, allowing for modification of the MOFs properties. This research is predominantly focused on two platforms (rht-MOFs and ftw-MOFs) which topologically speaking are edge transitive binodal nets; ftw being a (4,12)-connected net and rht being a (3,24)-connected net. These highly connected nets (at least one node having connectivity greater than eight) have been purposefully targeted to increase the predictability of structural outcome. A general trend in topology is that there is an inverse relationship between the connectivity of the node(s) and the number of topological outcomes. Therefore the key to this research (and to effective use of the SBB and MBB approaches) is identification of conditions which allow for reliable formation of the targeted MBBs and SBBs. In the case of the research presented herein: a 12-connected Group IV or Rare Earth based hexanuclear MBB and a 24-connected transition metal based SBB were successfully targeted and synthesized. These two synthetic platforms will be presented and used as examples of how these design methods have been (and can be further) utilized to modify existing materials or develop new materials for gas storage and

  18. POMzites: a family of zeolitic polyoxometalate frameworks from a minimal building block library

    OpenAIRE

    Boyd, Thomas; Mitchell, Scott G.; Gabb, David; Long, De-Liang; Song, Yu-Fei; Cronin, Leroy

    2017-01-01

    We describe why the cyclic heteropolyanion [P8W48O184]40? (abbreviated as {P8W48}) is an ideal building block for the construction of intrinsically porous framework materials by classifying and analyzing >30 coordination polymers incorporating this polyoxometalate (POM) ligand. This analysis shows that the exocyclic coordination of first-row transition metals (TMs) to {P8W48} typically yields frameworks which extend through {W?O?TM?O?W} bridges in one, two, or three dimensions. However, despi...

  19. InGaN micro-LED-pillar as the building block for high brightness emitters

    KAUST Repository

    Shen, Chao

    2013-01-01

    In summary, we confirmed the improved electrical and optical characteristics, with reduced efficiency droop in InGaN μLED-pillars when these devices were scaled down in size. We demonstrated that strain relief contributed to further improvement in EQE characteristics in small InGaN μLED-pillars (D < 50 μm), apart from the current spreading effect. The μLED-pillar can be deployed as the building block for large effective-area, high brightness emitter. © 2013 IEEE.

  20. Clinical postconference pedagogy: exploring evidence-based practice with millennial-inspired "Building Blocks".

    Science.gov (United States)

    Schams, Kristin A; Kuennen, Jackie K

    2012-01-01

    This article reports an innovative teaching strategy consisting of learning units whereby students come to postconference sessions prepared to share evidence-based practice (EBP) information associated with upcoming laboratory concepts, discover relationships among laboratory concepts and current nursing practice, and associate personal clinical experiences with the practice environment. This strategy, named "Building Blocks," represents one method to transform nursing education into a more active process, and also has the potential to prepare graduates who can function in a dynamic health care environment incorporating EBP.

  1. Discrete multiporphyrin pseudorotaxane assemblies from di- and tetravalent porphyrin building blocks

    Directory of Open Access Journals (Sweden)

    Mirko Lohse

    2015-05-01

    Full Text Available Two pairs of divalent and tetravalent porphyrin building blocks carrying the complementary supramolecular crown ether/secondary ammonium ion binding motif have been synthesized and their derived pseudorotaxanes have been studied by a combination of NMR spectroscopy in solution and ESI mass spectrometry in the gas phase. By simple mixing of the components the formation of discrete dimeric and trimeric (metalloporphyrin complexes predominates, in accordance to binding stoichiometry, while the amount of alternative structures can be neglected. Our results illustrate the power of multivalency to program the multicomponent self-assembly of specific entities into discrete functional nanostructures.

  2. Search for water and life's building blocks in the Universe: An Introduction

    Science.gov (United States)

    Kwok, Sun

    Water and organics are commonly believed to be the essential ingredients for life on Earth. The development of infrared and submillimeter observational techniques has resulted in the detection of water in circumstellar envelopes, interstellar clouds, comets, asteroids, planetary satellites and the Sun. Complex organics have also been found in stellar ejecta, diffuse and molecular clouds, meteorites, interplanetary dust particles, comets and planetary satellites. In this Focus Meeting, we will discuss the origin, distribution, and detection of water and other life's building blocks both inside and outside of the Solar System. The possibility of extraterrestrial organics and water on the origin of life on Earth will also be discussed.

  3. Culture’s building blocks: Investigating cultural evolution in a LEGO construction task

    DEFF Research Database (Denmark)

    McGraw, John J.; Wallot, Sebastian; Mitkidis, Panagiotis

    2014-01-01

    to culture remains little more than a suggestive trope. Whereas the modern synthesis of evolutionary theory has provided an encompassing scientific framework for the selection and transmission of biological adaptations, a convincing theory of cultural evolution has yet to emerge. One of the greatest...... challenges for theorists is identifying the appropriate time scales and units of analysis in order to reduce the intractably large and complex phenomenon of “culture” into its component “building blocks.” In this paper, we present a model for scientifically investigating cultural processes by analyzing...

  4. A Concise Synthesis of Glycolipids Based on Aspartic Acid Building Blocks

    Directory of Open Access Journals (Sweden)

    Lorna Abbey

    2012-09-01

    Full Text Available L-Aspartic acid building blocks bearing galactosyl moieties were used to synthesise glycolipid mimetics of variable hydrocarbon chain length. The glycolipids were readily prepared through amide bond formation using the TBTU/HOBt coupling methodology. It was observed that, under these conditions, activation of the α-carboxylic acid of the intermediates led to near complete racemisation of the chiral centre if the reaction was carried out in the presence of a base such as triethylamine. The enantiomerically pure glycolipids were obtained after careful consideration of the synthetic sequence and by performing the coupling reactions in the absence of base.

  5. Enzymatic Ligation Creates Discrete Multi-Nanoparticle Building Blocks for Self-Assembly

    Energy Technology Data Exchange (ETDEWEB)

    Claridge, Shelley A.; Mastroianni, Alexander J.; Au, Yeung B.; Liang, Huiyang W.; Micheel, Christine M.; Frechet, Jean M.J.; Alivisatos, A. Paul

    2008-05-27

    Enzymatic ligation of discrete nanoparticle?DNA conjugates creates nanoparticle dimer and trimer structures in which the nanoparticles are linked by single-stranded DNA, rather than double-stranded DNA as in previous experiments. Ligation is verified by agarose gel and small-angle X-ray scattering. This capability is utilized in two ways: first to create a new class of multiparticle building blocks for nanoscale self-assembly; second to develop a system which can amplify a population of discrete nanoparticle assemblies.

  6. Optimum Compressive Strength of Hardened Sandcrete Building Blocks with Steel Chips

    Directory of Open Access Journals (Sweden)

    Alohan Omoregie

    2013-02-01

    Full Text Available The recycling of steel chips into an environmentally friendly, responsive, and profitable commodity in the manufacturing and construction industries is a huge and difficult challenge. Several strategies designed for the management and processing of this waste in developed countries have been largely unsuccessful in developing countries mainly due to its capital-intensive nature. To this end, this investigation attempts to provide an alternative solution to the recycling of this material by maximizing its utility value in the building construction industry. This is to establish their influence on the compressive strength of sandcrete hollow blocks and solid cubes with the aim of specifying the range percent of steel chips for the sandcrete optimum compressive strength value. This is particularly important for developing countries in sub-Saharan Africa, and even Latin America where most sandcrete blocks exhibit compressive strengths far below standard requirements. Percentages of steel chips relative to the weight of cement were varied and blended with the sand in an attempt to improve the sand grading parameters. The steel chips variations were one, two, three, four, five, ten and fifteen percent respectively. It was confirmed that the grading parameters were improved and there were significant increases in the compressive strength of the blocks and cube samples. The greatest improvement was noticed at four percent steel chips and sand combination. Using the plotted profile, the margin of steel chips additions for the optimum compressive strength was also established. It is recommended that steel chip sandcrete blocks are suitable for both internal load bearing, and non-load bearing walls, in areas where they are not subjected to moisture ingress. However, for external walls, and in areas where they are liable to moisture attack after laying, the surfaces should be well rendered. Below ground level, the surfaces should be coated with a water

  7. Simulation of Biomolecular Nanomechanical Systems

    Science.gov (United States)

    2006-10-01

    Dynamics of Surface Immobilized DNA”, J. Chem. Phys., Vol. 120, pp 4958-4968 (2004). 9. J. C. Stachowiak , M. Yue, K. Castelino, N. Lacevic, A. Chakraborty...J. C. Stachowiak , A. Majumdar, “Cantilever arrays for multiplexed mechanical analysis of biomolecular reactions,” Molecular and Cellular Biomechanics...290-299 (2004). 4. M. Yue, J. C. Stachowiak , A. Majumdar, “Cantilever arrays for multiplexed mechanical analysis of biomolecular reactions

  8. Determination of lead equivalent thickness to building blocks used in shielding of diagnostic x-ray rooms in Syria

    International Nuclear Information System (INIS)

    Kawash, A.; Khedr, M.; Wannus, K.; Souliman, J.; Al-Oudat, M.

    1998-06-01

    Lead equivalent thicknesses of various kinds of blocks (Hollow core, solid, filled, roof) with different thicknesses were determined. These blocks are widely used for building the diagnostic X-rya departments in Syria. Different applied voltages at X-ray tube (65, 85, 100, 125, 150 KVp) were examined. The results showed that the highest lead equivalent thicknesses for hollow core blocks were at 100 KVp. These equivalent thicknesses were 0.4372, 0.7008 and 0.928 mm for block thicknesses of 10, 15 and 20 cm, respectively. it was also found that, the lead equivalent thicknesses for filled, solid and concrete block were 3.5 to 4 times higher than that of the hollow core block for the same thicknesses and the applied KVp. Values obtained for roof blocks were similar to that of hollow core for the same conditions and geometry. (Author)

  9. Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks.

    Science.gov (United States)

    Matsubara, Hiroki; Kikugawa, Gota; Ishikiriyama, Mamoru; Yamashita, Seiji; Ohara, Taku

    2017-09-21

    Thermal conductivity of a material can be comprehended as being composed of microscopic building blocks relevant to the energy transfer due to a specific microscopic process or structure. The building block is called the partial thermal conductivity (PTC). The concept of PTC is essential to evaluate the contributions of various molecular mechanisms to heat conduction and has been providing detailed knowledge of the contribution. The PTC can be evaluated by equilibrium molecular dynamics (EMD) and non-equilibrium molecular dynamics (NEMD) in different manners: the EMD evaluation utilizes the autocorrelation of spontaneous heat fluxes in an equilibrium state whereas the NEMD one is based on stationary heat fluxes in a non-equilibrium state. However, it has not been fully discussed whether the two methods give the same PTC or not. In the present study, we formulate a Green-Kubo relation, which is necessary for EMD to calculate the PTCs equivalent to those by NEMD. Unlike the existing theories, our formulation is based on the local equilibrium hypothesis to describe a clear connection between EMD and NEMD simulations. The equivalence of the two derivations of PTCs is confirmed by the numerical results for liquid methane and butane. The present establishment of the EMD-NEMD correspondence makes the MD analysis of PTCs a robust way to clarify the microscopic origins of thermal conductivity.

  10. Concept analysis and the building blocks of theory: misconceptions regarding theory development.

    Science.gov (United States)

    Bergdahl, Elisabeth; Berterö, Carina M

    2016-10-01

    The purpose of this article is to discuss the attempts to justify concepts analysis as a way to construct theory - a notion often advocated in nursing. The notion that concepts are the building blocks or threads from which theory is constructed is often repeated. It can be found in many articles and well-known textbooks. However, this notion is seldom explained or defended. The notion of concepts as building blocks has also been questioned by several authors. However, most of these authors seem to agree to some degree that concepts are essential components from which theory is built. Discussion paper. Literature was reviewed to synthesize and debate current knowledge. Our point is that theory is not built by concepts analysis or clarification and we will show that this notion has its basis in some serious misunderstandings. We argue that concept analysis is not a part of sound scientific method and should be abandoned. The current methods of concept analysis in nursing have no foundation in philosophy of science or in language philosophy. The type of concept analysis performed in nursing is not a way to 'construct' theory. Rather, theories are formed by creative endeavour to propose a solution to a scientific and/or practical problem. The bottom line is that the current style and form of concept analysis in nursing should be abandoned in favour of methods in line with modern theory of science. © 2016 John Wiley & Sons Ltd.

  11. Equivalence of the EMD- and NEMD-based decomposition of thermal conductivity into microscopic building blocks

    Science.gov (United States)

    Matsubara, Hiroki; Kikugawa, Gota; Ishikiriyama, Mamoru; Yamashita, Seiji; Ohara, Taku

    2017-09-01

    Thermal conductivity of a material can be comprehended as being composed of microscopic building blocks relevant to the energy transfer due to a specific microscopic process or structure. The building block is called the partial thermal conductivity (PTC). The concept of PTC is essential to evaluate the contributions of various molecular mechanisms to heat conduction and has been providing detailed knowledge of the contribution. The PTC can be evaluated by equilibrium molecular dynamics (EMD) and non-equilibrium molecular dynamics (NEMD) in different manners: the EMD evaluation utilizes the autocorrelation of spontaneous heat fluxes in an equilibrium state whereas the NEMD one is based on stationary heat fluxes in a non-equilibrium state. However, it has not been fully discussed whether the two methods give the same PTC or not. In the present study, we formulate a Green-Kubo relation, which is necessary for EMD to calculate the PTCs equivalent to those by NEMD. Unlike the existing theories, our formulation is based on the local equilibrium hypothesis to describe a clear connection between EMD and NEMD simulations. The equivalence of the two derivations of PTCs is confirmed by the numerical results for liquid methane and butane. The present establishment of the EMD-NEMD correspondence makes the MD analysis of PTCs a robust way to clarify the microscopic origins of thermal conductivity.

  12. Genetic programming system for building block analysis to enhance data analysis and data mining techniques

    Science.gov (United States)

    Eick, Christoph F.; Sanz, Walter D.; Zhang, Ruijian

    1999-02-01

    Recently, many computerized data mining tools and environments have been proposed for finding interesting patterns in large data collections. These tools employ techniques that originate from research in various areas, such as machine learning, statistical data analysis, and visualization. Each of these techniques makes assumptions concerning the composition of the data collection to be analyzed. If the particular data collection does not meet these assumptions well, the technique usually performs poorly. For example, decision tree tools, such as C4.5, rely on rectangular approximations, which do not perform well if the boundaries between different classes have other shapes, such as a 45 degree line or elliptical shapes. However, if we could find a transformation f that transforms the original attribute space, in which class boundaries are more, better rectangular approximations could be obtained. In this paper, we address the problem of finding such transformations f. We describe the features of the tool, WOLS, whose goal is the discovery of ingredients for such transformation functions f, which we call building blocks. The tool employs genetic programming and symbolic regression for this purpose. We also present and discuss the results of case studies, using the building block analysis tool, in the areas of decision tree learning and regression analysis.

  13. Measuring the health systems impact of disease control programmes: a critical reflection on the WHO building blocks framework.

    Science.gov (United States)

    Mounier-Jack, Sandra; Griffiths, Ulla K; Closser, Svea; Burchett, Helen; Marchal, Bruno

    2014-03-25

    The WHO health systems Building Blocks framework has become ubiquitous in health systems research. However, it was not developed as a research instrument, but rather to facilitate investments of resources in health systems. In this paper, we reflect on the advantages and limitations of using the framework in applied research, as experienced in three empirical vaccine studies we have undertaken. We argue that while the Building Blocks framework is valuable because of its simplicity and ability to provide a common language for researchers, it is not suitable for analysing dynamic, complex and inter-linked systems impacts. In our three studies, we found that the mechanical segmentation of effects by the WHO building blocks, without recognition of their interactions, hindered the understanding of impacts on systems as a whole. Other important limitations were the artificial equal weight given to each building block and the challenge in capturing longer term effects and opportunity costs. Another criticism is not of the framework per se, but rather how it is typically used, with a focus on the six building blocks to the neglect of the dynamic process and outcome aspects of health systems.We believe the framework would be improved by making three amendments: integrating the missing "demand" component; incorporating an overarching, holistic health systems viewpoint and including scope for interactions between components. If researchers choose to use the Building Blocks framework, we recommend that it be adapted to the specific study question and context, with formative research and piloting conducted in order to inform this adaptation. As with frameworks in general, the WHO Building Blocks framework is valuable because it creates a common language and shared understanding. However, for applied research, it falls short of what is needed to holistically evaluate the impact of specific interventions on health systems. We propose that if researchers use the framework, it

  14. Culture’s building blocks: investigating cultural evolution in a LEGO construction task

    Science.gov (United States)

    McGraw, John J.; Wallot, Sebastian; Mitkidis, Panagiotis; Roepstorff, Andreas

    2014-01-01

    One of the most essential but theoretically vexing issues regarding the notion of culture is that of cultural evolution and transmission: how a group’s accumulated solutions to invariant challenges develop and persevere over time. But at the moment, the notion of applying evolutionary theory to culture remains little more than a suggestive trope. Whereas the modern synthesis of evolutionary theory has provided an encompassing scientific framework for the selection and transmission of biological adaptations, a convincing theory of cultural evolution has yet to emerge. One of the greatest challenges for theorists is identifying the appropriate time scales and units of analysis in order to reduce the intractably large and complex phenomenon of “culture” into its component “building blocks.” In this paper, we present a model for scientifically investigating cultural processes by analyzing the ways people develop conventions in a series of LEGO construction tasks. The data revealed a surprising pattern in the selection of building bricks as well as features of car design across consecutive building sessions. Our findings support a novel methodology for studying the development and transmission of culture through the microcosm of interactive LEGO design and assembly. PMID:25309482

  15. RNA and RNP as Building Blocks for Nanotechnology and Synthetic Biology.

    Science.gov (United States)

    Ohno, Hirohisa; Saito, Hirohide

    2016-01-01

    Recent technologies that aimed to elucidate cellular function have revealed essential roles for RNA molecules in living systems. Our knowledge concerning functional and structural information of naturally occurring RNA and RNA-protein (RNP) complexes is increasing rapidly. RNA and RNP interaction motifs are structural units that function as building blocks to constitute variety of complex structures. RNA-central synthetic biology and nanotechnology are constructive approaches that employ the accumulated information and build synthetic RNA (RNP)-based circuits and nanostructures. Here, we describe how to design and construct synthetic RNA (RNP)-based devices and structures at the nanometer-scale for biological and future therapeutic applications. RNA/RNP nanostructures can also be utilized as the molecular scaffold to control the localization or interactions of target molecule(s). Moreover, RNA motifs recognized by RNA-binding proteins can be applied to make protein-responsive translational "switches" that can turn gene expression "on" or "off" depending on the intracellular environment. This "synthetic RNA and RNP world" will expand tools for nanotechnology and synthetic biology. In addition, these reconstructive approaches would lead to a greater understanding of building principle in naturally occurring RNA/RNP molecules and systems. Copyright © 2016 Elsevier Inc. All rights reserved.

  16. Dynamics of biomolecular fibers

    Science.gov (United States)

    Plewa, Joseph Steven

    We describe theoretical and experimental investigations of biomolecular dynamics. First we demonstrate a lattice Monte Carlo simulation which conserves a topological linking number by forbidding moves through cis conformations. Unlike previous models that conserve linking number, our simulated ring chains have flexibility and the scaling properties of a lattice self-avoiding walk. A linking number of order 0.2 per bond leads to an eight-percent reduction of the radius for 128-bond chains. For ring chains evolving without the conservation of linking number, we demonstrate a substantial anti-correlation between the twist and writhe variables whose sum yields the linking number. We raise the possibility that our observed anti-correlations may have counterparts in biomolecules like DNA. We then discuss experiments which combine digital video microscopy and total-internal reflection microscopy (TIRM) in a single technique (3DTIRM) which allows accurate measurement of the three-dimensional location of microscopic particles. We compare two methods for measuring the total scattered light intensity. The first method uses an external photodiode as in conventional TIRM, the second uses only digitized video frames. We employ 3DTIRM to study the material properties of yeast amyloid fibers, consisting of aggregates of Sup35 protein. We attach one end of a biotin-labelled fiber to a glass slide and the other end to a streptavidin-coated 4.4 mum polystyrene sphere. By studying the equilibrium fluctuations of the colloidal sphere, we determine the elastic modulus of the fibers, and set limits on the twisting persistence length.

  17. Object Use in Children with Autism: Building with Blocks from a Piagetian Perspective

    Directory of Open Access Journals (Sweden)

    Antonio Iannaccone

    2018-02-01

    Full Text Available AimThis study focused on the manipulation of objects by children with suspected autism spectrum disorder. The aim was to demonstrate how objects can be seen as active agents of interpersonal exchange in face-to-face interactions.ParticipantsThree children with suspected autism spectrum disorder (aged 18, 20, and 24 months were selected as representative of the sensorimotor stage of development.MethodsStarting from Piaget’s classical approach to the sensorimotor and symbolic developmental stages, the study moved toward a socio-material interpretation in which some patterns of interaction involving object manipulation seem to create a space that supports adult–child communication. In videotaped observations of verbal and non-verbal signs during an (organized free play session, each child manipulated seven small blocks of colored plastic in the presence of an adult. The observations were informed by a checklist of 14 items, including eye contact and building a tower of toy blocks from section B of the CHAT (CHecklist for Autism in Toddlers instrument.ResultsBased on a broad Piagetian perspective and recent work in the field of socio-materiality, key observations included the following: (1 sensorimotor and realistic play was observed in all three children; (2 there were some intriguing indications that objects serve as concrete mediators in the intersubjective space between adult and child; (3 some of the children’s attention patterns were visibly mediated by the object.Discussion and conclusionAll three children exhibited a particular sequence of actions. First, they manipulated the blocks through active experimentation; second, there was an apparent pause, during which, the children were in fact examining the blocks to determine how best to continue the interaction; and finally, the children monitored adult attention by means of eye contact or by restarting manipulation of the blocks. As this last step in the sequence indicated that the

  18. Remote stabilization of copper paddlewheel based molecular building blocks in metal-organic frameworks

    KAUST Repository

    Gao, Wenyang

    2015-03-24

    Copper paddlewheel based molecular building blocks (MBBs) are ubiquitous and have been widely employed for the construction of highly porous metal-organic frameworks (MOFs). However, most copper paddlewheel based MOFs fail to retain their structural integrity in the presence of water. This instability is directly correlated to the plausible displacement of coordinating carboxylates in the copper paddlewheel MBB, [Cu2(O2C-)4], by the strongly coordinating water molecules. In this comprehensive study, we illustrate the chemical stability control in the rht-MOF platform via strengthening the coordinating bonds within the triangular inorganic MBB, [Cu3O(N4-x(CH)xC-)3] (x = 0, 1, or 2). Remotely, the chemical stabilization propagated into the paddlewheel MBB to afford isoreticular rht-MOFs with remarkably enhanced water/chemical stabilities compared to the prototypal rht-MOF-1. © 2015 American Chemical Society.

  19. Isotopic evolution of the protoplanetary disk and the building blocks of Earth and the Moon

    DEFF Research Database (Denmark)

    Schiller, Martin; Bizzarro, Martin; Fernandes, Vera Assis

    2018-01-01

    Nucleosynthetic isotope variability among Solar System objects is often used to probe the genetic relationship between meteorite groups and the rocky planets (Mercury, Venus, Earth and Mars), which, in turn, may provide insights into the building blocks of the Earth-Moon system. Using this approach......, it has been inferred that no primitive meteorite matches the terrestrial composition and the protoplanetary disk material from which Earth and the Moon accreted is therefore largely unconstrained. This conclusion, however, is based on the assumption that the observed nucleosynthetic variability of inner...... into the thermally processed inner protoplanetary disk associated with the accretion of mass to the proto-Sun. The identical calcium isotope composition of Earth and the Moon reported here is a prediction of our model if the Moon-forming impact involved protoplanets or precursors that completed their accretion near...

  20. Self-assembling peptide-based building blocks in medical applications

    Energy Technology Data Exchange (ETDEWEB)

    Acar, Handan; Srivastava, Samanvaya; Chung, Eun Ji; Schnorenberg, Mathew R.; Barrett, John C.; LaBelle, James L.; Tirrell, Matthew

    2017-02-01

    Peptides and peptide-conjugates, comprising natural and synthetic building blocks, are an increasingly popular class of biomaterials. Self-assembled nanostructures based on peptides and peptide-conjugates offer advantages such as precise selectivity and multifunctionality that can address challenges and limitations in the clinic. In this review article, we discuss recent developments in the design and self-assembly of various nanomaterials based on peptides and peptide-conjugates for medical applications, and categorize them into two themes based on the driving forces of molecular self-assembly. First, we present the self-assembled nanostructures driven by the supramolecular interactions between the peptides, with or without the presence of conjugates. The studies where nanoassembly is driven by the interactions between the conjugates of peptide-conjugates are then presented. Particular emphasis is given to in vivo studies focusing on therapeutics, diagnostics, immune modulation and regenerative medicine. Finally, challenges and future perspectives are presented.

  1. Lurgi MegaMethanol technology. Delivering the building blocks for the future fuel and monomer demand

    Energy Technology Data Exchange (ETDEWEB)

    Wurzel, T. [Lurgi AG, Frankfurt/Main (Germany)

    2006-07-01

    The paper describes the central role of methanol within a changing environment with respect to feedstock availability as well as steadily growing demand in fuel and monomer demand. The current large-scale production facilities are described with respect to the technological challenges in order to ensure the availability of sufficient methanol for down-stream applications. Different down-stream applications are described which clearly confirm that methanol is the dominant C1-building block due to its chemical flexibility. It is concluded that by means of the implementation of two MTP (Methanol to Propylene) projects in China initiated the era of ''down-stream methanol'' has begun in the industry. (orig.)

  2. Extended structure design with simple molybdenum oxide building blocks and urea as a directing agent.

    Science.gov (United States)

    Veen, Sandra J; Roy, Soumyajit; Filinchuk, Yaroslav; Chernyshov, Dmitry; Petukhov, Andrei V; Versluijs-Helder, Marjan; Broersma, Alfred; Soulimani, Fouad; Visser, Tom; Kegel, Willem K

    2008-08-04

    We report here a simple one-pot directed synthesis of an oxomolybdate urea composite in which elementary molybdenum oxide building blocks are linked together with the aid of urea. This type of directed material design resulted in large rod-like crystals of an inorganic-organic hybrid extended structure of {MoO 3(NH 2-CO-NH 2)} infinity consisting of right- and left-handed helical units. In the crystal structure urea acts both as a glue that links the inorganic molybdenum units into a helix and as a supramolecular linker for the stabilization of the crystal structure as a whole. This type of molecular topology resulted in an unexpectedly high thermal stability.

  3. Power Electronics Building Blocks for implementing Smart MV/LV Distribution Transformers for Smart Grid

    Directory of Open Access Journals (Sweden)

    Marek Adamowicz

    2014-12-01

    Full Text Available With an observed increase in the involvement of active consumers in activities aimed at improving energy efficiency and increasing interest in producing energy from renewable sources, there is a need for the development of new technologies enabling the distribution network operators to offer new services and functionalities. Smart MV/LV distribution transformers are characterized by a compact three-stage design, including an input stage in the form of a controlled power electronic AC-DC converter on the MV side, intermediate stage in the form of a DC-DC converter with isolation implemented at high frequency and an output stage in the form of controlled power electronic DC-AC converter on the LV side. Topologies and functionalities of basic subsystems of smart distribution transformer are discussed in the paper using the Power Electronics Building Blocks concept. The recent results of investigations carried out at Gdańsk University of Technology are also presented.

  4. Learning and optimization with cascaded VLSI neural network building-block chips

    Science.gov (United States)

    Duong, T.; Eberhardt, S. P.; Tran, M.; Daud, T.; Thakoor, A. P.

    1992-01-01

    To demonstrate the versatility of the building-block approach, two neural network applications were implemented on cascaded analog VLSI chips. Weights were implemented using 7-b multiplying digital-to-analog converter (MDAC) synapse circuits, with 31 x 32 and 32 x 32 synapses per chip. A novel learning algorithm compatible with analog VLSI was applied to the two-input parity problem. The algorithm combines dynamically evolving architecture with limited gradient-descent backpropagation for efficient and versatile supervised learning. To implement the learning algorithm in hardware, synapse circuits were paralleled for additional quantization levels. The hardware-in-the-loop learning system allocated 2-5 hidden neurons for parity problems. Also, a 7 x 7 assignment problem was mapped onto a cascaded 64-neuron fully connected feedback network. In 100 randomly selected problems, the network found optimal or good solutions in most cases, with settling times in the range of 7-100 microseconds.

  5. Metal-oxide based nanoobjects: reactivity, building blocks for polymeric structures and structural variety

    International Nuclear Information System (INIS)

    Mueller, A.; Roy, S.

    2002-01-01

    The latest achievements in the new field of nanochemistry, i.e. investigation of reactions proceeding at selected sites of well-characterized metal-oxide based nanoobjects are reviewed. It is demonstrated that from the unique library of molybdenum-oxide based building blocks/fragments under reducing conditions in aqueous solution a huge variety of nanoobjects can be generated. Examples include the well-known molecular big-wheel of the type { Mo 176 } and big-ball of the type { Mo 132 } including their derivatives which are considered here. In addition, the by far largest structurally well-characterized cluster having 368 molybdenum atoms with the shape of a lemon is outlines and discussed [ru

  6. Dual-Functional Hydrazide-Reactive and Anhydride-Containing Oligomeric Hydrogel Building Blocks.

    Science.gov (United States)

    Kascholke, Christian; Loth, Tina; Kohn-Polster, Caroline; Möller, Stephanie; Bellstedt, Peter; Schulz-Siegmund, Michaela; Schnabelrauch, Matthias; Hacker, Michael C

    2017-03-13

    Biomimetic hydrogels are advanced biomaterials that have been developed following different synthetic routes. Covalent postfabrication functionalization is a promising strategy to achieve efficient matrix modification decoupled of general material properties. To this end, dual-functional macromers were synthesized by free radical polymerization of maleic anhydride with diacetone acrylamide (N-(1,1-dimethyl-3-oxobutyl)acrylamide) and pentaerythritol diacrylate monostearate. Amphiphilic oligomers (M n 40%). Efficient hydrazide/hydrazine immobilization depending on solution pH, hydrogel ketone content as well as ligand concentration for bioconjugation was shown and reversibility of hydrazone formation was indicated by physiologically relevant hydrazide release over 7 days. Proof-of-concept experiments with hydrazido-functionalized hyaluronan demonstrated potential for covalent aECM immobilization. The presented dual-functional macromers have perspective as reactive hydrogel building blocks for various biomedical applications.

  7. Dimeric Building Blocks for Solid-Phase Synthesis of α-Peptide-β-Peptoid Chimeras

    DEFF Research Database (Denmark)

    Seigan, Gitte Bonke; Vedel, Line; Matthias, Witt,

    2008-01-01

    Recently, a novel type of antimicrobial and proteolytically stable peptidomimetic oligomers having an α-peptide-β-peptoid chimeric backbone was reported. The present paper describes efficient protocols for the preparation of a wide range of dimeric building blocks, displaying different types...... of side-chains, for use in solid-phase synthesis (SPS) of libraries of this type of oligomers. The β-peptoid monomers were obtained by microwave-assisted aza-Michael additions to acrylic esters. Subsequent solution-phase peptide coupling with suitably protected α-amino acids afforded dimeric intermediates....... Even sluggish peptide couplings, involving sterically hindered N-alkyl-β-alanines or amino acids with bulky side-chains, gave high yields on multigram-scale when using microwave (MW) irradiation. Protecting group and side-chain manipulations were performed as one-pot solution-phase procedures to afford...

  8. On the building blocks of the M31 and Milky Way halos

    Directory of Open Access Journals (Sweden)

    Monelli Matteo

    2017-01-01

    Full Text Available We discuss the formation of the halo of M31 and the Milky Way as traced by the population of RR Lyrae stars, in comparison with the population of such stars preent in satellite dwarf galaxies. We find that both halos and the massive dwarf host a population of high amplitude short period RRab stars, absent in low-mass dwarfs. These stars are explained as the metal-rich tail of the RR Lyrae distribution ([Fe/H] ∼ - 1.5, and thus their existence imply fast chemical enrichment in the host system. Their presence in both halos implies that massive building blocks had an important role in their formation.

  9. Price-Focused Analysis of Commercially Available Building Blocks for Combinatorial Library Synthesis.

    Science.gov (United States)

    Kalliokoski, Tuomo

    2015-10-12

    Combinatorial libraries are synthesized by combining smaller reagents (building blocks), the price of which is an important component of the total costs associated with the synthetic exercise. A significant portion of commercially available reagents are too expensive for large scale work. In this study, 13 commonly used reagent classes in combinatorial library synthesis (primary and secondary amines, carboxylic acids, alcohols, ketones, aldehydes, boronic acids, acyl halides, sulfonyl chlorides, isocyanates, isothiocyanates, azides and chloroformates) were analyzed with respect to the cost, physicochemical properties (molecular weight and calculated logP), chemical diversity, and 3D-likeness using a large data set. The results define the chemical space accessible under a constraint of limited financial resources.

  10. Autonomously Self-Adhesive Hydrogels as Building Blocks for Additive Manufacturing.

    Science.gov (United States)

    Deng, Xudong; Attalla, Rana; Sadowski, Lukas P; Chen, Mengsu; Majcher, Michael J; Urosev, Ivan; Yin, Da-Chuan; Selvaganapathy, P Ravi; Filipe, Carlos D M; Hoare, Todd

    2018-01-08

    We report a simple method of preparing autonomous and rapid self-adhesive hydrogels and their use as building blocks for additive manufacturing of functional tissue scaffolds. Dynamic cross-linking between 2-aminophenylboronic acid-functionalized hyaluronic acid and poly(vinyl alcohol) yields hydrogels that recover their mechanical integrity within 1 min after cutting or shear under both neutral and acidic pH conditions. Incorporation of this hydrogel in an interpenetrating calcium-alginate network results in an interfacially stiffer but still rapidly self-adhesive hydrogel that can be assembled into hollow perfusion channels by simple contact additive manufacturing within minutes. Such channels withstand fluid perfusion while retaining their dimensions and support endothelial cell growth and proliferation, providing a simple and modular route to produce customized cell scaffolds.

  11. Exploring the Chemistry of Bicyclic Isoxazolidines for the Multicomponent Synthesis of Glycomimetic Building Blocks.

    Science.gov (United States)

    Hoogenboom, Jorin; Lutz, Martin; Zuilhof, Han; Wennekes, Tom

    2016-10-07

    Starting from a chiral furanone, the nitrone-olefin [3 + 2] cycloaddition can be used to obtain bicyclic isoxazolidines for which we report a set of reactions to selectively modify each functional position. These synthetically versatile bicyclic isoxazolidines allowed us to obtain complex glycomimetic building blocks, like iminosugars, via multicomponent chemistry. For example, a library of 20 pipecolic acid derivatives, a recurring motif in various prescription drugs, could be obtained via a one-pot Staudinger/aza-Wittig/Ugi three-component reaction of a bicyclic isoxazolidine-derived azido-hemiacetal. Notably, specific pipecolic acids in this library were obtained via hydrolysis of an unique tricyclic imidate side product of the Ugi reaction. The azido-hemiacetal was also converted into an aza-C-glycoside iminosugar via an unprecendented one-pot Staudinger/aza-Wittig/Mannich reaction.

  12. Precise positioning and assembly of metallic nanoclusters as building blocks of nanostructures: A molecular dynamics study

    Science.gov (United States)

    Mahboobi, S. H.; Meghdari, A.; Jalili, N.; Amiri, F.

    2009-12-01

    Molecular dynamics simulations are used to study the manipulation of metallic nanoclusters. These particles are assumed as potential building blocks for bottom-up manufacturing of nanoscale structures. One of the key factors in the assembly of nanoclusters is the precise positioning of them by a manipulation system. Prediction of the corresponding behavior under the influence of working conditions is of crucial importance for planning of controlled positioning and assembly of nanoclusters. The focus of the present research is on ultra-fine metallic nanoclusters. The effects of material type and manipulation strategy on the success of the process have been investigated by molecular dynamics. Such qualitative simulation studies can evaluate the chance of success of a certain nanopositioning scenario regarding different working conditions before consuming high experimental expenses.

  13. LEP : four building blocks of matter ... times three Conference MT17

    CERN Multimedia

    2001-01-01

    The four building blocks of everyday matter form a family composed of the up-quark, the down-quark, the electron and the electron-neutrino. Similar particles, heavier but otherwise identical, are known to exist - grouped together in two further families. By measuring the number of neutrino types that exist, LEP has shown that there are no more fam-ilies of particles. Nature has chosen the number three. This is an intriguing result, and the reason why there are neither more nor fewer than three particle families is one of the greatest mysteries of modern physics. One important consequence is that we exist. Had there been any fewer than three families of matter particles, the phenomenon known as CP violation - which led to matter dominating anti-matter in the early Universe - would not have occurred. All the matter and antimatter created in the Big Bang would have annihilated.

  14. Synthetic polycations with controlled charge density and molecular weight as building blocks for biomaterials.

    Science.gov (United States)

    Kleinberger, Rachelle M; Burke, Nicholas A D; Zhou, Christal; Stöver, Harald D H

    2016-01-01

    A series of polycations prepared by RAFT copolymerization of N-(3-aminopropyl)methacrylamide hydrochloride (APM) and N-(2-hydroxypropyl)methacrylamide, with molecular weights of 15 and 40 kDa, and APM content of 10-75 mol%, were tested as building blocks for electrostatically assembled hydrogels such as those used for cell encapsulation. Complexation and distribution of these copolymers within anionic calcium alginate gels, as well as cytotoxicity, cell attachment, and cell proliferation on surfaces grafted with the copolymers were found to depend on composition and molecular weight. Copolymers with lower cationic charge density and lower molecular weight showed less cytotoxicity and cell adhesion, and were more mobile within alginate gels. These findings aid in designing improved polyelectrolyte complexes for use as biomaterials.

  15. Social motivation and conflict resolution tactics as potential building blocks of sociality in cichlid fishes.

    Science.gov (United States)

    Balshine, Sigal; Wong, Marian Y L; Reddon, Adam R

    2017-08-01

    Even closely related and ecologically similar cichlid species of Lake Tanganyika exhibit an impressive diversity of social systems, and therefore these fishes offer an excellent opportunity to examine the evolution of social behaviour. Sophisticated social relationships are thought to have evolved via a building block design where more fundamental social behaviours and cognitive processes have been combined, incrementally modified, and elaborated over time. Here, we studied two of these putative social building blocks in two closely related species of cichlids: Neolamprologus pulcher, a group-living species, and Telmatochromis temporalis, a non-grouping species. Otherwise well matched in ecology, this pair of species provide an excellent comparison point to understand how behavioural processes may have been modified in relation to the evolution of sociality. Using social assays in both the laboratory and in the field, we explored each species' motivation to interact with conspecifics, and each species' conflict resolution tactics. We found that individuals of the group living species, N. pulcher, displayed higher social motivation and were more likely to produce submission displays than were individuals of the non-grouping species, T. temporalis. We argue that the motivation to interact with conspecifics is a necessary prerequisite for the emergence of group living, and that the use of submission reduces the costs of conflict and facilitates the maintenance of close social proximity. These results suggest that social motivation and conflict resolution tactics are associated with social complexity, and that these behavioural traits may be functionally significant in the evolution and maintenance of sociality. Copyright © 2017 Elsevier B.V. All rights reserved.

  16. Quantification of urban structure on building block level utilizing multisensoral remote sensing data

    Science.gov (United States)

    Wurm, Michael; Taubenböck, Hannes; Dech, Stefan

    2010-10-01

    Dynamics of urban environments are a challenge to a sustainable development. Urban areas promise wealth, realization of individual dreams and power. Hence, many cities are characterized by a population growth as well as physical development. Traditional, visual mapping and updating of urban structure information of cities is a very laborious and cost-intensive task, especially for large urban areas. For this purpose, we developed a workflow for the extraction of the relevant information by means of object-based image classification. In this manner, multisensoral remote sensing data has been analyzed in terms of very high resolution optical satellite imagery together with height information by a digital surface model to retrieve a detailed 3D city model with the relevant land-use / land-cover information. This information has been aggregated on the level of the building block to describe the urban structure by physical indicators. A comparison between the indicators derived by the classification and a reference classification has been accomplished to show the correlation between the individual indicators and a reference classification of urban structure types. The indicators have been used to apply a cluster analysis to group the individual blocks into similar clusters.

  17. [Synthesis and its application to the synthesis of biologically active natural products of new and versatile chiral building blocks].

    Science.gov (United States)

    Toyooka, N

    2001-07-01

    This article describes a design and synthesis of new and versatile chiral building blocks and its application to the biologically active natural product synthesis. The chiral building blocks were prepared using a biocatalysis in an enantiomerically pure state. As an application of the above chiral building blocks to the synthesis of biologically active natural product, we demonstrated the diastereodivergent synthesis of the 3-piperidinol alkaloids cassine, spectaline, prosafrinine, iso-6-cassine, prosophylline, prosopinine, and also established the flexible route to the 5,8-disubstituted indolizidine or 1,4-disubstituted quinolizidine type of Dendrobates alkaloids. As another application to the synthesis of biologically active alkaloids, we accomplished the first enantioselective total synthesis of marine alkaloids clavepictines A, B, and pictamine using a highly stereoselective Michael type quinolizidine ring closure reaction as the crucial step, and the first total synthesis of a marine alkaloid lepadin B was also achieved using aldol cyclization controlled by a A strain.

  18. Grid computing and biomolecular simulation.

    Science.gov (United States)

    Woods, Christopher J; Ng, Muan Hong; Johnston, Steven; Murdock, Stuart E; Wu, Bing; Tai, Kaihsu; Fangohr, Hans; Jeffreys, Paul; Cox, Simon; Frey, Jeremy G; Sansom, Mark S P; Essex, Jonathan W

    2005-08-15

    Biomolecular computer simulations are now widely used not only in an academic setting to understand the fundamental role of molecular dynamics on biological function, but also in the industrial context to assist in drug design. In this paper, two applications of Grid computing to this area will be outlined. The first, involving the coupling of distributed computing resources to dedicated Beowulf clusters, is targeted at simulating protein conformational change using the Replica Exchange methodology. In the second, the rationale and design of a database of biomolecular simulation trajectories is described. Both applications illustrate the increasingly important role modern computational methods are playing in the life sciences.

  19. Advances in metabolic pathway and strain engineering paving the way for sustainable production of chemical building blocks

    DEFF Research Database (Denmark)

    Chen, Yun; Nielsen, Jens

    2013-01-01

    Bio-based production of chemical building blocks from renewable resources is an attractive alternative to petroleum-based platform chemicals. Metabolic pathway and strain engineering is the key element in constructing robust microbial chemical factories within the constraints of cost effective...... production. Here we discuss how the development of computational algorithms, novel modules and methods, omics-based techniques combined with modeling refinement are enabling reduction in development time and thus advance the field of industrial biotechnology. We further discuss how recent technological...... developments contribute to the development of novel cell factories for the production of the building block chemicals: adipic acid, succinic acid and 3-hydroxypropionic acid....

  20. A Library of Rad Hard Mixed-Voltage/Mixed-Signal Building Blocks for Integration of Avionics Systems for Deep Space

    Science.gov (United States)

    Mojarradi, M. M.; Blaes, B.; Kolawa, E. A.; Blalock, B. J.; Li, H. W.; Buck, K.; Houge, D.

    2001-01-01

    To build the sensor intensive system-on-a-chip for the next generation spacecrafts for deep space, Center for Integration of Space Microsystems at JPL (CISM) takes advantage of the lower power rating and inherent radiation resistance of Silicon on Insulator technology (SOI). We are developing a suite of mixed-voltage and mixed-signal building blocks in Honeywell's SOI process that can enable the rapid integration of the next generation avionics systems with lower power rating, higher reliability, longer life, and enhanced radiation tolerance for spacecrafts such as the Europa Orbiter and Europa Lander. The mixed-voltage building blocks are predominantly for design of adaptive power management systems. Their design centers around an LDMOS structure that is being developed by Honeywell, Boeing Corp, and the University of Idaho. The mixed-signal building blocks are designed to meet the low power, extreme radiation requirement of deep space applications. These building blocks are predominantly used to interface analog sensors to the digital CPU of the next generation avionics system on a chip. Additional information is contained in the original extended abstract.

  1. SiC Multi-Chip Power Modules as Power-System Building Blocks

    Science.gov (United States)

    Lostetter, Alexander; Franks, Steven

    2007-01-01

    The term "SiC MCPMs" (wherein "MCPM" signifies "multi-chip power module") denotes electronic power-supply modules containing multiple silicon carbide power devices and silicon-on-insulator (SOI) control integrated-circuit chips. SiC MCPMs are being developed as building blocks of advanced expandable, reconfigurable, fault-tolerant power-supply systems. Exploiting the ability of SiC semiconductor devices to operate at temperatures, breakdown voltages, and current densities significantly greater than those of conventional Si devices, the designs of SiC MCPMs and of systems comprising multiple SiC MCPMs are expected to afford a greater degree of miniaturization through stacking of modules with reduced requirements for heat sinking. Moreover, the higher-temperature capabilities of SiC MCPMs could enable operation in environments hotter than Si-based power systems can withstand. The stacked SiC MCPMs in a given system can be electrically connected in series, parallel, or a series/parallel combination to increase the overall power-handling capability of the system. In addition to power connections, the modules have communication connections. The SOI controllers in the modules communicate with each other as nodes of a decentralized control network, in which no single controller exerts overall command of the system. Control functions effected via the network include synchronization of switching of power devices and rapid reconfiguration of power connections to enable the power system to continue to supply power to a load in the event of failure of one of the modules. In addition to serving as building blocks of reliable power-supply systems, SiC MCPMs could be augmented with external control circuitry to make them perform additional power-handling functions as needed for specific applications: typical functions could include regulating voltages, storing energy, and driving motors. Because identical SiC MCPM building blocks could be utilized in a variety of ways, the cost

  2. "Science SQL" as a Building Block for Flexible, Standards-based Data Infrastructures

    Science.gov (United States)

    Baumann, Peter

    2016-04-01

    We have learnt to live with the pain of separating data and metadata into non-interoperable silos. For metadata, we enjoy the flexibility of databases, be they relational, graph, or some other NoSQL. Contrasting this, users still "drown in files" as an unstructured, low-level archiving paradigm. It is time to bridge this chasm which once was technologically induced, but today can be overcome. One building block towards a common re-integrated information space is to support massive multi-dimensional spatio-temporal arrays. These "datacubes" appear as sensor, image, simulation, and statistics data in all science and engineering domains, and beyond. For example, 2-D satellilte imagery, 2-D x/y/t image timeseries and x/y/z geophysical voxel data, and 4-D x/y/z/t climate data contribute to today's data deluge in the Earth sciences. Virtual observatories in the Space sciences routinely generate Petabytes of such data. Life sciences deal with microarray data, confocal microscopy, human brain data, which all fall into the same category. The ISO SQL/MDA (Multi-Dimensional Arrays) candidate standard is extending SQL with modelling and query support for n-D arrays ("datacubes") in a flexible, domain-neutral way. This heralds a new generation of services with new quality parameters, such as flexibility, ease of access, embedding into well-known user tools, and scalability mechanisms that remain completely transparent to users. Technology like the EU rasdaman ("raster data manager") Array Database system can support all of the above examples simultaneously, with one technology. This is practically proven: As of today, rasdaman is in operational use on hundreds of Terabytes of satellite image timeseries datacubes, with transparent query distribution across more than 1,000 nodes. Therefore, Array Databases offering SQL/MDA constitute a natural common building block for next-generation data infrastructures. Being initiator and editor of the standard we present principles

  3. Solvent dependent assembly of lanthanide metallacrowns using building blocks with incompatible symmetry preferences.

    Science.gov (United States)

    Jankolovits, Joseph; Kampf, Jeff W; Pecoraro, Vincent L

    2014-07-21

    Solvent dependence in the assembly of coordination driven macrocycles is a poorly understood phenomenon. This work presents the solvent dependent assembly of 8 lanthanide metallacrowns (LnMCs) in solution using picoline hydroxamic acid (picHA), Zn(II), and Ln(III) ions. ESI-MS and single-crystal X-ray crystallography reveal the selective assembly of LnZn4(picHA)4(3+), LnZn5(picHA)5(3+), LnZn8(picHA)8(3+), LnZn12(picHA)12(3+), LnZn16(picHA)16(3+), Ln2Zn3(picHA)4(4+), Ln2Zn7-9(picHA)8-10, and Ln4Zn4-5(picHA)8-9 complexes in five different solvents. The coordination preferences of the hard Ln(III) ion and relatively soft Zn(II) ion dictate the solvent selectivity in this system. The LnMCs assemble with open or closed Zn(II) and/or Ln(III) coordination sites based on the behavior of the solvent as an ancillary ligand. This structural promiscuity is attributed to the symmetry incompatible building blocks, which generate assemblies with substantial geometric strain such that no clear thermodynamic minimum exists between the different LnMCs. These LnMCs assemble from a Zn5(picHA)4(2+) intermediate, which is monitored using (1)H NMR and ESI-MS to assess the stability of the complexes and possible assembly pathways based on kinetic considerations. LnMC assemblies that can be generated through central metal substitution reactions such as the LnZn4(picHA)4(3+), LnZn5(picHA)5(3+), and LnZn8(picHA)8(3+) effectively reach equilibrium after 24 h at room temperature. In contrast, LnMCs that must disrupt the Zn5L4(2+) structure to assemble, such as the LnZn16L16(3+), reach equilibrium after heating for 24 h at 65 °C. A pathway for LnMC assembly is presented where the Zn5L4(2+) is the key intermediate based on these reaction data and shared structural motifs in the complexes. These results correlate solvent dependent assembly to the building block geometry, highlighting synthetic approaches for generating novel complexes.

  4. Quantum Simulation with Circuit-QED Lattices: from Elementary Building Blocks to Many-Body Theory

    Science.gov (United States)

    Zhu, Guanyu

    Recent experimental and theoretical progress in superconducting circuits and circuit QED (quantum electrodynamics) has helped to develop high-precision techniques to control, manipulate, and detect individual mesoscopic quantum systems. A promising direction is hence to scale up from individual building blocks to form larger-scale quantum many-body systems. Although realizing a scalable fault-tolerant quantum computer still faces major barriers of decoherence and quantum error correction, it is feasible to realize scalable quantum simulators with state-of-the-art technology. From the technological point of view, this could serve as an intermediate stage towards the final goal of a large-scale quantum computer, and could help accumulating experience with the control of quantum systems with a large number of degrees of freedom. From the physical point of view, this opens up a new regime where condensed matter systems can be simulated and studied, here in the context of strongly correlated photons and two-level systems. In this thesis, we mainly focus on two aspects of circuit-QED based quantum simulation. First, we discuss the elementary building blocks of the quantum simulator, in particular a fluxonium circuit coupled to a superconducting resonator. We show the interesting properties of the fluxonium circuit as a qubit, including the unusual structure of its charge matrix elements. We also employ perturbation theory to derive the effective Hamiltonian of the coupled system in the dispersive regime, where qubit and the photon frequencies are detuned. The observables predicted with our theory, including dispersive shifts and Kerr nonlinearity, are compared with data from experiments, such as homodyne transmission and two-tone spectroscopy. These studies also relate to the problem of detection in a circuit-QED quantum simulator. Second, we study many-body physics of circuit-QED lattices, serving as quantum simulators. In particular, we focus on two different

  5. Network diversity through two-step crystal engineering of a decorated 6-connected primary molecular building block

    KAUST Repository

    Yang, Qing-Yuan

    2016-10-04

    [Cr3O(nicotinate)6]+ was isolated and then utilised as a new primary molecular building block, PMBB, linked by 2-, 3- and 4-connected metal centres. Five novel metal–organic materials (MOMs) with acs, stp, rtl, fsc and pcu topologies were thereby isolated and characterised.

  6. The Building Blocks of Digital Media Literacy: Socio-Material Participation and the Production of Media Knowledge

    Science.gov (United States)

    Dezuanni, Michael

    2015-01-01

    This article outlines the knowledge and skills students develop when they engage in digital media production and analysis in school settings. The metaphor of "digital building blocks" is used to describe the material practices, conceptual understandings and production of knowledge that lead to the development of digital media literacy.…

  7. Internet governance and global self regulation: theoretical and empirical building blocks for a general theory of self regulation

    NARCIS (Netherlands)

    Vey Mestdagh, C.; Rijgersberg, R.

    2010-01-01

    The following exposition sets out to identify the basic theoretical and empirical building blocks for a general theory of self-regulation. It uses the Internet as an empirical basis since its global reach and technical characteristics create interdependencies between actors that transcend national

  8. The asc trinodal platform: Two-step assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks

    KAUST Repository

    Schoedel, Alexander

    2013-02-10

    The self-assembly of triangular, tetrahedral, and trigonal-prismatic molecular building blocks affords the first example of a trinodal family of metal-organic materials. Four examples of isoreticular expanded and functionalized frameworks are detailed. Gas adsorption experiments validated the permanent porosity of the parent structure. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Two-body and three-body substructures served as building blocks in small spin-3 condensates

    OpenAIRE

    Bao, Chengguang

    2011-01-01

    It was found that stable few-body spin-structures, pairs and triplexes, may exist as basic constituents in small spin-3 condensates, and they will play the role as building blocks when the parameters of interaction are appropriate. Specific method is designed to find out these constituents.

  10. The Influence of Building Block Play on Mathematics Achievement and Logical and Divergent Thinking in Italian Primary School Mathematics Classes

    Science.gov (United States)

    Pirrone, Concetta; Tienken, Christopher H.; Pagano, Tatiana; Di Nuovo, Santo

    2018-01-01

    In an experimental study to explain the effect of structured Building Block Play with LEGO™ bricks on 6-year-old student mathematics achievement and in the areas of logical thinking, divergent thinking, nonverbal reasoning, and mental imagery, students in the experimental group scored significantly higher (p = 0.05) in mathematics achievement and…

  11. Building Blocks of Contemporary HRD Research: A Citation Analysis on Human Resource Development Quarterly between 2007 and 2013

    Science.gov (United States)

    Mehdiabadi, Amir Hedayati; Seo, Gaeun; Huang, Wenhao David; Han, Seung-hyun Caleb

    2017-01-01

    Human resource development is known to encapsulate a collection of social science disciplines including communications, psychology, and economics. Since these and other similar areas are the cornerstones of HRD, the changing nature of HRD demands constant reflections on the value and building blocks of contemporary HRD inquiries. This article…

  12. Bottom-up nanoarchitecture of semiconductor nano-building blocks by controllable in situ SEM-FIB thermal soldering method

    KAUST Repository

    Zhang, Xuan

    2017-08-10

    Here we demonstrate that the building blocks of semiconductor WO3 nanowires can be controllably soldered together by a novel nano-soldering technique of in situ SEM-FIB thermal soldering, in which the soldering temperature can precisely remain in an optimal range to avoid a strong thermal diffusion.

  13. Use of shock block transmitters in the structural rehabilitation of historical buildings in Calabria and Sicily

    International Nuclear Information System (INIS)

    Bianco, Alessia; Candela, Michele; Fonti, Roberta

    2008-01-01

    Many old and historical masonry buildings, located in the Calabrian and Sicilian areas near the strait of Messina, are affected by typical pattern of cracks, which are not produced by previous earthquakes. These cracks in the masonry walls are characterized by a quasi-vertical trend with constant width. The careful examination of the crack distribution allows to clearly identify the diagnosis: the damage is caused by the sinking due to a horizontal movement of translation of the ground, which is an evident effect of creep phenomena in the soil, so-called 'solifluxion'. This paper, after showing this geological pathology, proposes an innovative strategy of intervention, which consists of the use of 'oleo-dynamic' devices, so-called shock block transmitters, providing different degrees of restraint, according to the loading conditions. In addition, in case of earthquake, an important part of the in-put seismic energy can be dissipated. The strategy of application of this system to the building consists of the subdivision of each masonry wall in two different parts, which are physically separated by the cracks. Each wall portion must be consolidated separately and the different parts of walls behave as statically independent each other, so that they can move independently during the serviceability conditions. The connection among the walls composing the whole structural organism is given by metal tie-rods equipped with 'oleo dynamic' devices, which allows, in a given range, the horizontal sliding in case of slow movement due to the phenomenon of 'solifluxion'. Contrary, in case of dynamic and fast movements, such as the ones produced by an earthquake, each 'oleo dynamic' device provides a fully restraint effect and, as a consequence, the tie-rods behave in the classical way

  14. Development of biomimetic system for scale up of cell spheroids - building blocks for cell transplantation.

    Science.gov (United States)

    Baba, Kazutomo; Sankai, Yoshiyuki

    2017-07-01

    Artificial assembly of mature tissues in vitro is challenging from many viewpoints. Therefore, production of intermediate building blocks - cell spheroids expected to be a viable alternative. The purpose of this research is to develop a biomimetic system for scale up maintenance of spheroids in vitro, and to confirm basic performance of the device. The system consists of a 3D culture unit and a medium perfusion unit. The 3D culture unit is dedicated for spheroid culture without using scaffolds, eliminating concerns about biocompatibility of artificial materials. our culture vessel allows easy disassembly and tissue extraction, as well as the resulting tissue can be formed into an any desirable shape. The spheroids are cultured in a sealed environment and their life are sustained by hollow fiber perfusion fluidics. We confirmed by visual and by microscopic examination that no contamination did occur before and after spheroid inoculation. Moreover, we confirmed growth and fusion between cells when C2C12 spheroids were cultured in this system.

  15. van der Waals Solids from Self-Assembled Nanoscale Building Blocks.

    Science.gov (United States)

    Choi, Bonnie; Yu, Jaeeun; Paley, Daniel W; Trinh, M Tuan; Paley, Maria V; Karch, Jessica M; Crowther, Andrew C; Lee, Chul-Ho; Lalancette, Roger A; Zhu, Xiaoyang; Kim, Philip; Steigerwald, Michael L; Nuckolls, Colin; Roy, Xavier

    2016-02-10

    Traditional atomic van der Waals materials such as graphene, hexagonal boron-nitride, and transition metal dichalcogenides have received widespread attention due to the wealth of unusual physical and chemical behaviors that arise when charges, spins, and vibrations are confined to a plane. Though not as widespread as their atomic counterparts, molecule-based two-dimensional (2D) layered solids offer significant benefits; their structural flexibility will enable the development of materials with tunable properties. Here we describe a layered van der Waals solid self-assembled from a structure-directing building block and C60 fullerene. The resulting crystalline solid contains a corrugated monolayer of neutral fullerenes and can be mechanically exfoliated. The absorption spectrum of the bulk solid shows an optical gap of 390 ± 40 meV that is consistent with thermal activation energy obtained from electrical transport measurement. We find that the dimensional confinement of fullerenes significantly modulates the optical and electronic properties compared to the bulk solid.

  16. Tailoring a bacteriochlorin building block with cationic, amphipathic, or lipophilic substituents.

    Science.gov (United States)

    Ruzié, Christian; Krayer, Michael; Balasubramanian, Thiagarajan; Lindsey, Jonathan S

    2008-08-01

    Bacteriochlorins are attractive candidates for photodynamic therapy (PDT) of diverse medical indications owing to their strong absorption in the near-infrared (NIR) region, but their use has been stymied by lack of access to stable, synthetically malleable molecules. To overcome these limitations, a synthetic free base 3,13-dibromobacteriochlorin (BC-Br(3)Br(13)) has been exploited as a building block in the synthesis of diverse bacteriochlorins via Pd-mediated coupling reactions (Sonogashira, Suzuki, and reductive carbonylation). Each bacteriochlorin is stable to adventitious dehydrogenation by virtue of the presence of a geminal dimethyl group in each pyrroline ring. The target bacteriochlorins bear cationic, lipophilic, or amphipathic substituents at the 3- and 13- (beta-pyrrolic) positions. A dicarboxybacteriochlorin was converted to amide derivatives via the intermediate diacid chloride. A diformylbacteriochlorin was subjected to reductive amination to give aminomethyl derivatives. A set of 3,5-disubstituted aryl groups bearing lipophilic or amphipathic groups was introduced via Suzuki coupling. Altogether 22 free base bacteriochlorins have been prepared. Eight aminoalkylbacteriochlorins were quaternized with methyl iodide at two or four amine sites per molecule, which resulted in water solubility. Each bacteriochlorin exhibits a Q(y) absorption band in the range of 720-772 nm. The ability to introduce a wide variety of peripheral functional groups makes these bacteriochlorins attractive candidates for diverse applications in photomedicine including PDT in the NIR region.

  17. Markov model-based polymer assembly from force field-parameterized building blocks.

    Science.gov (United States)

    Durmaz, Vedat

    2015-03-01

    A conventional by hand construction and parameterization of a polymer model for the purpose of molecular simulations can quickly become very work-intensive and time-consuming. Using the example of polyglycerol, I present a polymer decomposition strategy yielding a set of five monomeric residues that are convenient for an instantaneous assembly and subsequent force field simulation of a polyglycerol polymer model. Force field parameters have been developed in accordance with the classical Amber force field. Partial charges of each unit were fitted to the electrostatic potential using quantum-chemical methods and slightly modified in order to guarantee a neutral total polymer charge. In contrast to similarly constructed models of amino acid and nucleotide sequences, the glycerol building blocks may yield an arbitrary degree of bifurcations depending on the underlying probabilistic model. The iterative development of the overall structure as well as the relation of linear to branching units is controlled by a simple Markov model which is presented with few algorithmic details. The resulting polymer is highly suitable for classical explicit water molecular dynamics simulations on the atomistic level after a structural relaxation step. Moreover, the decomposition strategy presented here can easily be adopted to many other (co)polymers.

  18. Identification of candidate molecules for the building blocks of life's earliest polymers

    Science.gov (United States)

    Hud, Nicholas

    2016-07-01

    Chemists have yet to find a plausible prebiotic route to RNA polymers, and most proposed mechanisms for prebiotic peptide synthesis are inefficient. We are exploring the hypothesis that RNA and peptides have both evolved from polymers with different chemical structures. We have found that molecules closely related to amino acids and the nucleobases of RNA, which were likely present on the prebiotic Earth, greatly facilitate the formation of polypeptides and RNA-like structures (Chen et al., 2014; Forsythe et al., 2015). The identification of molecules that may have served as precursors to the building blocks of extant polymers, or as prebiotic catalysts for biopolymer formation, has direct implications regarding which molecules that should be considered as possible signs of chemistries that can support the emergence of life in the universe. Furthermore, the possibility that life started with molecules that can be repeatedly cycled between their monomeric and polymeric states, as is still the case with extant biopolymers, suggests environmental characteristics that would have facilitated the formation and early evolution of functional biopolymers (Walker et al., 2012). M. C. Chen, et al., J. Am. Chem. Soc., 2014, 136, 5640-5646 J. G. Forsythe, et al., Angew. Chem., Int. Ed. Engl., 2015, 54, 9871-9875. M.A. Walker, et al., PLoS ONE, 2012, 7, e34166.

  19. Stepwise transformation of the molecular building blocks in a porphyrin-encapsulating metal-organic material

    KAUST Repository

    Zhang, ZhenJie

    2013-04-24

    When immersed in solutions containing Cu(II) cations, the microporous metal-organic material P11 ([Cd4(BPT)4]·[Cd(C 44H36N8)(S)]·[S], BPT = biphenyl-3,4′,5-tricarboxylate) undergoes a transformation of its [Cd 2(COO)6]2- molecular building blocks (MBBs) into novel tetranuclear [Cu4X2(COO)6(S) 2] MBBs to form P11-Cu. The transformation occurs in single-crystal to single-crystal fashion, and its stepwise mechanism was studied by varying the Cd2+/Cu2+ ratio of the solution in which crystals of P11 were immersed. P11-16/1 (Cd in framework retained, Cd in encapsulated porphyrins exchanged) and other intermediate phases were thereby isolated and structurally characterized. P11-16/1 and P11-Cu retain the microporosity of P11, and the relatively larger MBBs in P11-Cu permit a 20% unit cell expansion and afford a higher surface area and a larger pore size. © 2013 American Chemical Society.

  20. Undecylenic acid: a valuable and physiologically active renewable building block from castor oil.

    Science.gov (United States)

    Van der Steen, Marijke; Stevens, Christian V

    2009-01-01

    A lot of attention is currently being paid to the transition to a biobased economy. In this movement, most efforts concentrate on the development of bioenergy applications including bioethanol, biodiesel, thermochemical conversion of biomass, and others. However, in the energy sector other nonbiomass alternatives are known, whereas no valuable alternatives are available when thinking about chemical building blocks. Therefore, it is also essential to develop new routes for the synthesis of bio-based chemicals and materials derived thereof. Such intermediates can originate either from plants or from animals. Castor oil is a non-edible oil extracted from the seeds of the castor bean plant Ricinus communis (Euphorbiaceae), which grows in tropical and subtropical areas. Globally, around one million tons of castor seeds are produced every year, the leading producing areas being India, PR China, and Brazil.2 10-Undecenoic acid or undecylenic acid is a fatty acid derived from castor oil that, owing to its bifunctional nature, has many possibilities to develop sustainable applications.

  1. Assembly of Robust Bacterial Microcompartment Shells Using Building Blocks from an Organelle of Unknown Function

    Energy Technology Data Exchange (ETDEWEB)

    Lassila, JK; Bernstein, SL; Kinney, JN; Axen, SD; Kerfeld, CA

    2014-05-29

    Bacterial microconnpartnnents (BMCs) sequester enzymes from the cytoplasmic environment by encapsulation inside a selectively permeable protein shell. Bioinformatic analyses indicate that many bacteria encode BMC clusters of unknown function and with diverse combinations of shell proteins. The genome of the halophilic myxobacterium Haliangium ochraceum encodes one of the most atypical sets of shell proteins in terms of composition and primary structure. We found that microconnpartnnent shells could be purified in high yield when all seven H. ochraceum BMC shell genes were expressed from a synthetic operon in Escherichia coll. These shells differ substantially from previously isolated shell systems in that they are considerably smaller and more homogeneous, with measured diameters of 39 2 nm. The size and nearly uniform geometry allowed the development of a structural model for the shells composed of 260 hexagonal units and 13 hexagons per icosahedral face. We found that new proteins could be recruited to the shells by fusion to a predicted targeting peptide sequence, setting the stage for the use of these remarkably homogeneous shells for applications such as three-dimensional scaffolding and the construction of synthetic BMCs. Our results demonstrate the value of selecting from the diversity of BMC shell building blocks found in genomic sequence data for the construction of novel compartments. (C) 2014 Elsevier Ltd. All rights reserved.

  2. Ferroelectric barium titanate nanocubes as capacitive building blocks for energy storage applications.

    Science.gov (United States)

    Parizi, Saman Salemizadeh; Mellinger, Axel; Caruntu, Gabriel

    2014-10-22

    Highly uniform polymer-ceramic nanocomposite films with high energy density values were fabricated by exploiting the unique ability of monodomain, nonaggregated BaTiO3 colloidal nanocrystals to function as capacitive building blocks when dispersed into a weakly interacting dielectric matrix. Monodisperse, surface-functionalized ferroelectric 15 nm BaTiO3 nanoparticles have been selectively incorporated with a high packing density into poly(vinylidene fluoride-co-hexafluoropropene) (P(VDF-HFP)) leading to the formation of biphasic BaTiO3-P(VDF-HFP) nanocomposite films. A systematic investigation of the electrical properties of the nanocomposites by electrostatic force microscopy and conventional dielectric measurements reveals that polymer-ceramic film capacitor structures exhibit a ferroelectric relaxor-type behavior with an increased intrinsic energy density. The composite containing 7% BaTiO3 nanocrystals displays a high permittivity (ε = 21) and a relatively high energy density (E = 4.66 J/cm(3)) at 150 MV/m, which is 166% higher than that of the neat polymer and exceeds the values reported in the literature for polymer-ceramic nanocomposites containing a similar amount of nanoparticle fillers. The easy processing and electrical properties of the polymer-ceramic nanocomposites make them suitable for implementation in pulse power capacitors, high power systems and other energy storage applications.

  3. Building blocks for automated elucidation of metabolites: Machine learning methods for NMR prediction

    Directory of Open Access Journals (Sweden)

    Neumann Steffen

    2008-09-01

    Full Text Available Abstract Background Current efforts in Metabolomics, such as the Human Metabolome Project, collect structures of biological metabolites as well as data for their characterisation, such as spectra for identification of substances and measurements of their concentration. Still, only a fraction of existing metabolites and their spectral fingerprints are known. Computer-Assisted Structure Elucidation (CASE of biological metabolites will be an important tool to leverage this lack of knowledge. Indispensable for CASE are modules to predict spectra for hypothetical structures. This paper evaluates different statistical and machine learning methods to perform predictions of proton NMR spectra based on data from our open database NMRShiftDB. Results A mean absolute error of 0.18 ppm was achieved for the prediction of proton NMR shifts ranging from 0 to 11 ppm. Random forest, J48 decision tree and support vector machines achieved similar overall errors. HOSE codes being a notably simple method achieved a comparatively good result of 0.17 ppm mean absolute error. Conclusion NMR prediction methods applied in the course of this work delivered precise predictions which can serve as a building block for Computer-Assisted Structure Elucidation for biological metabolites.

  4. Search for water and life's building blocks in the universe: A summary

    Science.gov (United States)

    Ehrenfreund, Pascale; Kwok, Sun; Bergin, Edwin

    2015-08-01

    Water and organic compounds are essential ingredients for life on Earth and possibly elsewhere. In gaseous form water acts as a coolant that allows interstellar gas clouds to collapse to form stars, whereas water ice covers small dust particles that agglomerate to form planetesimals and planets. The variety of organic compounds identified in interstellar and circumstellar regions reflects complex reaction schemes in the gaseous and icy/solid state. Interstellar volatiles and refractory materials were processed and radially mixed within the protostellar disk from which our solar system formed. But the dynamic solar nebula was also a source for new materials and the search for water and life’s building blocks on terrestrial planets, most of the outer-solar-system satellites as well as small solar system bodies reveals exciting new findings. The analysis of small bodies and their fragments, meteorites and interplanetary dust particles, sheds lights onto the extraterrestrial delivery process of prebiotic molecules to young planets and the pathways to life’s origin on Earth and possibly elsewhere. We summarize the results of invited and contributed papers of this Focus Meeting which will allow us to better assess the habitability of objects in our solar system and provide constraints for exoplanets.

  5. A new building block for DNA network formation by self-assembly and polymerase chain reaction.

    Science.gov (United States)

    Bußkamp, Holger; Keller, Sascha; Robotta, Marta; Drescher, Malte; Marx, Andreas

    2014-01-01

    The predictability of DNA self-assembly is exploited in many nanotechnological approaches. Inspired by naturally existing self-assembled DNA architectures, branched DNA has been developed that allows self-assembly to predesigned architectures with dimensions on the nanometer scale. DNA is an attractive material for generation of nanostructures due to a plethora of enzymes which modify DNA with high accuracy, providing a toolbox for many different manipulations to construct nanometer scaled objects. We present a straightforward synthesis of a rigid DNA branching building block successfully used for the generation of DNA networks by self-assembly and network formation by enzymatic DNA synthesis. The Y-shaped 3-armed DNA construct, bearing 3 primer strands is accepted by Taq DNA polymerase. The enzyme uses each arm as primer strand and incorporates the branched construct into large assemblies during PCR. The networks were investigated by agarose gel electrophoresis, atomic force microscopy, dynamic light scattering, and electron paramagnetic resonance spectroscopy. The findings indicate that rather rigid DNA networks were formed. This presents a new bottom-up approach for DNA material formation and might find applications like in the generation of functional hydrogels.

  6. Eggshell membrane-templated porous gold membranes using nanoparticles as building blocks

    International Nuclear Information System (INIS)

    Ashraf, S.; Khalid, Z. M.; Hussain, I.

    2013-01-01

    Highly porous gold membrane-like structures are formed using eggshell membrane, as such and heat denatured, as a template and gold nanoparticles as building blocks. Gold nanoparticles were produced in-situ on the eggshell membranes without using additional reducing agents. The morphology and loading of gold nanoparticles can easily be controlled by adjusting the pH and thus the redox potential of eggshell membranes. Lower pH favored the formation of irregularly-shaped but dense gold macro/ nanocrystals whereas higher pH(8-9) favored the formation of fairly uniform but less dense gold nanoparticles onto the eggshell membranes. Heat treatment of eggshell membrane-gold nanoparticle composites formed at pH 8-9 led to the formation of highly porous membrane like gold while mimicking the original structure of eggshell membrane. All these materials have been thoroughly characterized using field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectroscopy (EDX), and inductively coupled plasma - atomic emission spectroscopy (ISP-AES). These highly porous membrane-like gold materials may have potential applications in catalysis, biosensors, electrode materials, optically selective coatings, heat dissipation and biofiltration. (author)

  7. Lunar and Planetary Science XXXV: Terrestrial Planets: Building Blocks and Differentiation

    Science.gov (United States)

    2004-01-01

    The session "Terrestrial Planets: Building Blocks and Differentiation: included the following topics:Magnesium Isotopes in the Earth, Moon, Mars, and Pallasite Parent Body: High-Precision Analysis of Olivine by Laser-Ablation Multi-Collector ICPMS; Meteoritic Constraints on Collision Rates in the Primordial Asteroid Belt and Its Origin; New Constraints on the Origin of the Highly Siderophile Elements in the Earth's Upper Mantle; Further Lu-Hf and Sm-Nd Isotopic Data on Planetary Materials and Consequences for Planetary Differentiation; A Deep Lunar Magma Ocean Based on Neodymium, Strontium and Hafnium Isotope Mass Balance Partial Resetting on Hf-W System by Giant Impacts; On the Problem of Metal-Silicate Equilibration During Planet Formation: Significance for Hf-W Chronometry ; Solid Metal-Liquid Metal Partitioning of Pt, Re, and Os: The Effect of Carbon; Siderophile Element Abundances in Fe-S-Ni-O Melts Segregated from Partially Molten Ordinary Chondrite Under Dynamic Conditions; Activity Coefficients of Silicon in Iron-Nickel Alloys: Experimental Determination and Relevance for Planetary Differentiation; Reinvestigation of the Ni and Co Metal-Silicate Partitioning; Metal/Silicate Paritioning of P, Ga, and W at High Pressures and Temperatures: Dependence on Silicate Melt Composition; and Closure of the Fe-S-Si Liquid Miscibility Gap at High Pressure and Its Implications for Planetary Core Formation.

  8. Nucleic acids and smart materials: advanced building blocks for logic systems.

    Science.gov (United States)

    Pu, Fang; Ren, Jinsong; Qu, Xiaogang

    2014-09-03

    Logic gates can convert input signals into a defined output signal, which is the fundamental basis of computing. Inspired by molecular switching from one state to another under an external stimulus, molecular logic gates are explored extensively and recognized as an alternative to traditional silicon-based computing. Among various building blocks of molecular logic gates, nucleic acid attracts special attention owing to its specific recognition abilities and structural features. Functional materials with unique physical and chemical properties offer significant advantages and are used in many fields. The integration of nucleic acids and functional materials is expected to bring about several new phenomena. In this Progress Report, recent progress in the construction of logic gates by combining the properties of a range of smart materials with nucleic acids is introduced. According to the structural characteristics and composition, functional materials are categorized into three classes: polymers, noble-metal nanomaterials, and inorganic nanomaterials. Furthermore, the unsolved problems and future challenges in the construction of logic gates are discussed. It is hoped that broader interests in introducing new smart materials into the field are inspired and tangible applications for these constructs are found. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Three-dimensional tissues using human pluripotent stem cell spheroids as biofabrication building blocks.

    Science.gov (United States)

    Lin, Haishuang; Li, Qiang; Lei, Yuguo

    2017-04-24

    A recently emerged approach for tissue engineering is to biofabricate tissues using cellular spheroids as building blocks. Human pluripotent stem cells (hPSCs), including human embryonic stem cells (hESCs) and induced pluripotent stem cells (iPSCs), can be cultured to generate large numbers of cells and can presumably be differentiated into all the cell types of the human body in vitro, thus are an ideal cell source for biofabrication. We previously developed a hydrogel-based cell culture system that can economically produce large numbers of hPSC spheroids. With hPSCs and this culture system, there are two potential methods to biofabricate a desired tissue. In Method 1, hPSC spheroids are first utilized to biofabricate an hPSC tissue that is subsequently differentiated into the desired tissue. In Method 2, hPSC spheroids are first converted into tissue spheroids in the hydrogel-based culture system and the tissue spheroids are then utilized to biofabricate the desired tissue. In this paper, we systematically measured the fusion rates of hPSC spheroids without and with differentiation toward cortical and midbrain dopaminergic neurons and found spheroids' fusion rates dropped sharply as differentiation progressed. We found Method 1 was appropriate for biofabricating neural tissues.

  10. Filamentous phages as building blocks for reconfigurable and hierarchical self-assembly

    Science.gov (United States)

    Gibaud, Thomas

    2017-12-01

    Filamentous bacteriophages such as fd-like viruses are monodisperse rod-like colloids that have well defined properties of diameter, length, rigidity, charge and chirality. Engineering these viruses leads to a library of colloidal rods, which can be used as building blocks for reconfigurable and hierarchical self-assembly. Their condensation in an aqueous solution with additive polymers, which act as depletants to induce attraction between the rods, leads to a myriad of fluid-like micronic structures ranging from isotropic/nematic droplets, colloid membranes, achiral membrane seeds, twisted ribbons, π-wall, pores, colloidal skyrmions, Möbius anchors, scallop membranes to membrane rafts. These structures, and the way that they shape-shift, not only shed light on the role of entropy, chiral frustration and topology in soft matter, but also mimic many structures encountered in different fields of science. On the one hand, filamentous phages being an experimental realization of colloidal hard rods, their condensation mediated by depletion interactions constitutes a blueprint for the self-assembly of rod-like particles and provides a fundamental foundation for bio- or material-oriented applications. On the other hand, the chiral properties of the viruses restrict the generalities of some results but vastly broaden the self-assembly possibilities.

  11. Linking dwarf galaxies to halo building blocks with the most metal-poor star in Sculptor.

    Science.gov (United States)

    Frebel, Anna; Kirby, Evan N; Simon, Joshua D

    2010-03-04

    Current cosmological models indicate that the Milky Way's stellar halo was assembled from many smaller systems. On the basis of the apparent absence of the most metal-poor stars in present-day dwarf galaxies, recent studies claimed that the true Galactic building blocks must have been vastly different from the surviving dwarfs. The discovery of an extremely iron-poor star (S1020549) in the Sculptor dwarf galaxy based on a medium-resolution spectrum cast some doubt on this conclusion. Verification of the iron-deficiency, however, and measurements of additional elements, such as the alpha-element Mg, are necessary to demonstrate that the same type of stars produced the metals found in dwarf galaxies and the Galactic halo. Only then can dwarf galaxy stars be conclusively linked to early stellar halo assembly. Here we report high-resolution spectroscopic abundances for 11 elements in S1020549, confirming its iron abundance of less than 1/4,000th that of the Sun, and showing that the overall abundance pattern follows that seen in low-metallicity halo stars, including the alpha-elements. Such chemical similarity indicates that the systems destroyed to form the halo billions of years ago were not fundamentally different from the progenitors of present-day dwarfs, and suggests that the early chemical enrichment of all galaxies may be nearly identical.

  12. A new building block for DNA network formation by self-assembly and polymerase chain reaction

    Directory of Open Access Journals (Sweden)

    Holger Bußkamp

    2014-05-01

    Full Text Available The predictability of DNA self-assembly is exploited in many nanotechnological approaches. Inspired by naturally existing self-assembled DNA architectures, branched DNA has been developed that allows self-assembly to predesigned architectures with dimensions on the nanometer scale. DNA is an attractive material for generation of nanostructures due to a plethora of enzymes which modify DNA with high accuracy, providing a toolbox for many different manipulations to construct nanometer scaled objects. We present a straightforward synthesis of a rigid DNA branching building block successfully used for the generation of DNA networks by self-assembly and network formation by enzymatic DNA synthesis. The Y-shaped 3-armed DNA construct, bearing 3 primer strands is accepted by Taq DNA polymerase. The enzyme uses each arm as primer strand and incorporates the branched construct into large assemblies during PCR. The networks were investigated by agarose gel electrophoresis, atomic force microscopy, dynamic light scattering, and electron paramagnetic resonance spectroscopy. The findings indicate that rather rigid DNA networks were formed. This presents a new bottom-up approach for DNA material formation and might find applications like in the generation of functional hydrogels.

  13. Reversible Redox Activity in Multicomponent Metal-Organic Frameworks Constructed from Trinuclear Copper Pyrazolate Building Blocks.

    Science.gov (United States)

    Tu, Binbin; Pang, Qingqing; Xu, Huoshu; Li, Xiaomin; Wang, Yulin; Ma, Zhen; Weng, Linhong; Li, Qiaowei

    2017-06-14

    Inorganic functionalization of metal-organic frameworks (MOFs), such as incorporation of multiple inorganic building blocks with distinct metals into one structure and further modulation of the metal charges, endows the porous materials with significant properties toward their applications in catalysis. In this work, by an exploration of the role of 4-pyrazolecarboxylic acid (H 2 PyC) in the formation of trinuclear copper pyrazolate as a metalloligand in situ, four new MOFs with multiple components in order were constructed through one-pot synthesis. This metalloligand strategy provides multicomponent MOFs with new topologies (tub for FDM-4 and tap for FDM-5) and is also compatible with a second organic linker for cooperative construction of complex MOFs (1,4-benzenedicarboxylic acid for FDM-6 and 2,6-naphthalenedicarboxylic acid for FDM-7). The component multiplicity of these MOFs originates from PyC's ability to separate Cu and Zn on the basis of their differentiated binding affinities toward pyrazolate and carboxylate. These MOFs feature reversible and facile redox transformations between Cu I 3 (PyC) 3 and Cu II 3 (μ-OH)(PyC) 3 (OH) 3 without altering the connecting geometries of the units, thus further contributing to the significant catalytic activities in the oxidation of CO and aromatic alcohols and the decomposition of H 2 O 2 . This study on programming multiple inorganic components into one framework and modulating their electronic structures is an example of functionalizing the inorganic units of MOFs with a high degree of control.

  14. Multifunctional Aromatic Carboxylic Acids as Versatile Building Blocks for Hydrothermal Design of Coordination Polymers

    Directory of Open Access Journals (Sweden)

    Jinzhong Gu

    2018-02-01

    Full Text Available Selected recent examples of coordination polymers (CPs or metal-organic frameworks (MOFs constructed from different multifunctional carboxylic acids with phenyl-pyridine or biphenyl cores have been discussed. Despite being still little explored in crystal engineering research, such types of semi-rigid, thermally stable, multifunctional and versatile carboxylic acid building blocks have become very promising toward the hydrothermal synthesis of metal-organic architectures possessing distinct structural features, topologies, and functional properties. Thus, the main aim of this mini-review has been to motivate further research toward the synthesis and application of coordination polymers assembled from polycarboxylic acids with phenyl-pyridine or biphenyl cores. The importance of different reaction parameters and hydrothermal conditions on the generation and structural types of CPs or MOFs has also been highlighted. The influence of the type of main di- or tricarboxylate ligand, nature of metal node, stoichiometry and molar ratio of reagents, temperature, and presence of auxiliary ligands or templates has been showcased. Selected examples of highly porous or luminescent CPs, compounds with unusual magnetic properties, and frameworks for selective sensing applications have been described.

  15. The construction of a scientific model: Otto Warburg and the building block strategy.

    Science.gov (United States)

    Nickelsen, Kärin

    2009-06-01

    In the years 1919 to 1923, Otto Warburg published four papers that were to revolutionise the field of photosynthesis. In these articles, he introduced a number of new techniques to measure the rate of photosynthesis, put forward a new model of the mechanism and added a completely new perspective to the topic by attempting to establish the process's efficiency in terms of the light quantum requirement. In this paper I trace the roots of Warburg's series of contributions to photosynthesis research by exploring three different contexts of inspiration: Warburg's own research into cell respiration, his father's work on the quantum yield of photochemical reactions in general and the photosynthesis work carried out by Richard Willstätter and Arthur Stoll. When these influences are considered together, it becomes clear that Warburg implemented a Building Block Strategy in his research: rather than inventing his photosynthesis model from scratch, he availed himself of fragments from other contexts, which he then recombined in a new and innovative way. This way of working is considered to be standard practice in scientific research.

  16. Semiexperimental equilibrium structures for building blocks of organic and biological molecules: the B2PLYP route.

    Science.gov (United States)

    Penocchio, Emanuele; Piccardo, Matteo; Barone, Vincenzo

    2015-10-13

    The B2PLYP double hybrid functional, coupled with the correlation-consistent triple-ζ cc-pVTZ (VTZ) basis set, has been validated in the framework of the semiexperimental (SE) approach for deriving accurate equilibrium structures of molecules containing up to 15 atoms. A systematic comparison between new B2PLYP/VTZ results and several equilibrium SE structures previously determined at other levels, in particular B3LYP/SNSD and CCSD(T) with various basis sets, has put in evidence the accuracy and the remarkable stability of such model chemistry for both equilibrium structures and vibrational corrections. New SE equilibrium structures for phenylacetylene, pyruvic acid, peroxyformic acid, and phenyl radical are discussed and compared with literature data. Particular attention has been devoted to the discussion of systems for which lack of sufficient experimental data prevents a complete SE determination. In order to obtain an accurate equilibrium SE structure for these situations, the so-called templating molecule approach is discussed and generalized with respect to our previous work. Important applications are those involving biological building blocks, like uracil and thiouracil. In addition, for more general situations the linear regression approach has been proposed and validated.

  17. BUILDING BLOCKS IN THE FOREIGN LANGUAGE CLASSROOM (PILARES BÁSICOS EN EL AULA DE IDIOMAS

    Directory of Open Access Journals (Sweden)

    Coto Keith Rossina

    2010-12-01

    presents each separately, giving the idea that only one or two can be used in the language classroom, thus missing some important matters. The point of this article is that in order to be more effective, Learning Styles, Multiple Intelligences and Language Learning Strategies must intertwine, so as to create a solid building block. The author first gives an overview of each of these areas. She then explains in the review of the literature how they should be used as a closely-knit unit. Next, she provides an example of this integration through a lesson plan on the topic of environmental conservation for an Oral Communication course for English majors at School of Modern Languages, University of Costa Rica. Finally, some advice is given to instructors on the incorporation of each of these building blocks.

  18. A 2D Substitutional Solid Solution through Hydrogen Bonding of Molecular Building Blocks.

    Science.gov (United States)

    MacLeod, Jennifer M; Lipton-Duffin, Josh; Fu, Chaoying; Taerum, Tyler; Perepichka, Dmitrii F; Rosei, Federico

    2017-09-26

    Two-dimensional (2D) molecular self-assembly allows for the formation of well-defined supramolecular layers with tailored geometrical, compositional, and chemical properties. To date, random intermixing and entropic effects in these systems have largely been associated with crystalline disorder and glassy phases. Here we describe a 2D crystalline self-assembled molecular system that exhibits random incorporation of substitutional molecules. The lattice is formed from a mixture of trimesic acid (TMA) and terthienobenzenetricarboxylic acid (TTBTA), C 3 -symmetric hydrogen-bonding units of very different sizes (0.79 and 1.16 nm, respectively), at the solution-highly oriented pyrolitic graphite (HOPG) interface. Remarkably, the TTBTA substitutes into the TMA lattice at a fixed stoichiometry near 12%. The resulting lattice constant is consistent with Vegard's law prediction for an alloy with a composition TMA 0.88 TTBTA 0.12 , and the substrate orientation of the lattice is defined by an epitaxial relation with the HOPG substrate. The Gibbs free energy for the TMA/TTBTA lattice was elucidated by considering the entropy of intermixing, via Monte Carlo simulations of multiplicity of the substitutional lattices, and the enthalpy of intermixing, via density functional theory calculations. The latter show that both the bond enthalpy of the H-bonded lattice and the adsorption enthalpy of the molecule/substrate interactions play important roles. This work provides insight into the manifestation of entropy in a molecular crystal constrained by both epitaxy and intermolecular interactions and demonstrates that a randomly intermixed yet crystalline 2D solid can be formed through hydrogen bonding of molecular building blocks of very different size.

  19. Ultrasound-assisted acid hydrolysis of cellulose to chemical building blocks: Application to furfural synthesis.

    Science.gov (United States)

    Santos, Daniel; Silva, Ubiratan F; Duarte, Fabio A; Bizzi, Cezar A; Flores, Erico M M; Mello, Paola A

    2018-01-01

    In this work, the use of ultrasound energy for the production of furanic platforms from cellulose was investigated and the synthesis of furfural was demonstrated. Several systems were evaluated, as ultrasound bath, cup horn and probe, in order to investigate microcrystalline cellulose conversion using simply a diluted acid solution and ultrasound. Several acid mixtures were evaluated for hydrolysis, as diluted solutions of HNO 3 , H 2 SO 4 , HCl and H 2 C 2 O 4 . The influence of the following parameters in the ultrasound-assisted acid hydrolysis (UAAH) were studied: sonication temperature (30 to 70°C) and ultrasound amplitude (30 to 70% for a cup horn system) for 4 to 8molL -1 HNO 3 solutions. For each evaluated condition, the products were identified by ultra-performance liquid chromatography with high-resolution time-of-flight mass spectrometry (UPLC-ToF-MS), which provide accurate information regarding the products obtained from biomass conversion. The furfural structure was confirmed by nuclear magnetic resonance ( 1 H and 13 C NMR) spectroscopy. In addition, cellulosic residues from hydrolysis reaction were characterized using scanning electron microscopy (SEM), which contributed for a better understanding of physical-chemical effects caused by ultrasound. After process optimization, a 4molL -1 HNO 3 solution, sonicated for 60min at 30°C in a cup horn system at 50% of amplitude, lead to 78% of conversion to furfural. This mild temperature condition combined to the use of a diluted acid solution represents an important contribution for the selective production of chemical building blocks using ultrasound energy. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Triazole: a unique building block for the construction of functional materials.

    Science.gov (United States)

    Juríček, Michal; Kouwer, Paul H J; Rowan, Alan E

    2011-08-21

    Over the past 50 years, numerous roads towards carbon-based materials have been explored, all of them being paved using mainly one functional group as the brick: acetylene. The acetylene group, or the carbon-carbon triple bond, is one of the oldest and simplest functional groups in chemistry, and although not present in any of the naturally occurring carbon allotropes, it is an essential tool to access their synthetic carbon-rich family. In general, two strategies towards the synthesis of π-conjugated carbon-rich structures can be employed: (a) either the acetylene group serves as a building block to access acetylene-derived structures or (b) it serves as a synthetic tool to provide other, usually benzenoid, structures. The recently discovered copper-catalysed azide-alkyne cycloaddition (CuAAC) reaction, however, represents a new powerful alternative: it transforms the acetylene group into a five-membered heteroaromatic 1H-1,2,3-triazole (triazole) ring and this gives rise to new opportunities. Compared with all-carbon aromatic non-functional rings, the triazole ring possesses three nitrogen atoms and, thus, can serve as a ligand to coordinate metals, or as a hydrogen bond acceptor and donor. This Feature Article summarises examples of using the triazole ring to construct conjugation- and/or function-related heteroaromatic materials, such as tuneable multichromophoric covalent ensembles, macrocyclic receptors or responsive foldamers. These recent examples, which open a new sub-field within organic materials, started to appear only few years ago and represent "a few more bricks" on the road to carbon-rich functional materials. This journal is © The Royal Society of Chemistry 2011

  1. Novel fundamental building blocks and site dependent isomorphism in the first actinide borophosphates.

    Science.gov (United States)

    Wu, Shijun; Polinski, Matthew J; Malcherek, Thomas; Bismayer, Ulrich; Klinkenberg, Martina; Modolo, Giuseppe; Bosbach, Dirk; Depmeier, Wulf; Albrecht-Schmitt, Thomas E; Alekseev, Evgeny V

    2013-07-15

    Three novel uranyl borophosphates, Ag2(NH4)3[(UO2)2{B3O(PO4)4(PO4H)2}]H2O (AgNBPU-1), Ag(2-x)(NH4)3[(UO2)2{B2P5O(20-x)(OH)x}] (x = 1.26) (AgNBPU-2), and Ag(2-x)(NH4)3[(UO2)2{B2P(5-y)AsyO(20-x)(OH)x}] (x = 1.43, y = 2.24) (AgNBPU-3), have been prepared by the H3BO3-NH4H2PO4/NH4H2AsO4 flux method. The structure of AgNBPU-1 has an unprecedented fundamental building block (FBB), composed of three BO4 and six PO4 tetrahedra which can be written as 9□:[Φ] □□|□□|□□|. Two Ag atoms are linearly coordinated; the coordination of a third one is T-shaped. AgNBPU-2 and AgNBPU-3 are isostructural and possess a FBB of two BO4 and five TO4 (T = P, As) tetrahedra (7□:□□|□). AgNBPU-3 is a solid solution with some PO4 tetrahedra of the AgNBPU-2 end-member being substituted by AsO4. Only two out of the three independent P positions are partially occupied by As, resulting in site dependent isomorphism. The three compounds represent the first actinide borophosphates.

  2. A Facile Synthesis of α-N-Ribosyl-Asparagine and α-N-Ribosyl-Glutamine Building Blocks

    Directory of Open Access Journals (Sweden)

    Gaetano Speciale

    2013-07-01

    Full Text Available Adenosine diphosphate ribosylation (ADP-ribosylation is a widely occurring post-translational modification of proteins at nucleophilic side chain of amino acid residues. Elucidation of ADP-ribosylation events would benefit greatly from the availability of well-defined ADP-ribosylated peptides and analogues thereof. In this paper we present a novel approach to the chemical synthesis of ribosylated amino acid building blocks using traceless Staudinger ligation. We describe an efficient and stereoselective synthesis of α-N-ribosyl-asparagine (α-N-ribosyl-Asn and α-N-ribosyl-glutamine (α-N-ribosyl-Gln building blocks starting from 5-tert-butyldiphenylsilyl-β-d-ribofuranosyl azide. The N-glycosyl aminoacids are produced in good yields as pure α-anomers, suitably protected for peptide synthesis.

  3. Use of Mixed Micelles for Presentation of Building Blocks in a New Combinatorial Discovery Methodology: Proof-of-Concept Studies

    Directory of Open Access Journals (Sweden)

    Istvan Toth

    2013-03-01

    Full Text Available We describe a new method of combinatorial screening in which building blocks, instead of being linked together chemically, are placed on the surface of nanoparticles. Two- or three-dimensional structures form on the surface of these particles through the close approach of different building blocks, with sufficient flexibility to be able to adapt and interact with putative binding sites in biological systems. The particles assemble without the need for formation of chemical bonds, so libraries comprised of many structures can be prepared rapidly, with large quantities of material available for testing. Screening methods can include solid and solution-phase binding assays, or tissue culture models, for example looking for structures which can change the behaviour of cells in a disease-modifying manner.

  4. Advances in metabolic pathway and strain engineering paving the way for sustainable production of chemical building blocks.

    Science.gov (United States)

    Chen, Yun; Nielsen, Jens

    2013-12-01

    Bio-based production of chemical building blocks from renewable resources is an attractive alternative to petroleum-based platform chemicals. Metabolic pathway and strain engineering is the key element in constructing robust microbial chemical factories within the constraints of cost effective production. Here we discuss how the development of computational algorithms, novel modules and methods, omics-based techniques combined with modeling refinement are enabling reduction in development time and thus advance the field of industrial biotechnology. We further discuss how recent technological developments contribute to the development of novel cell factories for the production of the building block chemicals: adipic acid, succinic acid and 3-hydroxypropionic acid. Copyright © 2013 Elsevier Ltd. All rights reserved.

  5. Design and construction of self-assembling supramolecular protein complexes using artificial and fusion proteins as nanoscale building blocks.

    Science.gov (United States)

    Kobayashi, Naoya; Arai, Ryoichi

    2017-08-01

    The central goal of nanobiotechnology is to design and construct novel biomaterials of nanometer sizes. In this short review, we describe recent progress of several approaches for designing and creating artificial self-assembling protein complexes and primarily focus on the following biotechnological strategies for using artificial and fusion proteins as nanoscale building blocks: fusion proteins designed for symmetrical self-assembly; three-dimensional domain-swapped oligomers; self-assembling designed coiled-coil peptide modules; metal-directed self-assembling engineered proteins; computationally designed self-assembling de novo proteins; and self-assembling protein nanobuilding blocks (PN-Blocks) using an intermolecularly folded dimeric de novo protein. These state-of-the-art nanobiotechnologies for designing supramolecular protein complexes will facilitate the development of novel functional nanobiomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. The Building Blocks for JWST I and T (Integrations and Test) to Operations - From Simulator to Flight Units

    Science.gov (United States)

    Fatig, Curtis; Ochs, William; Johns, Alan; Seaton, Bonita; Adams, Cynthia; Wasiak, Francis; Jones, Ronald; Jackson, Wallace

    2012-01-01

    The James Webb Space Telescope (JWST) Project has an extended integration and test (I&T) phase due to long procurement and development times of various components as well as recent launch delays. The JWST Ground Segment and Operations group has developed a roadmap of the various ground and flight elements and their use in the various JWST I&T test programs. The JWST Project s building block approach to the eventual operational systems, while not new, is complex and challenging; a large-scale mission like JWST involves international partners, many vendors across the United States, and competing needs for the same systems. One of the challenges is resource balancing so simulators and flight products for various elements congeal into integrated systems used for I&T and flight operations activities. This building block approach to an incremental buildup provides for early problem identification with simulators and exercises the flight operations systems, products, and interfaces during the JWST I&T test programs. The JWST Project has completed some early I&T with the simulators, engineering models and some components of the operational ground system. The JWST Project is testing the various flight units as they are delivered and will continue to do so for the entire flight and operational system. The JWST Project has already and will continue to reap the value of the building block approach on the road to launch and flight operations.

  7. Carboranedithiols: building blocks for self-assembled monolayers on copper surfaces.

    Science.gov (United States)

    Baše, Tomáš; Bastl, Zdeněk; Havránek, Vladimír; Macháček, Jan; Langecker, Jens; Malina, Václav

    2012-08-28

    Two different positional isomers of 1,2-dicarba-closo-dodecaboranedithiols, 1,2-(HS)(2)-1,2-C(2)B(10)H(10) (1) and 9,12-(HS)(2)-1,2-C(2)B(10)H(10) (2), have been investigated as cluster building blocks for self-assembled monolayers (SAMs) on copper surfaces. These two isomers represent a convenient system in which the attachment of SH groups at different positions on the skeleton affects their acidic character and thus also determines their reactivity with a copper surface. Isomer 1 exhibited etching of polycrystalline Cu films, and a detailed investigation of the experimental conditions showed that both the acidic character of SH groups and the presence of oxygen at the copper surface play crucial roles in how the surface reaction proceeds: whether toward a self-assembled monolayer or toward copper film etching. We found that each positional isomer requires completely different conditions for the preparation of a SAM on copper surfaces. Optimized conditions for the former isomer required the exposure of a freshly prepared Cu surface to vapor of 1 in vacuum, which avoided the presence of oxygen and moisture. Adsorption from a dichloromethane solution afforded a sparsely covered Cu(0) surface; isomer 1 effectively removes the surface copper(I) oxide, forming a soluble product, but apparently binds only weakly to the clean Cu(0) surface. In contrast, adsorption of the latter, less volatile isomer proceeded better from a dichloromethane solution than from the vapor phase. Isomer 2 was even able to densely cover the copper surface cleaned up by the dichloromethane solution of 1. Both isomers exhibited high capacity to remove oxygen atoms from the surface copper(I) oxide that forms immediately after the exposure of freshly prepared copper films to ambient atmosphere. Isomer 2 showed suppression of Cu film oxidation. A number of methods including X-ray photoelectron spectroscopy (XPS), X-ray Rutherford back scattering (RBS), proton-induced X-ray emission (PIXE) analysis

  8. [Fe(III)(dmbpy)(CN)4]-: a new building block for designing single-chain magnets.

    Science.gov (United States)

    Toma, Luminita Marilena; Pasán, Jorge; Ruiz-Pérez, Catalina; Lloret, Francesc; Julve, Miguel

    2012-11-28

    We herein present the synthesis and magneto-structural study of a new family of heterobimetallic chains of general formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n)·pnH(2)O [dmbpy = 4,4'-dimethyl-2,2'-bipyridine; M = Mn (2), Cu (3), Ni (4) and Co (5) with p = 4 (2), 3 (3), 9 (4) and 3.5 (5)] which were prepared by using the mononuclear PPh(4)[Fe(III)(dmbpy)(CN)(4)]·3H(2)O (1) building block (PPh(4)(+) = tetraphenylphosphonium) as a ligand toward fully solvated M(II) ions. The structure of 1 consists of discrete [Fe(III)(dmbpy)(CN)(4)](-) anions, tetraphenylphosphonium cations and noncoordinated water molecules. Complexes 2-5 are isostructural compounds whose structure consists of neutral 4,2-wave like heterobimetallic chains of formula {[Fe(III)(dmbpy)(CN)(4)](2)M(II)(H(2)O)(2)}(n) where the [Fe(III)(dmbpy)(CN)(4)](-) entity adopts a bis-monodentate coordination mode toward trans-[M(II)(H(2)O)(2)] units through two of its four cyanide groups in cis positions. 1 exhibits the magnetic behaviour of magnetically isolated six-coordinate low-spin Fe(III) complexes with an important orbital contribution. 2 behaves as ferrimagnetic Fe(III)(2)Mn(II) chains, whereas 3-5 exhibit intrachain ferromagnetic couplings between the low-spin Fe(III) and either Cu(II) (3), Ni (4) or Co(II) (5) as well as frequency-dependence of the out-of-phase ac susceptibility signals below 3.0 (3), 5.5 (4) and 5.0 K (5). The relaxation time and the energy to reverse the magnetization of 3-5 are related to the anisotropy of the M(II) center and to the intra- and interchain magnetic interactions. Unprecedentedly in the world of cyanide-bearing complexes, 5 exhibits a double slow relaxation of the magnetization.

  9. RELATIVE DISTANCE: THE KEY TO THE SHAPE OF HEPATIC BUILDING BLOCKS

    Directory of Open Access Journals (Sweden)

    Jan M Ruijter

    2011-05-01

    Full Text Available The delineation and the shape of the smallest structural units of the liver is still the subject of debate. However,the blood flow from an upstream terminal branch of the portal vein to a downstream central vein is thought to induce a functional zonation in hepatocyte gene expression. This property was used to determine boundary conditions for the shape of the hepatic building blocks. Histochemical techniques that specifically label periportally or pericentrally expressed enzymes can be used to distinguish periportal and pericentral areas in a liver section. Pairs of images from aligned serial sections, one stained for a portal and the next for a central enzyme, are used. Segmentation and skeletonisation of these images results in the skeletons of the portal and central areas. Distance transformation with respect to these skeletons gives for each point in the image pair the distance to the nearest terminal branches of the portal vein and the central vein. For each point the relative position on the porto-central radius can then be calculated as its distance to a portal vein divided by the sum of its portal and its central distance. In the resulting relative radius image, the area occupied by 'zones' of equivalent relative radius can be measured. According to the principle of Delesse the relative area of a zone in the image is equal to the relative volume of that zone in the tissue. For structural units of plate-like, cylindrical or spherical shape, the relative volume of a zone is equal to the relative radius of that zone to the power 1, 2 or 3, respectively. Thus, the exponent in the relative area - relative radius relation gives information on the shape of the structural unit. Measurement of the areas of each relative radius zone and determination of the area - radius relation in images of random sections of adult mouse liver results in an exponent of 1.1. This suggests that the smallest structural unit of the mouse liver has the shape of a

  10. Isotopic evolution of the protoplanetary disk and the building blocks of Earth and the Moon

    Science.gov (United States)

    Schiller, Martin; Bizzarro, Martin; Fernandes, Vera Assis

    2018-03-01

    Nucleosynthetic isotope variability among Solar System objects is often used to probe the genetic relationship between meteorite groups and the rocky planets (Mercury, Venus, Earth and Mars), which, in turn, may provide insights into the building blocks of the Earth–Moon system. Using this approach, it has been inferred that no primitive meteorite matches the terrestrial composition and the protoplanetary disk material from which Earth and the Moon accreted is therefore largely unconstrained. This conclusion, however, is based on the assumption that the observed nucleosynthetic variability of inner-Solar-System objects predominantly reflects spatial heterogeneity. Here we use the isotopic composition of the refractory element calcium to show that the nucleosynthetic variability in the inner Solar System primarily reflects a rapid change in the mass-independent calcium isotope composition of protoplanetary disk solids associated with early mass accretion to the proto-Sun. We measure the mass-independent 48Ca/44Ca ratios of samples originating from the parent bodies of ureilite and angrite meteorites, as well as from Vesta, Mars and Earth, and find that they are positively correlated with the masses of their parent asteroids and planets, which are a proxy of their accretion timescales. This correlation implies a secular evolution of the bulk calcium isotope composition of the protoplanetary disk in the terrestrial planet-forming region. Individual chondrules from ordinary chondrites formed within one million years of the collapse of the proto-Sun reveal the full range of inner-Solar-System mass-independent 48Ca/44Ca ratios, indicating a rapid change in the composition of the material of the protoplanetary disk. We infer that this secular evolution reflects admixing of pristine outer-Solar-System material into the thermally processed inner protoplanetary disk associated with the accretion of mass to the proto-Sun. The identical calcium isotope composition of Earth

  11. Application of Hidden Markov Models in Biomolecular Simulations.

    Science.gov (United States)

    Shukla, Saurabh; Shamsi, Zahra; Moffett, Alexander S; Selvam, Balaji; Shukla, Diwakar

    2017-01-01

    Hidden Markov models (HMMs) provide a framework to analyze large trajectories of biomolecular simulation datasets. HMMs decompose the conformational space of a biological molecule into finite number of states that interconvert among each other with certain rates. HMMs simplify long timescale trajectories for human comprehension, and allow comparison of simulations with experimental data. In this chapter, we provide an overview of building HMMs for analyzing bimolecular simulation datasets. We demonstrate the procedure for building a Hidden Markov model for Met-enkephalin peptide simulation dataset and compare the timescales of the process.

  12. Studies and mechanical properties of a new type of 'hybrid' ceramic block for buildings in structural masonry

    International Nuclear Information System (INIS)

    Camara, Cassio Freire; Gomes, Uilame Umbelino

    2012-01-01

    This paper presents the development of a hybrid ceramic block to the use of resides in the buildings executed with structural masonry. This work seeking new materials and / or products with the purpose of increasing the compressive strength of the ceramic blocks, without neglecting other properties (water absorption and linear shrinkage). After the obtained material (clay powder and crushed), the packaging (in percentages ranging from 0%, 5%, 10% and 15% substitution of crushed clay powder), the identification and measuring (weights and lengths) of the bodies of the test piece, was performed on the approach characterized by fluorescence, mineralogy and SEM of these materials as well as the characterization (SEM) of ceramic blocks after the sintering (temperature of the 900 deg C, 1000 deg C, and 1100 deg C rate with heating tax of 5 o C/minute and soak for 1 hour). Then the samples were subjected to the tests (compressive strength and water absorption) and the respective calculated linear shrinkage. After conducting the analysis of the results of these tests (according to the criteria and parameters required by the ABNT NBR 15270) was found that the 'hybrid' block with the addition of 10% crushed powder obtained the best results, increasing the compressive strength at 16 % without compromising the other parameters required by the Standard. (author)

  13. Building a comprehensive team for the longitudinal care of single ventricle heart defects: Building blocks and initial results.

    Science.gov (United States)

    Texter, Karen; Davis, Jo Ann M; Phelps, Christina; Cheatham, Sharon; Cheatham, John; Galantowicz, Mark; Feltes, Timothy F

    2017-07-01

    With increasing survival of children with HLHS and other single ventricle lesions, the complexity of medical care for these patients is substantial. Establishing and adhering to best practice models may improve outcome, but requires careful coordination and monitoring. In 2013 our Heart Center began a process to build a comprehensive Single Ventricle Team designed to target these difficult issues. Comprehensive Single Ventricle Team in 2014 was begun, to standardize care for children with single ventricle heart defects from diagnosis to adulthood within our institution. The team is a multidisciplinary group of providers committed to improving outcomes and quality of life for children with single ventricle heart defects, all functioning within the medical home of our heart center. Standards of care were developed and implemented in five target areas to standardize medical management and patient and family support. Under the team 100 patients have been cared for. Since 2014 a decrease in interstage mortality for HLHS were seen. Using a team approach and the tools of Quality Improvement they have been successful in reaching high protocol compliance for each of these areas. This article describes the process of building a successful Single Ventricle team, our initial results, and lessons learned. Additional study is ongoing to demonstrate the effects of these interventions on patient outcomes. © 2017 Wiley Periodicals, Inc.

  14. Total synthesis of a CD-ring: side-chain building block for preparing 17-epi-calcitriol derivatives from the Hajos-Parrish dione.

    Science.gov (United States)

    Michalak, Karol; Wicha, Jerzy

    2011-08-19

    An efficient synthesis of the key building block for 17-epi-calctriol from the Hajos-Parrish dione involving a sequence of diastereoselective transformation of the azulene core and the side-chain construction is presented.

  15. Power Block Geometry Applied to the Building of Power Electronics Converters

    Science.gov (United States)

    dos Santos, E. C., Jr.; da Silva, E. R. C.

    2013-01-01

    This paper proposes a new methodology, Power Block Geometry (PBG), for the presentation of power electronics topologies that process ac voltage. PBG's strategy uses formal methods based on a geometrical representation with particular rules and defines a universe with axioms and conjectures to establish a formation law. It allows power…

  16. First principles calculations of nucleon and pion form factors: understanding the building blocks of nuclear matter from lattice QCD

    International Nuclear Information System (INIS)

    Constantia Alexandrou; Bojan Bistrovic; Robert Edwards; P de Forcrand; George Fleming; Philipp Haegler; John Negele; Konstantinos Orginos; Andrew Pochinsky; Dru Renner; David Richards; Wolfram Schroers; Antonios Tsapalis

    2005-01-01

    Lattice QCD is an essential complement to the current and anticipated DOE-supported experimental program in hadronic physics. In this poster we address several key questions central to our understanding of the building blocks of nuclear matter, nucleons and pions. Firstly, we describe progress at computing the electromagnetic form factors of the nucleon, describing the distribution of charge and current, before considering the role played by the strange quarks. We then describe the study of transition form factors to the Delta resonance. Finally, we present recent work to determine the pion form factor, complementary to the current JLab experimental determination and providing insight into the approach to asymptotic freedom

  17. Building of the rating assessments of the Russian Federation subjects by the blocks of socio-economic indicators

    Directory of Open Access Journals (Sweden)

    Ekaterina Vladimirovna Molchanova

    2014-07-01

    Full Text Available The article implements the econometric approach to the building of rating assessments of the constituent entities of the Russian Federation. The author defines three blocks of indicators for the construction of integral indices: “quality of the population”, “welfare of the population” and “quality of the social sphere”. They serve as the basis for determining the value of a single combined integral indicator. The author also gives recommendations on the improvement of the medical and demographic situation and enhancement of the “quality of the population” at the regional level

  18. First principles calculations of nucleon and pion form factors: understanding the building blocks of nuclear matter from lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Constantia Alexandrou; Bojan Bistrovic; Robert Edwards; P de Forcrand; George Fleming; Philipp Haegler; John Negele; Konstantinos Orginos; Andrew Pochinsky; Dru Renner; David Richards; Wolfram Schroers; Antonios Tsapalis

    2005-10-01

    Lattice QCD is an essential complement to the current and anticipated DOE-supported experimental program in hadronic physics. In this poster we address several key questions central to our understanding of the building blocks of nuclear matter, nucleons and pions. Firstly, we describe progress at computing the electromagnetic form factors of the nucleon, describing the distribution of charge and current, before considering the role played by the strange quarks. We then describe the study of transition form factors to the Delta resonance. Finally, we present recent work to determine the pion form factor, complementary to the current JLab experimental determination and providing insight into the approach to asymptotic freedom.

  19. Energy transfer in (bio)molecular systems

    NARCIS (Netherlands)

    Milder, Maaike Theresia Wilhelmina

    This thesis reports, using a variety of optical techniques, the energy transfer pathways in different potential building blocks for molecular electronic devices, namely an antenna, a molecular wire and fluorescent switches. Using pump-probe spectroscopy the time constants of these transfer processes

  20. Self-Assembled Nanogels of Cholesterol-Bearing Hydroxypropyl Cellulose: A Thermoresponsive Building Block for Nanogel Tectonic Materials.

    Science.gov (United States)

    Tahara, Yoshiro; Sakiyama, Mizuki; Takeda, Shigeo; Nishimura, Tomoki; Mukai, Sada-Atsu; Sawada, Shin-Ichi; Sasaki, Yoshihiro; Akiyoshi, Kazunari

    2016-11-29

    Hydroxypropyl cellulose (HPC) is a fascinating polysaccharide to use in developing a nanogel to be a thermoresponsive building unit for nanogel tectonic materials. Cholesterol-bearing HPC (Ch-HPC) self-assembled to form nanogels through hydrophobic interactions of the cholesteryl groups in water. Ch-HPC nanogels had a lower critical solution temperature in line with that of native HPC. The particle size of Ch-HPC nanogels was reversibly controlled by the temperature and salting-out effect. The thermoresponsive property was also observed in Ch-HPC nanogel-cross-linked macrogels. These results suggest that a Ch-HPC nanogel is an attractive building block for thermoresponsive nanogel tectonic materials.

  1. MSMBuilder: Statistical Models for Biomolecular Dynamics.

    Science.gov (United States)

    Harrigan, Matthew P; Sultan, Mohammad M; Hernández, Carlos X; Husic, Brooke E; Eastman, Peter; Schwantes, Christian R; Beauchamp, Kyle A; McGibbon, Robert T; Pande, Vijay S

    2017-01-10

    MSMBuilder is a software package for building statistical models of high-dimensional time-series data. It is designed with a particular focus on the analysis of atomistic simulations of biomolecular dynamics such as protein folding and conformational change. MSMBuilder is named for its ability to construct Markov state models (MSMs), a class of models that has gained favor among computational biophysicists. In addition to both well-established and newer MSM methods, the package includes complementary algorithms for understanding time-series data such as hidden Markov models and time-structure based independent component analysis. MSMBuilder boasts an easy to use command-line interface, as well as clear and consistent abstractions through its Python application programming interface. MSMBuilder was developed with careful consideration for compatibility with the broader machine learning community by following the design of scikit-learn. The package is used primarily by practitioners of molecular dynamics, but is just as applicable to other computational or experimental time-series measurements. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  2. The building blocks of drinking experience across men and women: A case study with craft and industrial beers.

    Science.gov (United States)

    Gómez-Corona, Carlos; Escalona-Buendía, Héctor B; Chollet, Sylvie; Valentin, Dominique

    2017-09-01

    In today's market, every product seems to be marked by the label of "experience". It is expected that successful products give the consumer "extraordinary experiences". The research in consumption experience is growing, but much work still needs to be done to understand the food and beverage experience. A qualitative study was conducted using contextual focus groups to explore the building blocks of consumers' drinking experience of industrial and craft beers. The results show that drinking experience is shaped by our cognitive, sensory or affective systems, especially during the core consumption experience. Elements such as attitudes, consumption habits, and individual versus social consumption, shopping experience and product benefits are also responsible for shaping the experience, but are more relevant during the pre-consumption or post-consumption experience. Gender differences occur more frequently in the affective experience, as women search more for relaxation while men for excitement and stimulation while drinking beer. When comparing industrial users versus craft, in the latter the cognitive and shopping experiences are more relevant. Overall, the results showed that the drinking experience of beers can be studied as a function of the salient human system used during product interaction, and this systems act as the building blocks of the drinking experience of beer. This information can be applied in consumer research studies to further study the experiential differences across products and consumers. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. A new fixation strategy for addressable nano-network building blocks

    KAUST Repository

    Lundberg, Erik P.

    2010-01-01

    Rapid controlled self-assembly makes DNA ideal for building nanostructures. A problem using hybridized intermediates in hierarchic assembly is their thermodynamic lability. We demonstrate a click-fixation technology by which robust hexagonal DNA modules can be made. This principle is applicable to a wide variety of DNA nanoconstructs. © 2010 The Royal Society of Chemistry.

  4. Cost, Schedule and Risk Management, The Building Blocks of a U.S. Nuclear Project

    International Nuclear Information System (INIS)

    Redding, John

    2002-01-01

    The most important consideration in the decision to build a new nuclear plant is the capital cost. Right? Yes and no. Yes, the capital cost accounts for 80% of the generation cost of a new plant. No, because there are other equally important considerations. (author)

  5. The Building Blocks of User-Focused 3D City Models

    Directory of Open Access Journals (Sweden)

    Isabel Sargent

    2015-12-01

    Full Text Available At Ordnance Survey, GB, we have taken an incremental approach to creating our 3D geospatial database. Research at Ordnance Survey has focused not only on methods for deriving 3D data, but also on the needs of the user in terms of the actual tasks they perform. This provides insights into the type and quality of the data required and how its quality is conveyed. In 2007, using task analysis and user-centred design, we derived a set of geometric characteristics of building exteriors that are relevant to one or more use contexts. This work has been valuable for guiding which building data to collect and how to augment our products. In 2014, we began to supply building height attributes as an alpha-release enhancement to our 2D topography data, OS MasterMap® Topography Layer. This is the first in a series of enhancements of our 2D data that forms part of a road map that will ultimately lead to a full range of 3D products. This paper outlines our research journey from the understanding of the key 3D building characteristics to the development of geo-spatial products and the specification of research. There remains a rich seam of research into methods for capturing user-focused, geo-spatial data to enable visualisation and analysis in three dimensions. Because the process of informing and designing a product is necessarily focused on the practicalities of production, storage and distribution, this paper is presented as a case report, as we believe our journey will be of interest to others involved in the capture of 3D buildings at a national level.

  6. Conducting polymer based biomolecular electronic devices

    Indian Academy of Sciences (India)

    Biomolecular electronics is rapidly evolving from physics, chemistry, biology, electronics and information technology. Organic materials such as proteins, pigments and conducting polymers have been considered as alternatives for carrying out the functions that are presently being performed by semiconductor silicon.

  7. Block-induced Complex Structures Building the Flare-productive Solar Active Region 12673

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Shuhong; Zhang, Jun [CAS Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Zhu, Xiaoshuai [Max-Planck Institute for Solar System Research, D-37077 Göttingen (Germany); Song, Qiao, E-mail: shuhongyang@nao.cas.cn [Key Laboratory of Space Weather, National Center for Space Weather, China Meteorological Administration, Beijing 100081 (China)

    2017-11-10

    Solar active region (AR) 12673 produced 4 X-class, 27 M-class, and numerous lower-class flares during its passage across the visible solar disk in 2017 September. Our study is to answer the questions why this AR was so flare-productive and how the X9.3 flare, the largest one of the past decade, took place. We find that there was a sunspot in the initial several days, and then two bipolar regions emerged nearby it successively. Due to the standing of the pre-existing sunspot, the movement of the bipoles was blocked, while the pre-existing sunspot maintained its quasi-circular shaped umbra only with the disappearance of a part of penumbra. Thus, the bipolar patches were significantly distorted, and the opposite polarities formed two semi-circular shaped structures. After that, two sequences of new bipolar regions emerged within the narrow semi-circular zone, and the bipolar patches separated along the curved channel. The new bipoles sheared and interacted with the previous ones, forming a complex topological system, during which numerous flares occurred. At the highly sheared region, a great deal of free energy was accumulated. On September 6, one negative patch near the polarity inversion line began to rapidly rotate and shear with the surrounding positive fields, and consequently the X9.3 flare erupted. Our results reveal that the block-induced complex structures built the flare-productive AR and the X9.3 flare was triggered by an erupting filament due to the kink instability. To better illustrate this process, a block-induced eruption model is proposed for the first time.

  8. A tribo-mechanical analysis of PVA-based building-blocks for implementation in a 2-layered skin model.

    Science.gov (United States)

    Morales Hurtado, M; de Vries, E G; Zeng, X; van der Heide, E

    2016-09-01

    Poly(vinyl) alcohol hydrogel (PVA) is a well-known polymer widely used in the medical field due to its biocompatibility properties and easy manufacturing. In this work, the tribo-mechanical properties of PVA-based blocks are studied to evaluate their suitability as a part of a structure simulating the length scale dependence of human skin. Thus, blocks of pure PVA and PVA mixed with Cellulose (PVA-Cel) were synthesised via freezing/thawing cycles and their mechanical properties were determined by Dynamic Mechanical Analysis (DMA) and creep tests. The dynamic tests addressed to elastic moduli between 38 and 50kPa for the PVA and PVA-Cel, respectively. The fitting of the creep compliance tests in the SLS model confirmed the viscoelastic behaviour of the samples with retardation times of 23 and 16 seconds for the PVA and PVA-Cel, respectively. Micro indentation tests were also achieved and the results indicated elastic moduli in the same range of the dynamic tests. Specifically, values between 45-55 and 56-81kPa were obtained for the PVA and PVA-Cel samples, respectively. The tribological results indicated values of 0.55 at low forces for the PVA decreasing to 0.13 at higher forces. The PVA-Cel blocks showed lower friction even at low forces with values between 0.2 and 0.07. The implementation of these building blocks in the design of a 2-layered skin model (2LSM) is also presented in this work. The 2LSM was stamped with four different textures and their surface properties were evaluated. The hydration of the 2LSM was also evaluated with a corneometer and the results indicated a gradient of hydration comparable to the human skin. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Oscillations Control of Rocking-Block-Type Buildings by the Addition of a Tuned Pendulum

    Directory of Open Access Journals (Sweden)

    Luca Collini

    2016-01-01

    Full Text Available This study deals with the dynamical evolutions exhibited by a simple mechanical model of building, comprising a parallelepiped standing on a horizontal plane. The main goal is the introduction of a pendulum in order to reduce oscillations. The theoretical part of the work consists of a Lagrange formulation and Galerkin approximation method, and dry friction has also been considered. From the analytical/numerical simulations, we derive some important conclusions, providing us with the tools suitable for the design of absorbers in practical cases.

  10. Energy Efficiency and Conservation Block Grant (EECBG)- Better Buildings Neighborhood Program Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Brown, Donisha; Harris, Barbara; Blue, Cynthia; Gaskins, Charla

    2014-09-16

    The original BetterBuildings for Greensboro grant program included an outreach campaign to inform 100% of the Greensboro community about the benefits of reducing energy use; a plan to reduce energy consumption in at least 34% of the homes and 10% of the other buildings in the east Greensboro target area; and a plan to create and retain jobs in the energy conservation industry. Under the original program structure the City of Greensboro planned to partner with local and regional lenders to create a diversified portfolio of loan products to meet the needs of various income levels and building types. All participants would participate in the loan programs as a method of meeting the program’s 5 to1 private capital match/leverage requirements. In June 2011 the program was restructured to include partnerships with large commercial and multifamily projects, with these partners providing the greater portion of the required match/leverage. The geographic focus was revised to include reducing energy consumption across the entire City of Greensboro, targeting neighborhoods with high concentrations of low-moderate income households and aged housing stock. The community outreach component used a neighborhood-based approach to train community residents and volunteers to conduct door-to-door neighborhood sweeps; delivered high quality information on available program resources; helped residents to evaluate alternative energy efficiency measures and alternative financing sources; assisted with contractor selections and monitoring/evaluation of work; coordinated activities with BetterBuildings program partners; and collected data required by the Department of Energy. Additionally, HERO (Home Energy Response Officers) delivered intro packages (energy efficiency information and products) to thousands of households at the initial point of contact. A pilot program (Early Adopters) was offered from March 1, 2011 through June 30, 2011. The Early Adopters program was designed to offer

  11. Computer-aided design of nanostructures from self- and directed-assembly of soft matter building blocks

    Science.gov (United States)

    Nguyen, Trung Dac

    2011-12-01

    Functional materials that are active at nanometer scales and adaptive to environment have been highly desirable for a huge array of novel applications ranging from photonics, sensing, fuel cells, smart materials to drug delivery and miniature robots. These bio-inspired features imply that the underlying structure of this type of materials should possess a well-defined ordering as well as the ability to reconfigure in response to a given external stimulus such as temperature, electric field, pH or light. In this thesis, we employ computer simulation as a design tool, demonstrating that various ordered and reconfigurable structures can be obtained from the self- and directed-assembly of soft matter nano-building blocks such as nanoparticles, polymer-tethered nanoparticles and colloidal particles. We show that, besides thermodynamic parameters, the self-assembly of these building blocks is governed by nanoparticle geometry, the number and attachment location of tethers, solvent selectivity, balance between attractive and repulsive forces, nanoparticle size polydispersity, and field strength. We demonstrate that higher-order nanostructures, i.e. those for which the correlation length is much greater than the length scale of individual assembling building blocks, can be hierarchically assembled. For instance, bilayer sheets formed by laterally tethered rods fold into spiral scrolls and helical structures, which are able to adopt different morphologies depending on the environmental condition. We find that a square grid structure formed by laterally tethered nanorods can be transformed into a bilayer sheet structure, and vice versa, upon shortening, or lengthening, the rod segments, respectively. From these inspiring results, we propose a general scheme by which shape-shifting particles are employed to induce the reconfiguration of pre-assembled structures. Finally, we investigate the role of an external field in assisting the formation of assembled structures that would

  12. Multidimensional persistence in biomolecular data.

    Science.gov (United States)

    Xia, Kelin; Wei, Guo-Wei

    2015-07-30

    Persistent homology has emerged as a popular technique for the topological simplification of big data, including biomolecular data. Multidimensional persistence bears considerable promise to bridge the gap between geometry and topology. However, its practical and robust construction has been a challenge. We introduce two families of multidimensional persistence, namely pseudomultidimensional persistence and multiscale multidimensional persistence. The former is generated via the repeated applications of persistent homology filtration to high-dimensional data, such as results from molecular dynamics or partial differential equations. The latter is constructed via isotropic and anisotropic scales that create new simiplicial complexes and associated topological spaces. The utility, robustness, and efficiency of the proposed topological methods are demonstrated via protein folding, protein flexibility analysis, the topological denoising of cryoelectron microscopy data, and the scale dependence of nanoparticles. Topological transition between partial folded and unfolded proteins has been observed in multidimensional persistence. The separation between noise topological signatures and molecular topological fingerprints is achieved by the Laplace-Beltrami flow. The multiscale multidimensional persistent homology reveals relative local features in Betti-0 invariants and the relatively global characteristics of Betti-1 and Betti-2 invariants. © 2015 Wiley Periodicals, Inc.

  13. First-Principles Prediction of New Electrides with Nontrivial Band Topology Based on One-Dimensional Building Blocks

    Science.gov (United States)

    Park, Changwon; Kim, Sung Wng; Yoon, Mina

    2018-01-01

    We introduce a new class of electrides with nontrivial band topology by coupling materials database searches and first-principles-calculations-based analysis. Cs3O and Ba3N are for the first time identified as a new class of electrides, consisting of one-dimensional (1D) nanorod building blocks. Their crystal structures mimic β -TiCl3 with the position of anions and cations exchanged. Unlike the weakly coupled nanorods of β -TiCl3 , Cs3O and Ba3N retain 1D anionic electrons along the hollow interrod sites; additionally, a strong interrod interaction in C3O and Ba3N induces band inversion in a 2D superatomic triangular lattice, resulting in Dirac-node lines. The new class of electrides can serve as a prototype for new electrides with a large cavity space that can be utilized for various applications such as gas storage, ion transport, and metal intercalation.

  14. Hierarchical assembly of inorganic nanostructure building blocks to octahedral superstructures-a true template-free self-assembly

    International Nuclear Information System (INIS)

    Kuchibhatla, Satyanarayana V N T; Karakoti, Ajay S; Seal, Sudipta

    2007-01-01

    A room temperature, template-free, wet chemical synthesis of ceria nanoparticles and their long term ageing characteristics are reported. High resolution transmission electron microscopy and UV-visible spectroscopy techniques are used to observe the variation in size, structure and oxidation state, respectively as a function of time. The morphology variation and the hierarchical assembly (octahedral superstructure) of nanostructures are imputed to the inherent structural aspects of cerium oxide. It is hypothesized that the 3-5 nm individual building blocks will undergo an intra-agglomerate re-orientation to attain the low energy configuration. This communication also emphasizes the need for long term ageing studies of nanomaterials in various solvents for multiple functionalities

  15. Naphthalene Bis(4,8-diamino-1,5-dicarboxyl)amide Building Block for Semiconducting Polymers.

    Science.gov (United States)

    Eckstein, Brian J; Melkonyan, Ferdinand S; Manley, Eric F; Fabiano, Simone; Mouat, Aidan R; Chen, Lin X; Facchetti, Antonio; Marks, Tobin J

    2017-10-18

    We report a new naphthalene bis(4,8-diamino-1,5-dicarboxyl)amide (NBA) building block for polymeric semiconductors. Computational modeling suggests that regio-connectivity at the 2,6- or 3,7-NBA positions strongly modulates polymer backbone torsion and, therefore, intramolecular π-conjugation and aggregation. Optical, electrochemical, and X-ray diffraction characterization of 3,7- and 2,6-dithienyl-substituted NBA molecules and corresponding isomeric NBA-bithiophene copolymers P1 and P2, respectively, reveals the key role of regio-connectivity. Charge transport measurements demonstrate that while the twisted 3,7-NDA-based P1 is a poor semiconductor, the planar 2,6-functionalized NBA polymers (P2-P4) exhibit ambipolarity, with μ e and μ h of up to 0.39 and 0.32 cm 2 /(V·s), respectively.

  16. Bark polyflavonoids from Pinus radiata as functional building-blocks for polylactic acid (PLA-based green composites

    Directory of Open Access Journals (Sweden)

    D. E. Garcia

    2016-10-01

    Full Text Available Polylactic acid (PLA was melt-blended with Pinus radiata unmodified and modified (hydroxypropyled bark polyflavonoids in order to use such polyphenolic building-blocks as functional additives for envisaged applications. Rheological, morphological, molecular, thermal, and flexural properties were studied. Polyflavonoids improved blend processability in terms of short-time mixing. Furthermore, hydroxypropylated polyflavonoids improve miscibility in binary and ternary blends. Blend-composition affects crystallization-, melting-, and glass transition-temperature of PLA, as well as thermal resistance, and flexural properties of the blends. Polyflavonoids induced PLA-crystallization, and polymer-chain decomposition. Modified and unmodified bark polyflavonoids from radiata pine can be used successfully in PLA-based green composites beyond the food-packaging applications. The high compatibility between PLA and hydroxypropyled polyflavonoids highlights the potential of such phenolic derivatives for PLA-based material design.

  17. Clinch River Breeder Reactor Plant: a building block in nuclear technology

    International Nuclear Information System (INIS)

    McCormack, M.

    1979-01-01

    Interest in breeder reactors dates from the Manhatten Project to the present effort to build the Clinch River Liquid Metal Fast Breeder Reactor (LMFBR) demonstration plant. Seven breeder-type reactors which were built during this time are described and their technological progress assessed. The Clinch River Breeder Reactor Project (CRBRP) has been designed to demonstrate that it can be licensed, can operate on a large power grid, and can provide industry with important experience. As the next logical step in LMFBR development, the project has suffered repeated cancellation efforts with only minor modifications to its schedule. Controversies have developed over the timing of a large-scale demonstration plant, the risks of proliferation, economics, and other problems. Among the innovative developments adopted for the CRBRP is a higher thermal efficiency potential, the type of development which Senator McCormack feels justifies continuing the project. He argues that the nuclear power program can and should be revitalized by continuing the CRBRP

  18. Clinch River Breeder Reactor Plant: a building block in nuclear technology

    Energy Technology Data Exchange (ETDEWEB)

    McCormack, M.

    1979-01-01

    Interest in breeder reactors dates from the Manhatten Project to the present effort to build the Clinch River Liquid Metal Fast Breeder Reactor (LMFBR) demonstration plant. Seven breeder-type reactors which were built during this time are described and their technological progress assessed. The Clinch River Breeder Reactor Project (CRBRP) has been designed to demonstrate that it can be licensed, can operate on a large power grid, and can provide industry with important experience. As the next logical step in LMFBR development, the project has suffered repeated cancellation efforts with only minor modifications to its schedule. Controversies have developed over the timing of a large-scale demonstration plant, the risks of proliferation, economics, and other problems. Among the innovative developments adopted for the CRBRP is a higher thermal efficiency potential, the type of development which Senator McCormack feels justifies continuing the project. He argues that the nuclear power program can and should be revitalized by continuing the CRBRP.

  19. Cost-effectiveness of the Family Nurse Partnership (FNP) programme in England: Evidence from the building blocks trial.

    Science.gov (United States)

    Corbacho, Belen; Bell, Kerry; Stamuli, Eugena; Richardson, Gerry; Ronaldson, Sarah; Hood, Kerenza; Sanders, Julia; Robling, Michael; Torgerson, David

    2017-12-01

    The Family Nurse Partnership (FNP) is a licensed intensive home visiting intervention developed in the United States. It has been provided in England by the Department of Health since 2006. The Building Blocks trial assessed the effectiveness and cost-effectiveness of FNP in England. We performed a cost-utility analysis (National Health Service (NHS) perspective) alongside the Building Blocks trial (over 2.5 y). The analysis was conducted in accordance with National Institute for Health and Clinical Excellence (NICE) reference case standards. Health-related quality of life was elicited from mothers using the EQ-5D-3L. Resource-use data were collected from self-reported questionnaires, Hospital Episode Statistics, general practitioner records and the central Department of Health FNP database. Costs and quality-adjusted life years (QALYs) were discounted at 3.5%. The base case analysis used an intention to treat approach on the imputed dataset using multiple imputation. The FNP intervention costs on average £1812 more per participant compared to usual care (95% confidence interval: -£2700; £5744). Incremental adjusted mean QALYs are marginally higher for FNP (mean difference 0.0036, 95% confidence interval: -0.017; 0.025). The probability of FNP being cost-effective is less than 20% given the current NICE willingness to pay threshold of £20 000 per additional QALY. The results were robust to sensitivity analyses. Given the absence of significant benefits of FNP in terms of the primary outcomes of the trial and only marginal maternal QALY gains, FNP does not represent a cost-effective intervention when compared with existing services already offered to young pregnant women. © 2017 John Wiley & Sons, Ltd.

  20. C8-Linked Pyrrolobenzodiazepine Monomers with Inverted Building Blocks Show Selective Activity against Multidrug Resistant Gram-Positive Bacteria.

    Science.gov (United States)

    Andriollo, Paolo; Hind, Charlotte K; Picconi, Pietro; Nahar, Kazi S; Jamshidi, Shirin; Varsha, Amrit; Clifford, Melanie; Sutton, J Mark; Rahman, Khondaker Miraz

    2018-02-09

    Antimicrobial resistance has become a major global concern. Development of novel antimicrobial agents for the treatment of infections caused by multidrug resistant (MDR) pathogens is an urgent priority. Pyrrolobenzodiazepines (PBDs) are a promising class of antibacterial agents initially discovered and isolated from natural sources. Recently, C8-linked PBD biaryl conjugates have been shown to be active against some MDR Gram-positive strains. To explore the role of building block orientations on antibacterial activity and obtain structure activity relationship (SAR) information, four novel structures were synthesized in which the building blocks of previously reported compounds were inverted, and their antibacterial activity was studied. The compounds showed minimum inhibitory concentrations (MICs) in the range of 0.125-32 μg/mL against MDR Gram-positive strains with a bactericidal mode of action. The results showed that a single inversion of amide bonds reduces the activity while the double inversion restores the activity against MDR pathogens. All inverted compounds did not stabilize DNA and lacked eukaryotic toxicity. The compounds inhibit DNA gyrase in vitro, and the most potent compound was equally active against both wild-type and mutant DNA gyrase in a biochemical assay. The observed activity of the compounds against methicillin resistant S. aureus (MRSA) strains with equivalent gyrase mutations is consistent with gyrase inhibition being the mechanism of action in vivo, although this has not been definitively confirmed in whole cells. This conclusion is supported by a molecular modeling study showing interaction of the compounds with wild-type and mutant gyrases. This study provides important SAR information about this new class of antibacterial agents.

  1. Building non-tortuous ion-conduction pathways using self-assembled block copolymers

    Science.gov (United States)

    Kim, Onnuri; Park, Moon Jeong

    Ion-containing polymers with self-assembled morphologies are becoming important ingredients of a wide range of electrochemical devices such as lithium-ion batteries, fuel cells and electroactive actuators. Although several studies have reported the relationship between morphologies and ion transport properties of such polymers, the most of quantitative analysis have been limited to two-dimensional morphologies as they occupy a large window of the phase diagrams. In present study, we investigated the effects of morphology on the ion transport efficiency with a focus on three-dimensional symmetry. A range of three-dimensional self-assembled morphologies, i.e., ill-defined cubic, orthorhombic network (O70) , and face-centered cubic phases (fcc) were achieved for a single sulfonated block copolymer upon the addition of non-stoichiometric ionic liquids. The type of three-dimensional lattice was found out to play a crucial role in determining the ion transport properties of composite membranes, where the most efficient ion-conduction was demonstrated for fcc phases with lowest tortuosity of 1 over orthorhombic networks phases (tortuosity:1.5). This intriguing result suggests a new avenue to designing polymer electrolytes with improved transport properties.

  2. Building-block architecture of botulinum toxin complex: Conformational changes provide insights into the hemagglutination ability of the complex

    Directory of Open Access Journals (Sweden)

    Tomonori Suzuki

    2017-03-01

    Full Text Available Clostridium botulinum produces the botulinum neurotoxin (BoNT. Previously, we provided evidence for the “building-block” model of botulinum toxin complex (TC. In this model, a single BoNT is associated with a single nontoxic nonhemagglutinin (NTNHA, yielding M-TC; three HA-70 molecules are attached and form M-TC/HA-70, and one to three “arms” of the HA-33/HA-17 trimer (two HA-33 and one HA-17 further bind to M-TC/HA-70 via HA-17 and HA-70 binding, yielding one-, two-, and three-arm L-TC. Of all TCs, only the three-arm L-TC caused hemagglutination. In this study, we determined the solution structures for the botulinum TCs using small-angle X-ray scattering (SAXS. The mature three-arm L-TC exhibited the shape of a “bird spreading its wings”, in contrast to the model having three “arms”, as revealed by transmission electron microscopy. SAXS images indicated that one of the three arms of the HA-33/HA-17 trimer bound to both HA-70 and BoNT. Taken together, these findings regarding the conformational changes in the building-block architecture of TC may explain why only three-arm L-TC exhibited hemagglutination.

  3. Methyl chloride via oxyhydrochlorination of methane: A building block for chemicals and fuels from natural gas

    Energy Technology Data Exchange (ETDEWEB)

    Benson, R.L.; Brown, S.S.D.; Ferguson, S.P.; Jarvis, R.F. Jr. [Dow Corning Corp., Carrollton, KY (United States)

    1995-12-31

    The objectives of this program are to (a) develop a process for converting natural gas to methyl chloride via an oxyhydrochlorination route using highly selective, stable catalysts in a fixed-bed, (b) design a reactor capable of removing the large amount of heat generated in the process so as to control the reaction, (c) develop a recovery system capable of removing the methyl chloride from the product stream and (d) determine the economics and commercial viability of the process. The general approach has been as follows: (a) design and build a laboratory scale reactor, (b) define and synthesize suitable OHC catalysts for evaluation, (c) select first generation OHC catalyst for Process Development Unit (PDU) trials, (d) design, construct and startup PDU, (e) evaluate packed bed reactor design, (f) optimize process, in particular, product recovery operations, (g) determine economics of process, (h) complete preliminary engineering design for Phase II and (i) make scale-up decision and formulate business plan for Phase II. Conclusions regarding process development and catalyst development are presented.

  4. PSI-BOIL, a building block towards the multi-scale modeling of flow boiling phenomena

    International Nuclear Information System (INIS)

    Niceno, Bojan; Andreani, Michele; Prasser, Horst-Michael

    2008-01-01

    handle solid obstacles in the flow and to simulate multiphase flows by explicit surface tracking using the Level Set (LS) approach. Solid blocks are represented as regions on numerical grid where momentum equations are not solved, but energy equation is, thus giving us the possibility to simulate fluid flow and heat transfer in the fluid part of the domain and heat transfer in the solid part (practically the fuel rod cladding) and having the possibility to simulate conjugate heat transfer is essential for simulation of boiling phenomena. In this work, we present the details of the PSI-BOIL program and some first results of free-surface flow simulation. (authors)

  5. Winter energy behaviour in multi-family block buildings in a temperate-cold climate in Argentina

    Energy Technology Data Exchange (ETDEWEB)

    Filippin, C. [CONICET - CC302, Santa Rosa, 6300 La Pampa (Argentina); Larsen, S. Flores [CONICET - CC302, Santa Rosa, 6300 La Pampa (Argentina); INENCO - Instituto de Investigaciones en Energias No Convencionales, U.N.Sa., CONICET, Avda. Bolivia 5150 - CP 4400, Salta Capital (Argentina); Mercado, V. [LAHV-Laboratorio de Ambienet Humano y Vivienda (INCIHUSA-CCT-CONICET) (Argentina)

    2011-01-15

    This paper analyzes the thermal and energy behaviour of apartments in three-story block buildings located along a NE-SW axis (azimuth = 120 ) in a temperate-cold climate (latitude: 36 57'; longitude: 64 27') in the city of Santa Rosa, La Pampa, central Argentina. Four apartments had been monitored during May and June 2009. Three of them are located in Block 126. Two of these apartments face South: 15 and 23 on the SE end, ground and first floor, respectively; 18 faces N on the second floor. Finally apartment, 12 is located in Block 374, on the first floor, faces N and shows a carpentry-closed balcony. The purpose of this work is - to study the evolution of the indoor temperature in each apartment; to analyze energy consumption and comfort conditions; to study energy potential and energy intervention in order to reduce energy consumption; to analyze bioclimatic alternatives feasibility and the possibility to extrapolate results to all blocks. On the basis of the analysis of natural gas historical consumption records, results showed that regarding heating energy consumption during the period May-June, Apartment 12, facing N, with its only bedroom facing NW and its carpentry-closed, transparent glass balcony, presented a mean temperature of 21.2 C, using a halogen heater for 6 h/day between 9 pm and 2 am (0.16 kWh/day/m{sup 2}). Apartment 15, on the SE end, first floor of the block consumed 22.5 kWh/day (0.43 kWh/day/m{sup 2}) (mean temperature = 22.2 C). Apartment 23, located on the second and top floor (on top of Apartment 15) with higher energy loss, consumed 28 kWh/day (0.54 kWh/day/m{sup 2}) (mean temperature 23.7 C). Apartment 18, also on the second floor and facing N, located in the centre and with its only bedroom facing SE, consumed 18.8 kWh/day (0.48 kWh/day/m{sup 2}) (mean temperature = 22.3 C). Apartment 23, with higher thermal loss through its envelope, but with heat transfer from the apartment located below, is the one that showed the highest

  6. Lightweight concrete blocks with EVA recycled aggregate: a contribution to the thermal efficiency of building external walls

    Directory of Open Access Journals (Sweden)

    De Melo, A. B.

    2013-12-01

    Full Text Available The regions with lots of shoe production suffer environmental impacts from waste generation during manufacturing of insoles and outsoles. Research conducted in Brazil has demonstrated the technical feasibility to recycle these wastes, especially Ethylene Vinyl Acetate (EVA, as lightweight aggregate, in the production of non-structural cement blocks. This article presents an evaluation of thermal performance with measurements of temperature variation in mini walls (1 m2 built with different materials, including various kinds of EVA block and ceramic bricks. Tests have shown efficient thermal performance for masonry blocks with EVA. These results and supplementary estimates contribute to add value to the EVA block, considering that there are good expectations that the component, with the new geometry proposed, can contribute to the energy efficiency of buildings, highlighting its suitability to most Brazilian bioclimatic regions.Las regiones con una gran producción de calzado sufren impactos ambientales derivados de la generación de residuos durante la producción de plantillas y suelas. Investigaciones realizadas en Brasil han demostrado la viabilidad técnica para el reciclaje de estos residuos, especialmente el Etileno Vinil Acetato (EVA, como agregado ligero en la fabricación de bloques de hormigón no estructurales. Este trabajo presenta una evaluación del rendimiento térmico, con mediciones de la variación de la temperatura en pequeñas paredes (1 m2 construidas con diversos materiales, incluyendo algunos tipos de bloques EVA y ladrillos de cerámica. Las pruebas demostraron actuaciones térmicas eficientes para las muestras con bloques EVA. Estos resultados y cálculos adicionales contribuyen con un aporte de valor añadido al bloque EVA, considerando que existen buenas expectativas del componente, con una nueva propuesta de geometría, pudiendo contribuir a la eficiencia energética de edificios, especialmente por su adecuación a la

  7. Enabling the 2nd Generation in Space: Building Blocks for Large Scale Space Endeavours

    Science.gov (United States)

    Barnhardt, D.; Garretson, P.; Will, P.

    Today the world operates within a "first generation" space industrial enterprise, i.e. all industry is on Earth, all value from space is from bits (data essentially), and the focus is Earth-centric, with very limited parts of our population and industry participating in space. We are limited in access, manoeuvring, on-orbit servicing, in-space power, in-space manufacturing and assembly. The transition to a "Starship culture" requires the Earth to progress to a "second generation" space industrial base, which implies the need to expand the economic sphere of activity of mankind outside of an Earth-centric zone and into CIS-lunar space and beyond, with an equal ability to tap the indigenous resources in space (energy, location, materials) that will contribute to an expanding space economy. Right now, there is no comfortable place for space applications that are not discovery science, exploration, military, or established earth bound services. For the most part, space applications leave out -- or at least leave nebulous, unconsolidated, and without a critical mass -- programs and development efforts for infrastructure, industrialization, space resources (survey and process maturation), non-traditional and persistent security situational awareness, and global utilities -- all of which, to a far greater extent than a discovery and exploration program, may help determine the elements of a 2nd generation space capability. We propose a focus to seed the pre-competitive research that will enable global industry to develop the necessary competencies that we currently lack to build large scale space structures on-orbit, that in turn would lay the foundation for long duration spacecraft travel (i.e. key technologies in access, manoeuvrability, etc.). This paper will posit a vision-to-reality for a step wise approach to the types of activities the US and global space providers could embark upon to lay the foundation for the 2nd generation of Earth in space.

  8. Energy Efficiency and Conservation Block Grant (EECBG): Better Buildings Neighborhood Program Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Donnelly, Kat A.

    2014-01-10

    The Neighbor to Neighbor Energy Challenge (N2N) brought together a consortium of 14 leading clean energy rural, suburban, and low income communities throughout Connecticut. N2N was awarded $4.2 million from the U.S. Department of Energy (DOE) competitive BetterBuildings Neighborhood Program on August 10, 2010 to run a two-year pilot program (plus one year of transition and evaluation) (Award No. EMCBC- 00969-10). N2N tested innovative program models and hypotheses for improving Connecticut’s existing residential energy efficiency programs that are overseen by the ratepayer fund board and administered by CT utilities. N2N’s original goal was to engage 10 percent of households in participating communities to reduce their energy usage by 20 percent through energy upgrades and clean energy measures. N2N planned for customers to complete more comprehensive whole-home energy efficiency and clean energy measures and to achieve broader penetration than existing utility-administered regulated programs. Since this was an ARRA award, we report the following figures on job creation in Table 1. Since N2N is not continuing in its current form, we do not provide figures on job retention. Table 1 N2N Job Creation by Quarter Jobs Created 2010 Q4 6.65 2011 Q1 7.13 2011 Q2 4.98 2011 Q3 9.66 2011 Q4 5.43 2012 Q1 11.11 2012 Q2 6.85 2012 Q3 6.29 2012 Q4 6.77 2013 Q1 5.57 2013 Q2 8.35 2013 Q3 6.52 Total 85.31 The N2N team encountered several gaps in the existing efficiency program performance that hindered meeting N2N’s and DOE’s short-term program goals, as well as the State of Connecticut’s long-term energy, efficiency, and carbon reduction goals. However, despite the slow program start, N2N found evidence of increasing upgrade uptake rates over time, due to delayed customer action of one to two years from N2N introduction to completion of deeper household upgrades. Two main social/behavioral principles have contributed to driving deeper upgrades in CT: 1. Word of mouth

  9. Enstatite chondrites EL3 as building blocks for the Earth: The debate over the 146Sm-142Nd systematics

    Science.gov (United States)

    Boyet, M.; Bouvier, A.; Frossard, P.; Hammouda, T.; Garçon, M.; Gannoun, A.

    2018-04-01

    The 146Sm-142Nd extinct decay scheme (146Sm half-life of 103 My) is a powerful tool to trace early Earth silicate differentiation. Differences in 142Nd abundance measured between different chondrite meteorite groups and the modern Earth challenges the interpretation of the 142Nd isotopic variations found in terrestrial samples because the origin of the Earth and the nature of its building blocks is still an ongoing debate. As bulk meteorites, the enstatite chondrites (EC) have isotope signatures that are the closest to the Earth value with an average small deficit of ∼10 ppm in 142Nd relative to modern terrestrial samples. Here we review all the Nd isotope data measured on EC so far, and present the first measurements on an observed meteorite fall Almahata Sitta containing pristine fragments of an unmetamorphosed enstatite chondrite belonging to the EL3 subgroup. Once 142Nd/144Nd ratios are normalized to a common chondritic evolution, samples from the EC group (both EL and EH) have a deficit in 142Nd but the dispersion is important (μ142 Nd = - 10 ± 12 (2SD) ppm). This scatter reflects their unique mineralogy associated to their formation in reduced conditions (low fO2 or high C/O). Rare-earth elements are mainly carried by the sulfide phase oldhamite (CaS) that is more easily altered than silicates by weathering since most of the EC meteorites are desert finds. The EL6 have fractionated rare-earth element patterns with depletion in the most incompatible elements. Deviations in Nd mass independent stable isotope ratios in enstatite chondrites relative to terrestrial standard are not resolved with the level of analytical precision achieved by modern mass spectrometry techniques. Here we show that enstatite chondrites from the EL3 and EL6 subgroups may come from different parent bodies. Samples from the EL3 subgroup have Nd (μ142 Nd = - 0.8 ± 7.0, 2SD) and Ru isotope ratios undistinguishable from that of the Bulk Silicate Earth. EL3 samples have never been

  10. Synthesis of a Hoechst 32258 analogue amino acid building block for direct incorporation of a fluorescent, high-affinity DNA binding motif into peptides

    DEFF Research Database (Denmark)

    Behrens, C; Harrit, N; Nielsen, P E

    2001-01-01

    The synthesis of a new versatile "Hoechst 33258-like" Boc-protected amino acid building block for peptide synthesis is described. It is demonstrated that this new ligand is an effective mimic of Hoechst 33258 in terms of DNA affinity and sequence specificity. Furthermore, this minor groove binder...

  11. Role of Solvent, pH, and Molecular Size in Excited-State Deactivation of Key Eumelanin Building Blocks: Implications for Melanin Pigment Photostability

    DEFF Research Database (Denmark)

    Gauden, M.; Pezzella, A.; Panzella, L.

    2008-01-01

      Ultrafast time-resolved fluorescence spectroscopy has been used to investigate the excited state dynamics of the basic eumelanin building block 5,6-dihydroxyindole-2-carboxylic acid  (DHICA) its acetylated, methylated and carboxylic ester derivatives as well as two oligomers, a dimer and a trim...

  12. Correction: Self-assembled 4-(1,2-diphenylbut-1-en-1-yl)aniline based nanoparticles: podophyllotoxin and aloin as building blocks.

    Science.gov (United States)

    Fumagalli, Gaia; Christodoulou, Michael S; Riva, Benedetta; Revuelta, Inigo; Marucci, Cristina; Collico, Veronica; Prosperi, Davide; Riva, Sergio; Perdicchia, Dario; Bassanini, Ivan; García-Argáez, Aida; Via, Lisa Dalla; Passarella, Daniele

    2017-02-21

    Correction for 'Self-assembled 4-(1,2-diphenylbut-1-en-1-yl)aniline based nanoparticles: podophyllotoxin and aloin as building blocks' by Gaia Fumagalli, et al., Org. Biomol. Chem., 2017, DOI: 10.1039/c6ob02591a.

  13. Systems thinking in practice: the current status of the six WHO building blocks for health system strengthening in three BHOMA intervention districts of Zambia: a baseline qualitative study.

    Science.gov (United States)

    Mutale, Wilbroad; Bond, Virginia; Mwanamwenge, Margaret Tembo; Mlewa, Susan; Balabanova, Dina; Spicer, Neil; Ayles, Helen

    2013-08-01

    The primary bottleneck to achieving the MDGs in low-income countries is health systems that are too fragile to deliver the volume and quality of services to those in need. Strong and effective health systems are increasingly considered a prerequisite to reducing the disease burden and to achieving the health MDGs. Zambia is one of the countries that are lagging behind in achieving millennium development targets. Several barriers have been identified as hindering the progress towards health related millennium development goals. Designing an intervention that addresses these barriers was crucial and so the Better Health Outcomes through Mentorship (BHOMA) project was designed to address the challenges in the Zambia's MOH using a system wide approach. We applied systems thinking approach to describe the baseline status of the Six WHO building blocks for health system strengthening. A qualitative study was conducted looking at the status of the Six WHO building blocks for health systems strengthening in three BHOMA districts. We conducted Focus group discussions with community members and In-depth Interviews with key informants. Data was analyzed using Nvivo version 9. The study showed that building block specific weaknesses had cross cutting effect in other health system building blocks which is an essential element of systems thinking. Challenges noted in service delivery were linked to human resources, medical supplies, information flow, governance and finance building blocks either directly or indirectly. Several barriers were identified as hindering access to health services by the local communities. These included supply side barriers: Shortage of qualified health workers, bad staff attitude, poor relationships between community and health staff, long waiting time, confidentiality and the gender of health workers. Demand side barriers: Long distance to health facility, cost of transport and cultural practices. Participating communities seemed to lack the capacity

  14. Biomolecular computers with multiple restriction enzymes

    Directory of Open Access Journals (Sweden)

    Sebastian Sakowski

    2017-10-01

    Full Text Available Abstract The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann “bottleneck”. Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro’s group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases.

  15. Biomolecular computers with multiple restriction enzymes

    Science.gov (United States)

    Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz

    2017-01-01

    Abstract The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann “bottleneck”. Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro’s group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases. PMID:29064510

  16. Conducting polymer based biomolecular electronic devices

    Indian Academy of Sciences (India)

    Conducting polymers such as polypyrroles, polythiophenes and polyanilines have been projected for applications for a wide range of biomolecular electronic devices such as optical, electronic, drug-delivery, memory and biosensing devices. Our group has been actively working towards the application of conducting ...

  17. Conducting polymer based biomolecular electronic devices

    Indian Academy of Sciences (India)

    Abstract. Biomolecular electronics is rapidly evolving from physics, chemistry, biology, electron- ics and information technology. Organic materials such as proteins, pigments and conducting poly- mers have been considered as alternatives for carrying out the functions that are presently being performed by semiconductor ...

  18. Biomolecular computers with multiple restriction enzymes.

    Science.gov (United States)

    Sakowski, Sebastian; Krasinski, Tadeusz; Waldmajer, Jacek; Sarnik, Joanna; Blasiak, Janusz; Poplawski, Tomasz

    2017-01-01

    The development of conventional, silicon-based computers has several limitations, including some related to the Heisenberg uncertainty principle and the von Neumann "bottleneck". Biomolecular computers based on DNA and proteins are largely free of these disadvantages and, along with quantum computers, are reasonable alternatives to their conventional counterparts in some applications. The idea of a DNA computer proposed by Ehud Shapiro's group at the Weizmann Institute of Science was developed using one restriction enzyme as hardware and DNA fragments (the transition molecules) as software and input/output signals. This computer represented a two-state two-symbol finite automaton that was subsequently extended by using two restriction enzymes. In this paper, we propose the idea of a multistate biomolecular computer with multiple commercially available restriction enzymes as hardware. Additionally, an algorithmic method for the construction of transition molecules in the DNA computer based on the use of multiple restriction enzymes is presented. We use this method to construct multistate, biomolecular, nondeterministic finite automata with four commercially available restriction enzymes as hardware. We also describe an experimental applicaton of this theoretical model to a biomolecular finite automaton made of four endonucleases.

  19. Biomolecular engineering for nanobio/bionanotechnology

    Science.gov (United States)

    Nagamune, Teruyuki

    2017-04-01

    Biomolecular engineering can be used to purposefully manipulate biomolecules, such as peptides, proteins, nucleic acids and lipids, within the framework of the relations among their structures, functions and properties, as well as their applicability to such areas as developing novel biomaterials, biosensing, bioimaging, and clinical diagnostics and therapeutics. Nanotechnology can also be used to design and tune the sizes, shapes, properties and functionality of nanomaterials. As such, there are considerable overlaps between nanotechnology and biomolecular engineering, in that both are concerned with the structure and behavior of materials on the nanometer scale or smaller. Therefore, in combination with nanotechnology, biomolecular engineering is expected to open up new fields of nanobio/bionanotechnology and to contribute to the development of novel nanobiomaterials, nanobiodevices and nanobiosystems. This review highlights recent studies using engineered biological molecules (e.g., oligonucleotides, peptides, proteins, enzymes, polysaccharides, lipids, biological cofactors and ligands) combined with functional nanomaterials in nanobio/bionanotechnology applications, including therapeutics, diagnostics, biosensing, bioanalysis and biocatalysts. Furthermore, this review focuses on five areas of recent advances in biomolecular engineering: (a) nucleic acid engineering, (b) gene engineering, (c) protein engineering, (d) chemical and enzymatic conjugation technologies, and (e) linker engineering. Precisely engineered nanobiomaterials, nanobiodevices and nanobiosystems are anticipated to emerge as next-generation platforms for bioelectronics, biosensors, biocatalysts, molecular imaging modalities, biological actuators, and biomedical applications.

  20. Production of carbohydrate building blocks from red seaweed polysaccharides. Efficient conversion of galactans into C-glycosyl aldehydes.

    Science.gov (United States)

    Ducatti, Diogo R B; Massi, Alessandro; Noseda, Miguel D; Duarte, Maria Eugênia R; Dondoni, Alessandro

    2009-02-07

    Agarans and carrageenans are abundant natural polysaccharides which are obtained on a large scale by water extraction from a variety of red seaweeds. These galactans, in addition to being valuable products for the pharmaceutical and food industries, are low cost starting materials for the preparation of useful and rare carbohydrate-based building blocks whose access by total synthesis is difficult and expensive. The semisynthesis of two sets of C-glycosyl aldehydes with l- and d-configuration from agarose and kappa-carrageenan respectively is described. Succinctly, the partial acid-catalyzed mercaptolysis of the two galactans under mild conditions afforded agarobiose and carrabiose (beta-d-Galp-(1-->4)-3,6-anhydro-aldehydo-l- and d-galactose, respectively) derivatives. Complete depolymerization of agarose and kappa-carrageenan under harsher conditions produced 3,6-anhydro l- and d-galactose aldehyde derivatives. Chain shortening of these products via alditol formation and oxidative carbon-carbon bond cleavage furnished C-formyl alpha-l- and alpha-d-threofuranosides. The above C-glycosyl aldehydes were all prepared on a meaningful preparative scale starting from gram quantities of galactans. Finally, a new procedure for the preparation of the 2,3-O-benzyl l-threofuranose was established by Baeyer-Villiger oxidation of the benzylated C-formyl alpha-l-threofuranoside here prepared from agarose.

  1. Formation of Methylamine and Ethylamine in Extraterrestrial Ices and Their Role as Fundamental Building Blocks of Proteinogenic α -amino Acids

    Energy Technology Data Exchange (ETDEWEB)

    Förstel, Marko; Bergantini, Alexandre; Maksyutenko, Pavlo; Góbi, Sándor; Kaiser, Ralf I., E-mail: ralfk@hawaii.edu [W. M. Keck Research Laboratory in Astrochemistry, University of Hawaii at Manoa, Honolulu, Hawaii, HI, 96822 (United States)

    2017-08-10

    The –CH–NH{sub 2} moiety represents the fundamental building block of all proteinogenic amino acids, with the cyclic amino acid proline being a special case (–CH–NH– in proline). Exploiting a chemical retrosynthesis, we reveal that methylamine (CH{sub 3}NH{sub 2}) and/or ethylamine (CH{sub 3}CH{sub 2}NH{sub 2}) are essential precursors in the formation of each proteinogenic amino acid. In the present study we elucidate the abiotic formation of methylamine and ethylamine from ammonia (NH{sub 3}) and methane (CH{sub 4}) ices exposed to secondary electrons generated by energetic cosmic radiation in cometary and interstellar model ices. Our experiments show that methylamine and ethylamine are crucial reaction products in irradiated ices composed of ammonia and methane. Using isotopic substitution studies we further obtain valuable information on the specific reaction pathways toward methylamine. The very recent identification of methylamine and ethylamine together with glycine in the coma of 67P/Churyumov–Gerasimenko underlines their potential to the extraterrestrial formation of amino acids.

  2. Surface tectonics of nanoporous networks of melamine-capped molecular building blocks formed through interface Schiff-base reactions.

    Science.gov (United States)

    Liu, Xuan-He; Wang, Dong; Wan, Li-Jun

    2013-10-01

    Control over the assembly of molecules on a surface is of great importance for the fabrication of molecule-based miniature devices. Melamine (MA) and molecules with terminal MA units are promising candidates for supramolecular interfacial packing patterning, owing to their multiple hydrogen-bonding sites. Herein, we report the formation of self-assembled structures of MA-capped molecules through a simple on-surface synthetic route. MA terminal groups were successfully fabricated onto rigid molecular cores with 2-fold and 3-fold symmetry through interfacial Schiff-base reactions between MA and aldehyde groups. Sub-molecular scanning tunneling microscopy (STM) imaging of the resultant adlayer revealed the formation of nanoporous networks. Detailed structural analysis indicated that strong hydrogen-bonding interactions between the MA groups persistently drove the formation of nanoporous networks. Herein, we demonstrate that functional groups with strong hydrogen-bond-formation ability are promising building blocks for the guided assembly of nanoporous networks and other hierarchical 2D assemblies. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Design of nanocarriers for nanoscale drug delivery to enhance cancer treatment using hybrid polymer and lipid building blocks.

    Science.gov (United States)

    Zhang, Rui Xue; Ahmed, Taksim; Li, Lily Yi; Li, Jason; Abbasi, Azhar Z; Wu, Xiao Yu

    2017-01-26

    Polymer-lipid hybrid nanoparticles (PLN) are an emerging nanocarrier platform made from building blocks of polymers and lipids. PLN integrate the advantages of biomimetic lipid-based nanoparticles (i.e. solid lipid nanoparticles and liposomes) and biocompatible polymeric nanoparticles. PLN are constructed from diverse polymers and lipids and their numerous combinations, which imparts PLN with great versatility for delivering drugs of various properties to their nanoscale targets. PLN can be classified into two types based on their hybrid nanoscopic structure and assembly methods: Type-I monolithic matrix and Type-II core-shell systems. This article reviews the history of PLN development, types of PLN, lipid and polymer candidates, fabrication methods, and unique properties of PLN. The applications of PLN in delivery of therapeutic or imaging agents alone or in combination for cancer treatment are summarized and illustrated with examples. Important considerations for the rational design of PLN for advanced nanoscale drug delivery are discussed, including selection of excipients, synthesis processes governing formulation parameters, optimization of nanoparticle properties, improvement of particle surface functionality to overcome macroscopic, microscopic and cellular biological barriers. Future directions and potential clinical translation of PLN are also suggested.

  4. Adding a functional handle to nature's building blocks: the asymmetric synthesis of β-hydroxy-α-amino acids.

    Science.gov (United States)

    Zhang, Yinfeng; Farrants, Helen; Li, Xuechen

    2014-07-01

    β-Hydroxy-α-amino acids are not only used by synthetic chemists but are also found in natural products, many of which show anti-microbial or anti-cancer properties. Over the past 30 years, chemists have searched for many asymmetric routes to these useful building blocks. Initial attempts to synthesize these compounds utilized chiral auxiliaries and the reactions of glycine equivalents with aldehydes to form two stereocenters in one step. Other methods with the formation of specific intermediates or that were aimed at a specific amino acid have also been investigated. Asymmetric hydrogenation by dynamic kinetic resolution has emerged as a high-yielding method for the synthesis of an array of modified amino acids with good stereoselectivity. More recently, amino-acid functionalization and multicomponent reactions have increased the atom economy and simplified many long and difficult routes. In this Focus Review, many of the elegant syntheses of these compounds are explored. The applications of β-hydroxy-α-amino acids in natural-product synthesis are also mentioned. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. CdTe magic-sized clusters and the use as building blocks for assembling two-dimensional nanoplatelets

    Science.gov (United States)

    Xu, Hu; Hou, Yumei; Zhang, Hua

    2017-06-01

    A facile one-pot noninjection synthesis of CdTe magic-sized clusters (MSCs) and their use as building blocks for assembling two-dimensional (2D) quantum confined nanoplatelets (NPLs) are reported. Four distinct MSC families, with the first exciton absorption peaks at 447 nm (F447), 485 nm (F485), 535 nm (F535), and 555 nm (F555), are synthesized by the reaction between cadmium oleate and trioctylphosphine tellurium (TOP-Te) in octadecene media containing primary amine and TOP at appropriate intermediate temperatures. Especially, F447 is obtained in pure form and can self-assemble in situ into 2D NPLs in the reaction solution. The formation, growth, and transformation of CdTe MSCs are monitored mainly by UV-Vis absorption spectroscopy. The pure F447 and its assembled 2D NPLs are further characterized using transmission electron microscopy. The influence of various experimental variables, including reaction temperature, the nature, and amount of capping ligands, on the stability and growth kinetics of the obtained MSC families has been systematically investigated. Experimental results indicate that the appropriate reaction temperature and the presence of long hydrocarbon chain primary amines play a crucial role in the formation of MSCs and the subsequent assembly into 2D NPLs. Primary amines can also promote ultra-small sized CdTe regular nanocrystals to transform into MSCs, and therefore, CdTe MSCs can be obtained indirectly from regularly sized nanocrystals. [Figure not available: see fulltext.

  6. Solvent- and Halogen-Free Modification of Biobased Polyphenols to Introduce Vinyl Groups: Versatile Aromatic Building Blocks for Polymer Synthesis.

    Science.gov (United States)

    Duval, Antoine; Avérous, Luc

    2017-04-22

    Various biobased polyphenols (lignins and condensed tannins) were derivatized with vinyl ethylene carbonate, a functional cyclic carbonate, to obtain multifunctional aromatic polymers bearing vinyl groups. The reaction was optimized on a condensed tannin and soda lignin. In both cases, full conversion of the phenol groups was achieved in only 1 h at 150 °C without solvent and with K 2 CO 3 as a cheap and safe catalyst. This reaction was later applied to other condensed tannins and technical lignins (Kraft and organosolv), showing only little dependence on the chemical structure of the polyphenols. The obtained derivatives were thoroughly characterized by 1 H and 31 P NMR spectroscopy, FTIR spectroscopy, and size-exclusion chromatography. The developed method was compared with previously published protocols for the introduction of vinyl groups on lignin, and shows promising advances toward the modification of biobased polyphenols according to green chemistry principles. The obtained macromolecules show great potential as highly versatile biobased aromatic building blocks for the synthesis of polymers through, for example, radical, metathesis, or thiol-ene reactions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Transforming common III-V/II-VI insulating building blocks into topological heterostructure via the intrinsic electric polarization

    Science.gov (United States)

    Zunger, Alex; Zhang, Xiuwen; Abdalla, Leonardo; Liu, Qihang

    Currently known topological insulators (TIs) are limited to narrow gap compounds incorporating heavy elements, thus severely limiting the material pool available for such applications. We show how a heterovalent superlattice made of common semiconductor building blocks can transform its non-TI components into a topological heterostructure. The heterovalent nature of such interfaces sets up, in the absence of interfacial atomic exchange, a natural internal electric field that along with the quantum confinement leads to band inversion, transforming these semiconductors into a topological phase while also forming a giant Rashba spin splitting. We demonstrate this paradigm of designing TIs from ordinary semiconductors via first-principle calculations on III-V/II-VI superlattice InSb/CdTe. We illustrate the relationship between the interfacial stability and the topological transition, finding a ``window of opportunity'' where both conditions can be optimized. This work illustrates the general principles of co-evaluation of TI functionality with thermodynamic stability as a route of identifying realistic combination of common insulators that could produce topological heterostructures. This work was supported by Basic Energy Science, MSE division (Grant DE-FG02-13ER46959).

  8. Could the ethics of institutionalized health care be anything but Kantian? Collecting building blocks for a unifying metaethics.

    Science.gov (United States)

    Kaldis, Byron

    2005-01-01

    Is a Health Care Ethics possible? Against sceptical and relativist doubts Kantian deontology may advance a challenging alternative affirming the possibility of such an ethics on the condition that deontology be adopted as a total programme or complete vision. Kantian deontology is enlisted to move us from an ethics of two-person informal care to one of institutions. It justifies this affirmative answer by occupying a commanding meta-ethical stand. Such a total programme comprises, on the one hand, a dual-aspect strategy incorporating the macro- (institutional) and micro- (person-to-person) levels while, on the other, it integrates consistently within moral epistemology a meta-ethics with lower-ground moral theories. The article describes the issues to be dealt with and the problems which have to be solved on the way to a unifying theory of that kind (Sections I-III) and indicates elements of Kantian moral philosophy which may serve as building blocks (Section IV). Among these are not only Kant's ideas concerning the moral acting of persons and his ideas concerning civil society and state but also his ideas concerning morality, schematism and religion.

  9. Converting biomolecular modelling data based on an XML representation.

    Science.gov (United States)

    Sun, Yudong; McKeever, Steve

    2008-08-25

    Biomolecular modelling has provided computational simulation based methods for investigating biological processes from quantum chemical to cellular levels. Modelling such microscopic processes requires atomic description of a biological system and conducts in fine timesteps. Consequently the simulations are extremely computationally demanding. To tackle this limitation, different biomolecular models have to be integrated in order to achieve high-performance simulations. The integration of diverse biomolecular models needs to convert molecular data between different data representations of different models. This data conversion is often non-trivial, requires extensive human input and is inevitably error prone. In this paper we present an automated data conversion method for biomolecular simulations between molecular dynamics and quantum mechanics/molecular mechanics models. Our approach is developed around an XML data representation called BioSimML (Biomolecular Simulation Markup Language). BioSimML provides a domain specific data representation for biomolecular modelling which can effciently support data interoperability between different biomolecular simulation models and data formats.

  10. INFERENCE BUILDING BLOCKS

    Science.gov (United States)

    2018-02-15

    whether unsupervised (such as clustering) or supervised (such as Naive Bayes). We observed the following advantages: 1 APPROVED FOR PUBLIC RELEASE...section, we explain our research in relation to DARPA’s Probabilistic Programming for Advancing Machine Learning (PPAML) program and other approaches...develop machine- learning applications by combining probabilistic models and inference techniques. On one hand, a probabilistic model is a mathematical

  11. Rapid and annealing-free self-assembly of DNA building blocks for 3D hydrogel chaperoned by cationic comb-type copolymers.

    Science.gov (United States)

    Zhang, Zheng; Wu, Yuyang; Yu, Feng; Niu, Chaoqun; Du, Zhi; Chen, Yong; Du, Jie

    2017-10-01

    The construction and self-assembly of DNA building blocks are the foundation of bottom-up development of three-dimensional DNA nanostructures or hydrogels. However, most self-assembly from DNA components is impeded by the mishybridized intermediates or the thermodynamic instability. To enable rapid production of complicated DNA objects with high yields no need for annealing process, herein different DNA building blocks (Y-shaped, L- and L'-shaped units) were assembled in presence of a cationic comb-type copolymer, poly (L-lysine)-graft-dextran (PLL-g-Dex), under physiological conditions. The results demonstrated that PLL-g-Dex not only significantly promoted the self-assembly of DNA blocks with high efficiency, but also stabilized the assembled multi-level structures especially for promoting the complicated 3D DNA hydrogel formation. This study develops a novel strategy for rapid and high-yield production of DNA hydrogel even derived from instable building blocks at relatively low DNA concentrations, which would endow DNA nanotechnology for more practical applications.

  12. STRUCTURAL SOLUTIONS AND SPECIAL FEATURES OF THE THERMAL PROTECTION ANALYSIS OF EXTERIOR WALLS OF BUILDINGS MADE OF AUTOCLAVED GAS-CONCRETE BLOCKS

    Directory of Open Access Journals (Sweden)

    Bedov Anatolij Ivanovich

    2012-10-01

    Full Text Available Relevant structural solutions, physical and mechanical characteristics, coefficients of thermal conductivity for exterior masonry walls made of autoclaved gas-concrete blocks are provided in the article. If a single-layer wall is under consideration, an autoclaved gas-concrete block is capable of performing the two principal functions of a shell structure, including the function of thermal protection and the bearing function. The functions are performed simultaneously. Therefore, the application of the above masonry material means the design development and erection of exterior walls of residential buildings noteworthy for their thermal efficiency. In the event of frameless structures, the height of the residential building in question may be up to 5 stories, while the use of a monolithic or a ready-made frame makes it possible to build high-rise buildings, and the number of stories is not limited in this case. If the average block density is equal to 400…500 kilograms per cubic meter, the designed wall thickness is to be equal to 400 mm. Its thermal resistance may be lower than the one set in the event of the per-element design of the thermal protection (Rreq = 3.41 м2 C/Watt, in Ufa, although it will meet the requirements of the applicable regulations if per-unit power consumption rate is considered.

  13. Social cognition: empirical contribution. The developmental building blocks of psychopathic traits: revisiting the role of theory of mind.

    Science.gov (United States)

    Sharp, Carla; Vanwoerden, Salome

    2014-02-01

    In the context of personality disorder development, theories of typical and atypical development both emphasize social cognition as an important building block for personality development. Prior claims of intact theory of mind (ToM) abilities in psychopathic individuals have relied upon a narrow conception of ToM as equivalent to "cognitive empathy." In this article, the authors make use of a broader conception of ToM comprising top-down and bottom-up processing, as well as the fractionation of ToM in terms of reduced or excessive ToM function, to examine relationships between ToM and psychopathic traits. A total of 342 adolescents (ages 12-17; Mage 15.39; SD = 1.45; 61.5% females) completed the Movie Assessment for Social Cognition (Dziobek, Fleck, Kalbe, et al., 2006) and the Child Eyes Test (Baron-Cohen, Wheelwright, Hill, Raste, & Plumb, 2001) in addition to three measures of psychopathic traits. Results demonstrated unique relations between the affective components of psychopathy (callous-unemotional traits [CU traits]) and impairment in both top-down and bottom-up ToM. In addition, excessive ToM related to affective components of psychopathy, while reduced or no ToM related to behavioral components of psychopathy. In mediational analyses, bottom-up ToM was shown to be necessary for top-town ToM in its relation with CU traits. Taken together, these results from the study lend support to revisiting the link between ToM and psychopathy.

  14. Functional Exchangeability of Oxidase and Dehydrogenase Reactions in the Biosynthesis of Hydroxyphenylglycine, a Nonribosomal Peptide Building Block.

    Science.gov (United States)

    Diez, Veronica; Loznik, Mark; Taylor, Sandra; Winn, Michael; Rattray, Nicholas J W; Podmore, Helen; Micklefield, Jason; Goodacre, Royston; Medema, Marnix H; Müller, Ulrike; Bovenberg, Roel; Janssen, Dick B; Takano, Eriko

    2015-07-17

    A key problem in the engineering of pathways for the production of pharmaceutical compounds is the limited diversity of biosynthetic enzymes, which restricts the attainability of suitable traits such as less harmful byproducts, enhanced expression features, or different cofactor requirements. A promising synthetic biology approach is to redesign the biosynthetic pathway by replacing the native enzymes by heterologous proteins from unrelated pathways. In this study, we applied this method to effectively re-engineer the biosynthesis of hydroxyphenylglycine (HPG), a building block for the calcium-dependent antibiotic of Streptomyces coelicolor, a nonribosomal peptide. A key step in HPG biosynthesis is the conversion of 4-hydroxymandelate to 4-hydroxyphenylglyoxylate, catalyzed by hydroxymandelate oxidase (HmO), with concomitant generation of H2O2. The same reaction can also be catalyzed by O2-independent mandelate dehydrogenase (MdlB), which is a catabolic enzyme involved in bacterial mandelate utilization. In this work, we engineered alternative HPG biosynthetic pathways by replacing the native HmO in S. coelicolor by both heterologous oxidases and MdlB dehydrogenases from various sources and confirmed the restoration of calcium-dependent antibiotic biosynthesis by biological and UHPLC-MS analysis. The alternative enzymes were isolated and kinetically characterized, confirming their divergent substrate specificities and catalytic mechanisms. These results demonstrate that heterologous enzymes with different physiological contexts can be used in a Streptomyces host to provide an expanded library of enzymatic reactions for a synthetic biology approach. This study thus broadens the options for the engineering of antibiotic production by using enzymes with different catalytic and structural features.

  15. Mesoporous Bragg reflectors: block-copolymer self-assembly leads to building blocks with well defined continuous pores and high control over optical properties

    KAUST Repository

    Guldin, S.

    2011-08-19

    Mesoporous distributed Bragg re ectors (MDBRs) exhibit porosity on the sub-optical length scale. This makes them ideally suited as sensing platforms in biology and chemistry as well as for light management in optoelectronic devices. Here we present a new fast forward route for the fabrication of MDBRs which relies on the self-assembling properties of the block copolymer poly(isoprene-block -ethylene oxide) (PI-b -PEO) in combination with sol-gel chemistry. The interplay between structure directing organic host and co-assembled inorganic guest allows the ne tuning of refractive index in the outcome material. The refractive index dierence between the high and low porosity layer can be as high as 0.4, with the optical interfaces being well dened. Following a 30 min annealing protocol after each layer deposition enables the fast and reliable stacking of MDBRs which exhibit a continuous TiO2 network with large accessible pores and high optical quality.

  16. Application of Nanodiamonds in Biomolecular Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Ping Cheng

    2010-03-01

    Full Text Available The combination of nanodiamond (ND with biomolecular mass spectrometry (MS makes rapid, sensitive detection of biopolymers from complex biosamples feasible. Due to its chemical inertness, optical transparency and biocompatibility, the advantage of NDs in MS study is unique. Furthermore, functionalization on the surfaces of NDs expands their application in the fields of proteomics and genomics for specific requirements greatly. This review presents methods of MS analysis based on solid phase extraction and elution on NDs and different application examples including peptide, protein, DNA, glycan and others. Owing to the quick development of nanotechnology, surface chemistry, new MS methods and the intense interest in proteomics and genomics, a huge increase of their applications in biomolecular MS analysis in the near future can be predicted.

  17. NMRbox: A Resource for Biomolecular NMR Computation.

    Science.gov (United States)

    Maciejewski, Mark W; Schuyler, Adam D; Gryk, Michael R; Moraru, Ion I; Romero, Pedro R; Ulrich, Eldon L; Eghbalnia, Hamid R; Livny, Miron; Delaglio, Frank; Hoch, Jeffrey C

    2017-04-25

    Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users. Copyright © 2017 Biophysical Society. All rights reserved.

  18. Biomolecular electrostatics and solvation: a computational perspective.

    Science.gov (United States)

    Ren, Pengyu; Chun, Jaehun; Thomas, Dennis G; Schnieders, Michael J; Marucho, Marcelo; Zhang, Jiajing; Baker, Nathan A

    2012-11-01

    An understanding of molecular interactions is essential for insight into biological systems at the molecular scale. Among the various components of molecular interactions, electrostatics are of special importance because of their long-range nature and their influence on polar or charged molecules, including water, aqueous ions, proteins, nucleic acids, carbohydrates, and membrane lipids. In particular, robust models of electrostatic interactions are essential for understanding the solvation properties of biomolecules and the effects of solvation upon biomolecular folding, binding, enzyme catalysis, and dynamics. Electrostatics, therefore, are of central importance to understanding biomolecular structure and modeling interactions within and among biological molecules. This review discusses the solvation of biomolecules with a computational biophysics view toward describing the phenomenon. While our main focus lies on the computational aspect of the models, we provide an overview of the basic elements of biomolecular solvation (e.g. solvent structure, polarization, ion binding, and non-polar behavior) in order to provide a background to understand the different types of solvation models.

  19. Building

    Directory of Open Access Journals (Sweden)

    Ashwani kumar

    2015-08-01

    This paper discusses existing development scenario and issues to accommodate future development in hill towns located in Indian Himalayan region, also highlights the state of existing building regulations through an in-depth study of building regulations in major hill towns, and briefly discuses possible approaches to change existing building regulations for achieving contextually appropriate development.

  20. Polymers with alternating anthracene and phenylene building blocks linked by ethynylene and/or vinylene units: Studying structure-properties-relationships

    Czech Academy of Sciences Publication Activity Database

    Boudiba, S.; Růžička, Aleš; Ulbricht, C.; Enengl, S.; Enengl, C.; Gasiorowski, J.; Yumusak, C.; Pokorná, Veronika; Výprachtický, Drahomír; Hingerl, K.; Zahn, D. R. T.; Tinti, F.; Camaioni, N.; Bouguessa, S.; Gouasmia, A.; Cimrová, Věra; Egbe, D. A. M.

    2017-01-01

    Roč. 55, č. 1 (2017), s. 129-143 ISSN 0887-624X R&D Projects: GA ČR(CZ) GA13-26542S Institutional support: RVO:61389013 Keywords : anthracene building block * charge transport * conjugated polymers Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.952, year: 2016

  1. Synthesis of a selectively protected trisaccharide building block of the capsular polysaccharide of Streptococcus pneumoniae types 6A and 6B

    NARCIS (Netherlands)

    Vliegenthart, J.F.G.; Slaghek, T.M.; Vliet, M.J. van; Maas, A.A.M.; Kamerling, J.P.

    1989-01-01

    4-Methoxybenzyl 2,4-di-O-benzyl-3-O-[2,4,6-tri-O-benzyl-3-O-(3,4,6-tri-O-benzyl-α-D-galactopyranosyl)-α-D- glucopyranosyl]-α-L-rhamnopyranoside (22), a building block for the α-D-Galp-(1->3)-α-D-Glcp-(1->3)-α-L-Rhap fragment of the capsular polysaccharides of Streptococcus pneumoniae types 6A and 6B

  2. A Thieno[3,2-b][1]benzothiophene Isoindigo Building Block for Additive- and Annealing-Free High-Performance Polymer Solar Cells

    KAUST Repository

    Yue, Wan

    2015-08-20

    A novel photoactive polymer with two different molecular weights is reported, based on a new building block: thieno[3,2-b][1]benzothiophene isoindigo. Due to the improved crystallinity, optimal blend morphology, and higher charge mobility, solar-cell devices of the high-molecular-weight polymer exhibit a superior performance, affording efficiencies of 9.1% without the need for additives, annealing, or additional extraction layers during device fabrication.

  3. Building blocks for the development of an interface for high-throughput thin layer chromatography/ambient mass spectrometric analysis: a green methodology.

    Science.gov (United States)

    Cheng, Sy-Chyi; Huang, Min-Zong; Wu, Li-Chieh; Chou, Chih-Chiang; Cheng, Chu-Nian; Jhang, Siou-Sian; Shiea, Jentaie

    2012-07-17

    Interfacing thin layer chromatography (TLC) with ambient mass spectrometry (AMS) has been an important area of analytical chemistry because of its capability to rapidly separate and characterize the chemical compounds. In this study, we have developed a high-throughput TLC-AMS system using building blocks to deal, deliver, and collect the TLC plate through an electrospray-assisted laser desorption ionization (ELDI) source. This is the first demonstration of the use of building blocks to construct and test the TLC-MS interfacing system. With the advantages of being readily available, cheap, reusable, and extremely easy to modify without consuming any material or reagent, the use of building blocks to develop the TLC-AMS interface is undoubtedly a green methodology. The TLC plate delivery system consists of a storage box, plate dealing component, conveyer, light sensor, and plate collecting box. During a TLC-AMS analysis, the TLC plate was sent to the conveyer from a stack of TLC plates placed in the storage box. As the TLC plate passed through the ELDI source, the chemical compounds separated on the plate would be desorbed by laser desorption and subsequently postionized by electrospray ionization. The samples, including a mixture of synthetic dyes and extracts of pharmaceutical drugs, were analyzed to demonstrate the capability of this TLC-ELDI/MS system for high-throughput analysis.

  4. All brains are made of this: a fundamental building block of brain matter with matching neuronal and glial masses.

    Science.gov (United States)

    Mota, Bruno; Herculano-Houzel, Suzana

    2014-01-01

    How does the size of the glial and neuronal cells that compose brain tissue vary across brain structures and species? Our previous studies indicate that average neuronal size is highly variable, while average glial cell size is more constant. Measuring whole cell sizes in vivo, however, is a daunting task. Here we use chi-square minimization of the relationship between measured neuronal and glial cell densities in the cerebral cortex, cerebellum, and rest of brain in 27 mammalian species to model neuronal and glial cell mass, as well as the neuronal mass fraction of the tissue (the fraction of tissue mass composed by neurons). Our model shows that while average neuronal cell mass varies by over 500-fold across brain structures and species, average glial cell mass varies only 1.4-fold. Neuronal mass fraction varies typically between 0.6 and 0.8 in all structures. Remarkably, we show that two fundamental, universal relationships apply across all brain structures and species: (1) the glia/neuron ratio varies with the total neuronal mass in the tissue (which in turn depends on variations in average neuronal cell mass), and (2) the neuronal mass per glial cell, and with it the neuronal mass fraction and neuron/glia mass ratio, varies with average glial cell mass in the tissue. We propose that there is a fundamental building block of brain tissue: the glial mass that accompanies a unit of neuronal mass. We argue that the scaling of this glial mass is a consequence of a universal mechanism whereby numbers of glial cells are added to the neuronal parenchyma during development, irrespective of whether the neurons composing it are large or small, but depending on the average mass of the glial cells being added. We also show how evolutionary variations in neuronal cell mass, glial cell mass and number of neurons suffice to determine the most basic characteristics of brain structures, such as mass, glia/neuron ratio, neuron/glia mass ratio, and cell densities.

  5. An fMRI Study of the Impact of Block Building and Board Games on Spatial Ability.

    Science.gov (United States)

    Newman, Sharlene D; Hansen, Mitchell T; Gutierrez, Arianna

    2016-01-01

    Previous studies have found that block play, board games, and puzzles result in better spatial ability. This study focused on examining the differential impact of structured block play and board games on spatial processing. Two groups of 8-year-old children were studied. One group participated in a five session block play training paradigm and the second group had a similar training protocol but played a word/spelling board game. A mental rotation task was assessed before and after training. The mental rotation task was performed during fMRI to observe the neural changes associated with the two play protocols. Only the block play group showed effects of training for both behavioral measures and fMRI measured brain activation. Behaviorally, the block play group showed improvements in both reaction time and accuracy. Additionally, the block play group showed increased involvement of regions that have been linked to spatial working memory and spatial processing after training. The board game group showed non-significant improvements in mental rotation performance, likely related to practice effects, and no training related brain activation differences. While the current study is preliminary, it does suggest that different "spatial" play activities have differential impacts on spatial processing with structured block play but not board games showing a significant impact on mental rotation performance.

  6. A new method of building permanent A-V block model: ablating his-bundle potential through femoral artery with pre-implanted biventricular pacemaker.

    Science.gov (United States)

    Cheng, Zheng; Hai-ge, Ye; Jin, Li; Wan-chun, Ye; Lu-ping, Wang; Yue-chun, Li; Jia-Feng, Lin

    2014-11-20

    To explore the feasibility of a new method of achieving a permanent A-V block animal model. 16 beagles were randomly divided into two groups based on the method of their pre-implanted biventricular pacemakers. (1) In the first group (8 beagles), the A-V block model was achieved by ablating his-bundle potential at the site of the left ventricular superior-septum, under the aortic sinus, through femoral artery. (2) In the second group (8 beagles), the A-V block model was achieved by ablating his-bundle potential at the triangle of Koch, through femoral vein. A complete A-V block model was achieved as a standard in this study. The success rates, intraoperative arrhythmias, operative and X-ray exposure time, intraoperative bleeding amount were assessed in this two groups, both animal models were followed up for four weeks and then fasted to monitor myocardial pathological changes. The success rate of the first group, which with fewer intraoperative arrhythmias, and less operative and X-ray exposure time, was significantly higher than the second group. Compared with traditional animal method, our new method of ablating his-bundle potential at the left ventricle from the femoral artery has a higher success rate, fewer occurrence of malignant arrhythmias, and less operation and X-ray time. Thus, our new method should be preferred in the building of Permanent A-V Block Model.

  7. Impacts of city-block-scale countermeasures against urban heat-island phenomena upon a building's energy-consumption for air-conditioning

    Energy Technology Data Exchange (ETDEWEB)

    Kikegawa, Yukihiro [Department of Environmental Systems, Meisei University, 2-1-1 Hodokubo, Hino-shi, Tokyo 191-8506 (Japan); Genchi, Yutaka [Research Center for Life Cycle Assessment, National Institute of Advanced Industrial Science and Technology, 16-1 Onogawa, Tsukuba, Ibaraki 305-8569 (Japan); Kondo, Hiroaki [Institute for Environmental Management Technology, National Institute of Advanced Industrial Science and Technology, 16-1 Onogawa, Tsukuba, Ibaraki 305-8569 (Japan); Hanaki, Keisuke [Department of Urban Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

    2006-06-15

    This study quantifies the possible impacts of urban heat-island countermeasures upon buildings' energy use during summer in Tokyo metropolis. Considering the dependency of the buildings air temperature upon the local urban canopy structure, Tokyo urban canopies were classified in the city-block-scale using the sky-view factor (svf). Then, a multi-scale model system describing the interaction between buildings' energy use and urban meteorological conditions was applied to each classified canopy. In terms of urban warming alleviation and cooling energy saving, simulations suggested that the reduction in the air-conditioning anthropogenic heat could be the most effective measure in office buildings' canopies, and that vegetative fraction increase on the side walls of buildings in residential canopies. Both measures indicated daily and spatially averaged decreases in near-ground summer air temperature of 0.2-1.2{sup o}C. The simulations also suggested these temperature decreases could result in the buildings' cooling energy-savings of 4-40%, indicating remarkable savings in residential canopies. These temperature drops and energy savings tended to increase with the decrease of the svf of urban canopies. (author)

  8. A New Universal Second-Order Filter using Configurable Analog Building Blocks (CABs for Filed-Programmable Analogue Arrays

    Directory of Open Access Journals (Sweden)

    M. T. Abuelma'atti

    2011-06-01

    Full Text Available In this paper, the design of a universal second-order filter using configurable analog blocks (CABs for field programmable analog arrays is presented. The configurable blocks are capable of performing integration, differentiation, amplification, log, anti-log, add and negate functions. To maintain high frequency operation, the programmability and configurability of the blocks are achieved by digitally modifying the block's biasing conditions. Using at most four CABs, this article shows that it is possible to design a versatile second-order filter realizing all the standard five filter functions; lowpass, highpass, bandpass, notch and allpass. SPICE simulation results using practical bipolar junction transistor (BJT parameters confirm the feasibility of using the CABs in designing second-order filters.

  9. A 3D printing method for droplet-based biomolecular materials

    Science.gov (United States)

    Challita, Elio J.; Najem, Joseph S.; Freeman, Eric C.; Leo, Donald J.

    2017-04-01

    The field of developing biomolecular droplet-based materials using a bottom-up approach remains underexplored. Producing tissue-like materials, from entirely synthetic components, presents an innovative method to reconstruct the functions of life within artificial materials. Aqueous droplets, encased with lipid monolayers, may be linked via bilayer interfaces to make up structures that resemble biological tissues. Here we present the design and development of an easy-to-build 3D printer for the fabrication of tissue-like biomolecular materials from cell-sized aqueous droplets. The droplets are generated using a snap off technique, capable of generating 30 droplets per minute. The printed network of droplets may also be functionalized with various types of membrane proteins to achieve desired engineering applications like sensing and actuation, or to mimic electrical communication in biological systems. Voltage sensitive channels are introduced into selected droplets to create a conductive path with the material in the presence of an external field.

  10. Scalable Molecular Dynamics for Large Biomolecular Systems

    Directory of Open Access Journals (Sweden)

    Robert K. Brunner

    2000-01-01

    Full Text Available We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecular systems, implemented in the production-quality molecular dynamics program NAMD. With an object-based hybrid force and spatial decomposition scheme, and an aggressive measurement-based predictive load balancing framework, we have attained speeds and speedups that are much higher than any reported in literature so far. The paper first summarizes the broad methodology we are pursuing, and the basic parallelization scheme we used. It then describes the optimizations that were instrumental in increasing performance, and presents performance results on benchmark simulations.

  11. Micro and Nanotechnologies Enhanced Biomolecular Sensing

    Directory of Open Access Journals (Sweden)

    Tza-Huei Wang

    2013-07-01

    Full Text Available This editorial summarizes some of the recent advances of micro and nanotechnology-based tools and devices for biomolecular detection. These include the incorporation of nanomaterials into a sensor surface or directly interfacing with molecular probes to enhance target detection via more rapid and sensitive responses, and the use of self-assembled organic/inorganic nanocomposites that inhibit exceptional spectroscopic properties to enable facile homogenous assays with efficient binding kinetics. Discussions also include some insight into microfluidic principles behind the development of an integrated sample preparation and biosensor platform toward a miniaturized and fully functional system for point of care applications.

  12. Forensic intelligence framework. Part II: Study of the main generic building blocks and challenges through the examples of illicit drugs and false identity documents monitoring.

    Science.gov (United States)

    Baechler, Simon; Morelato, Marie; Ribaux, Olivier; Beavis, Alison; Tahtouh, Mark; Kirkbride, K Paul; Esseiva, Pierre; Margot, Pierre; Roux, Claude

    2015-05-01

    The development of forensic intelligence relies on the expression of suitable models that better represent the contribution of forensic intelligence in relation to the criminal justice system, policing and security. Such models assist in comparing and evaluating methods and new technologies, provide transparency and foster the development of new applications. Interestingly, strong similarities between two separate projects focusing on specific forensic science areas were recently observed. These observations have led to the induction of a general model (Part I) that could guide the use of any forensic science case data in an intelligence perspective. The present article builds upon this general approach by focusing on decisional and organisational issues. The article investigates the comparison process and evaluation system that lay at the heart of the forensic intelligence framework, advocating scientific decision criteria and a structured but flexible and dynamic architecture. These building blocks are crucial and clearly lay within the expertise of forensic scientists. However, it is only part of the problem. Forensic intelligence includes other blocks with their respective interactions, decision points and tensions (e.g. regarding how to guide detection and how to integrate forensic information with other information). Formalising these blocks identifies many questions and potential answers. Addressing these questions is essential for the progress of the discipline. Such a process requires clarifying the role and place of the forensic scientist within the whole process and their relationship to other stakeholders. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

  13. 27 May 2010 - UCLA Chancellor G. Block signing the guest book with Coordinator for External Relations F. Pauss and visiting CMS control centre at building 354 with Collaboration Former Deputy Spokesperson B. Cousins and Deputy Spokesperson J. Incandela.

    CERN Document Server

    Maximilien Brice

    2010-01-01

    27 May 2010 - UCLA Chancellor G. Block signing the guest book with Coordinator for External Relations F. Pauss and visiting CMS control centre at building 354 with Collaboration Former Deputy Spokesperson B. Cousins and Deputy Spokesperson J. Incandela.

  14. Improvements in continuum modeling for biomolecular systems

    Science.gov (United States)

    Yu, Qiao; Ben-Zhuo, Lu

    2016-01-01

    Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the Poisson- Boltzmann (PB)/Poisson-Nernst-Planck (PNP) equations has made great contributions towards simulation of these processes. However, the model has shortcomings in its commonly used form and cannot capture (or cannot accurately capture) some important physical properties of the biological systems. Considerable efforts have been made to improve the continuum model to account for discrete particle interactions and to make progress in numerical methods to provide accurate and efficient simulations. This review will summarize recent main improvements in continuum modeling for biomolecular systems, with focus on the size-modified models, the coupling of the classical density functional theory and the PNP equations, the coupling of polar and nonpolar interactions, and numerical progress. Project supported by the National Natural Science Foundation of China (Grant No. 91230106) and the Chinese Academy of Sciences Program for Cross & Cooperative Team of the Science & Technology Innovation.

  15. Advancing metropolitan planning for operations : the building blocks of a model transportation plan incorporating operations : a desk reference

    Science.gov (United States)

    2010-04-01

    This publication is a resource designed to enable transportation planners and their planning partners to build a transportation plan that includes operations objectives, performance measures, and strategies that are relevant to their region, that ref...

  16. A tribo-mechanical analysis of PVA-based building-blocks for implementation in a 2-layered skin model

    NARCIS (Netherlands)

    Morales Hurtado, Marina; de Vries, Erik G.; Zeng, Xiangqiong; van der Heide, Emile

    2016-01-01

    Poly(vinyl) alcohol hydrogel (PVA) is a well-known polymer widely used in the medical field due to its biocompatibility properties and easy manufacturing. In this work, the tribo-mechanical properties of PVA-based blocks are studied to evaluate their suitability as a part of a structure simulating

  17. Novel biodegradable aliphatic poly(butylene succinate-co-cyclic carbonate)s with functional carbonate building blocks. 1. Chemical synthesis and their structural and physical characterization.

    Science.gov (United States)

    Yang, Jing; Hao, Qinghui; Liu, Xiaoyun; Ba, Chaoyi; Cao, Amin

    2004-01-01

    This study presents chemical synthesis, structural, and physical characterization of novel biodegradable aliphatic poly(butylene succinate-co-cyclic carbonate)s P(BS-co-CC) bearing functional carbonate building blocks. First, five kinds of six-membered cyclic carbonate monomers, namely, trimethylene carbonate (TMC), 1-methyl-1,3-trimethylene carbonate (MTMC), 2,2-dimethyl-1,3-trimethylene carbonate (DMTMC), 5-benzyloxytrimethylene carbonate (BTMC), and 5-ethyl-5-benzyloxymethyl trimethylene carbonate (EBTMC), were well prepared from ethyl chloroformate and corresponding diols at 0 degrees C in THF solution with our modified synthetic strategies. Then, a series of new P(BS-co-CC)s were synthesized at 210 degrees C through a simple combination of poly-condensation and ring-opening-polymerization (ROP) of hydroxyl capped PBS macromers and the prepared carbonate monomers, and titanium tetra-isopropoxide Ti(i-OPr)4 was used as a more suitable catalyst of 5 candidate catalysts which could concurrently catalyze poly-condensation and ROP. By means of NMR, GPC, FTIR, and thermal analytical instruments, macromolecular structures and physical properties have been characterized for these aliphatic poly(ester carbonate)s. The experimental results indicated that novel biodegradable P(BS-co-CC)s were successfully synthesized with number average molecular weight Mn ranging from 24.3 to 99.6 KDa and various CC molar contents without any detectable decarboxylation and that the more bulky side group was attached to a cyclic carbonate monomer, the lower reactivity for its copolymerization would be observed. The occurrences of 13C NMR signal splitting of succinyl carbonyl attributed to the BS building blocks could be proposed due to the randomized sequences of BS and CC building blocks. FTIR characterization indicated two distinct absorption bands at 1716 and 1733 approximately 1735 cm(-1), respectively, stemming from carbonyl stretching modes for corresponding BS and CC units. With

  18. Bidirectional cross metathesis and ring-closing metathesis/ring opening of a C2-symmetric building block: a strategy for the synthesis of decanolide natural products

    Directory of Open Access Journals (Sweden)

    Bernd Schmidt

    2013-11-01

    Full Text Available Starting from the conveniently available ex-chiral pool building block (R,R-hexa-1,5-diene-3,4-diol, the ten-membered ring lactones stagonolide E and curvulide A were synthesized using a bidirectional olefin-metathesis functionalization of the terminal double bonds. Key steps are (i a site-selective cross metathesis, (ii a highly diastereoselective extended tethered RCM to furnish a (Z,E-configured dienyl carboxylic acid and (iii a Ru–lipase-catalyzed dynamic kinetic resolution to establish the desired configuration at C9. Ring closure was accomplished by macrolactonization. Curvulide A was synthesized from stagonolide E through Sharpless epoxidation.

  19. Expedite Protocol for Construction of Chiral Regioselectively N-Protected Monosubstituted Piperazine, 1,4-Diazepane, and 1,4-Diazocane Building Blocks

    DEFF Research Database (Denmark)

    Crestey, François; Witt, Matthias; Jaroszewski, Jerzy W.

    2009-01-01

    This paper describes the first study of solution-phase synthesis of chiral monosubstituted piperazine building blocks from nosylamide-activated aziridines. The protocol, involving aminolysis of the starting aziridines with ω-amino alcohols and subsequent Fukuyama−Mitsunobu cyclization, offers the...... the advantage of mild conditions as well as short reaction times, and it leads to optically pure N-Boc- or N-Ns-protected piperazines. This four-step sequence, requiring only a single final chromatographic purification, was extended to include novel diazepane and diazocane derivatives....

  20. The building blocks of a 'Liveable Neighbourhood': Identifying the key performance indicators for walking of an operational planning policy in Perth, Western Australia.

    Science.gov (United States)

    Hooper, Paula; Knuiman, Matthew; Foster, Sarah; Giles-Corti, Billie

    2015-11-01

    Planning policy makers are requesting clearer guidance on the key design features required to build neighbourhoods that promote active living. Using a backwards stepwise elimination procedure (logistic regression with generalised estimating equations adjusting for demographic characteristics, self-selection factors, stage of construction and scale of development) this study identified specific design features (n=16) from an operational planning policy ("Liveable Neighbourhoods") that showed the strongest associations with walking behaviours (measured using the Neighbourhood Physical Activity Questionnaire). The interacting effects of design features on walking behaviours were also investigated. The urban design features identified were grouped into the "building blocks of a Liveable Neighbourhood", reflecting the scale, importance and sequencing of the design and implementation phases required to create walkable, pedestrian friendly developments. Copyright © 2015 Elsevier Ltd. All rights reserved.

  1. Energy Efficiency and Conservation Block Grant (EECBG) - Better Buildings Neighborhood Program at Greater Cincinnati Energy Alliance: Home Performance with Energy Star® and Better Buildings Performance

    Energy Technology Data Exchange (ETDEWEB)

    Holzhauser, Andy; Jones, Chris; Faust, Jeremy; Meyer, Chris; Van Divender, Lisa

    2013-12-30

    The Greater Cincinnati Energy Alliance (Energy Alliance) is a nonprofit economic development agency dedicated to helping Greater Cincinnati and Northern Kentucky communities reduce energy consumption. The Energy Alliance has launched programs to educate homeowners, commercial property owners, and nonprofit organizations about energy efficiency opportunities they can use to drive energy use reductions and financial savings, while extending significant focus to creating/retaining jobs through these programs. The mission of the Energy Alliance is based on the premise that investment in energy efficiency can lead to transformative economic development in a region. With support from seven municipalities, the Energy Alliance began operation in early 2010 and has been among the fastest growing nonprofit organizations in the Greater Cincinnati/Northern Kentucky area. The Energy Alliance offers two programs endorsed by the Department of Energy: the Home Performance with ENERGY STAR® Program for homeowners and the Better Buildings Performance Program for commercial entities. Both programs couple expert guidance, project management, and education in energy efficiency best practices with incentives and innovative energy efficiency financing to help building owners effectively invest in the energy efficiency, comfort, health, longevity, and environmental impact of their residential or commercial buildings. The Energy Alliance has raised over $23 million of public and private capital to build a robust market for energy efficiency investment. Of the $23 million, $17 million was a direct grant from the Department of Energy Better Buildings Neighborhood Program (BBNP). The organization’s investments in energy efficiency projects in the residential and commercial sector have led to well over $50 million in direct economic activity and created over 375,000 hours of labor created or retained. In addition, over 250 workers have been trained through the Building Performance Training

  2. Converting Biomolecular Modelling Data Based on an XML Representation

    Directory of Open Access Journals (Sweden)

    Sun Yudong

    2008-06-01

    Full Text Available Biomolecular modelling has provided computational simulation based methods for investigating biological processes from quantum chemical to cellular levels. Modelling such microscopic processes requires atomic description of a biological system and conducts in fine timesteps. Consequently the simulations are extremely computationally demanding. To tackle this limitation, different biomolecular models have to be integrated in order to achieve high-performance simulations. The integration of diverse biomolecular models needs to convert molecular data between different data representations of different models. This data conversion is often non-trivial, requires extensive human input and is inevitably error prone. In this paper we present an automated data conversion method for biomolecular simulations between molecular dynamics and quantum mechanics/molecular mechanics models. Our approach is developed around an XML data representation called BioSimML (Biomolecular Simulation Markup Language. BioSimML provides a domain specific data representation for biomolecular modelling which can effciently support data interoperability between different biomolecular simulation models and data formats.

  3. 25 years and still going strong: 2'-O-(pyren-1-yl)methylribonucleotides - versatile building blocks for applications in molecular biology, diagnostics and materials science.

    Science.gov (United States)

    Hrdlicka, Patrick J; Karmakar, Saswata

    2017-11-29

    Oligonucleotides (ONs) modified with 2'-O-(pyren-1-yl)methylribonucleotides have been explored for a range of applications in molecular biology, nucleic acid diagnostics, and materials science for more than 25 years. The first part of this review provides an overview of synthetic strategies toward 2'-O-(pyren-1-yl)methylribonucleotides and is followed by a summary of biophysical properties of nucleic acid duplexes modified with these building blocks. Insights from structural studies are then presented to rationalize the reported properties. In the second part, applications of ONs modified with 2'-O-(pyren-1-yl)methyl-RNA monomers are reviewed, which include detection of RNA targets, discrimination of single nucleotide polymorphisms, formation of self-assembled pyrene arrays on nucleic acid scaffolds, the study of charge transfer phenomena in nucleic acid duplexes, and sequence-unrestricted recognition of double-stranded DNA. The predictable binding mode of the pyrene moiety, coupled with the microenvironment-dependent properties and synthetic feasibility, render 2'-O-(pyren-1-yl)methyl-RNA monomers as a promising class of pyrene-functionalized nucleotide building blocks for new applications in molecular biology, nucleic acid diagnostics, and materials science.

  4. Biomolecular analysis of elastic fibre molecules.

    Science.gov (United States)

    Cain, Stuart A; Raynal, Bertrand; Hodson, Nigel; Shuttleworth, Adrian; Kielty, Cay M

    2008-05-01

    Elastic fibres are macromolecular extracellular matrix assemblies that endow dynamic connective tissues such as arteries, lungs and skin with the property of elastic recoil. Here, we describe how we have purified elastic fibre molecules and then analysed them using a range of biochemical and biomolecular approaches. Such approaches have provided powerful insights into the complex hierarchical processes of extracellular matrix assembly. We outline molecular interaction and kinetics assays using Biacore, biophysical approaches such as multi-angle laser light scattering and analytical ultracentrifugation which provide information on molecular and macromolecular shape and mass in solution, the visualisation of molecules and assemblies using microscopy approaches such as atomic force microscopy and environmental scanning electron microscopy, and compositional analysis of macromolecular complexes using mass spectrometry. Data from these in vitro analytical approaches can be combined to develop powerful new models of elastic fibre assembly.

  5. Micro- and nanodevices integrated with biomolecular probes.

    Science.gov (United States)

    Alapan, Yunus; Icoz, Kutay; Gurkan, Umut A

    2015-12-01

    Understanding how biomolecules, proteins and cells interact with their surroundings and other biological entities has become the fundamental design criterion for most biomedical micro- and nanodevices. Advances in biology, medicine, and nanofabrication technologies complement each other and allow us to engineer new tools based on biomolecules utilized as probes. Engineered micro/nanosystems and biomolecules in nature have remarkably robust compatibility in terms of function, size, and physical properties. This article presents the state of the art in micro- and nanoscale devices designed and fabricated with biomolecular probes as their vital constituents. General design and fabrication concepts are presented and three major platform technologies are highlighted: microcantilevers, micro/nanopillars, and microfluidics. Overview of each technology, typical fabrication details, and application areas are presented by emphasizing significant achievements, current challenges, and future opportunities. Copyright © 2015 Elsevier Inc. All rights reserved.

  6. Biomolecular Markers in Cancer of the Tongue

    Directory of Open Access Journals (Sweden)

    Daris Ferrari

    2009-01-01

    Full Text Available The incidence of tongue cancer is increasing worldwide, and its aggressiveness remains high regardless of treatment. Genetic changes and the expression of abnormal proteins have been frequently reported in the case of head and neck cancers, but the little information that has been published concerning tongue tumours is often contradictory. This review will concentrate on the immunohistochemical expression of biomolecular markers and their relationships with clinical behaviour and prognosis. Most of these proteins are associated with nodal stage, tumour progression and metastases, but there is still controversy concerning their impact on disease-free and overall survival, and treatment response. More extensive clinical studies are needed to identify the patterns of molecular alterations and the most reliable predictors in order to develop tailored anti-tumour strategies based on the targeting of hypoxia markers, vascular and lymphangiogenic factors, epidermal growth factor receptors, intracytoplasmatic signalling and apoptosis.

  7. Constraining the Dynamical Formation and the Size of the Primordial Building Blocks for Comet 67P/Churyumov-Gerasimenko Using the CONSERT Observations

    Science.gov (United States)

    Heggy, E.; Palmer, E. M.; Kofman, W. W.; Herique, A.; El Maarry, M. R.

    2017-12-01

    Rosetta's two-year orbital mission at comet 67P/Churyumov-Gerasimenko significantly improved our understanding of the Radar properties of cometary bodies and how they can be used to constrain the ambiguities associated to the dynamical formation of 67P by setting an upper limit on the size of the comet's initial building blocks using the CONSERT, VIRTIS and OSIRIS observations. We present here in an updated post-rendezvous three-dimensional dielectric, textural and structural model of the comet's surface and subsurface at VHF-, X- and S-band radar frequencies. We assess the radar properties of potential structural heterogeneities observed in the upper meters of the shallow subsurface as well as deeper structures across the comet head. We use CONSERT's bistatic radar sounding measurements of the nucleus `head' interior to constrain the dielectric properties and structure of the interior; VIRTIS' multi-spectral observations to constrain the surface mineralogy and the distribution of water-ice on the surface and the implications of the above on the spatial variability of the surface and shallow subsurface dielectric properties. Surface and shallow subsurface structural elements are derived from the OSIRIS' images of exposed outcrops and pit walls. Our dielectric analysis showing the lack of sufficient dielectric contrast correlated with the lack of signal broadening in the 90-MHz radar echoes observed by CONSERT suggests that the the apparent meter-sized inhomogeneities in the walls of deep pits originally interpreted as cometesimals forming the comet's primordial blocks, could be localized evolutionary features of high centered polygons caused by seasonal modifications to the near-subsurface ice formed through thermal expansion and contraction and may not be continuous through the head. Considering the three-dimensional dielectric variability of 67P as derived from CONSERT, VIRTIS, Arecibo observations and laboratory measurement we set an upper limit on the size of

  8. Modeling, Analysis, Simulation, and Synthesis of Biomolecular Networks

    National Research Council Canada - National Science Library

    Ruben, Harvey; Kumar, Vijay; Sokolsky, Oleg

    2006-01-01

    ...) a first example of reachability analysis applied to a biomolecular system (lactose induction), 4) a model of tetracycline resistance that discriminates between two possible mechanisms for tetracycline diffusion through the cell membrane, and 5...

  9. 1997 HIMSS/Hewlett-Packard leadership survey results. Survey results highlight infrastructure--the building block approach to IT strategy.

    Science.gov (United States)

    Elliott, J

    1997-04-01

    "Infrastructure" is the buzzword that emerged from the 1997 HIMSS/Hewlett-Packard Leadership Survey. Of the 1,220 survey respondents, 37 percent identified upgrading infrastructure as the most significant IT projects their organizations undertook over the last year. "In the past, organizations were not deliberately against building infrastructure; they just did not know what it takes," says researcher and survey analyst John Pollock, Princeton, N.J. "It is evident now they are looking more at the framework." Increasing pressure to achieve a competitive advantage has led to a real interest in integrating healthcare delivery systems, he explains.

  10. Bainbridge Energy Challenge. Energy efficiency and conservation block grant (EECBG) - Better buildings neighborhood program. Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, Yvonne X.

    2014-02-14

    RePower Bainbridge and Bremerton (RePower) is a residential energy-efficiency and conservation program designed to foster a sustainable, clean, and renewable energy economy. The program was a 3.5 year effort in the cities of Bainbridge Island and Bremerton, Washington, to conserve and reduce energy use, establish a trained home performance trade ally network, and create local jobs. RePower was funded through a $4.8 million grant from the US Department of Energy, Better Buildings Program. The grant’s performance period was August 1, 2010 through March 30, 2014.

  11. Multiscale Persistent Functions for Biomolecular Structure Characterization

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Kelin [Nanyang Technological University (Singapore). Division of Mathematical Sciences, School of Physical, Mathematical Sciences and School of Biological Sciences; Li, Zhiming [Central China Normal University, Wuhan (China). Key Laboratory of Quark and Lepton Physics (MOE) and Institute of Particle Physics; Mu, Lin [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Computer Science and Mathematics Division

    2017-11-02

    Here in this paper, we introduce multiscale persistent functions for biomolecular structure characterization. The essential idea is to combine our multiscale rigidity functions (MRFs) with persistent homology analysis, so as to construct a series of multiscale persistent functions, particularly multiscale persistent entropies, for structure characterization. To clarify the fundamental idea of our method, the multiscale persistent entropy (MPE) model is discussed in great detail. Mathematically, unlike the previous persistent entropy (Chintakunta et al. in Pattern Recognit 48(2):391–401, 2015; Merelli et al. in Entropy 17(10):6872–6892, 2015; Rucco et al. in: Proceedings of ECCS 2014, Springer, pp 117–128, 2016), a special resolution parameter is incorporated into our model. Various scales can be achieved by tuning its value. Physically, our MPE can be used in conformational entropy evaluation. More specifically, it is found that our method incorporates in it a natural classification scheme. This is achieved through a density filtration of an MRF built from angular distributions. To further validate our model, a systematical comparison with the traditional entropy evaluation model is done. Additionally, it is found that our model is able to preserve the intrinsic topological features of biomolecular data much better than traditional approaches, particularly for resolutions in the intermediate range. Moreover, by comparing with traditional entropies from various grid sizes, bond angle-based methods and a persistent homology-based support vector machine method (Cang et al. in Mol Based Math Biol 3:140–162, 2015), we find that our MPE method gives the best results in terms of average true positive rate in a classic protein structure classification test. More interestingly, all-alpha and all-beta protein classes can be clearly separated from each other with zero error only in our model. Finally, a special protein structure index (PSI) is proposed, for the first

  12. Are trinuclear superhalogens promising candidates for building blocks of novel magnetic materials? A theoretical prospect from combined broken-symmetry density functional theory and ab initio study.

    Science.gov (United States)

    Yu, Yang; Li, Chen; Yin, Bing; Li, Jian-Li; Huang, Yuan-He; Wen, Zhen-Yi; Jiang, Zhen-Yi

    2013-08-07

    The structures, relative stabilities, vertical electron detachment energies, and magnetic properties of a series of trinuclear clusters are explored via combined broken-symmetry density functional theory and ab initio study. Several exchange-correlation functionals are utilized to investigate the effects of different halogen elements and central atoms on the properties of the clusters. These clusters are shown to possess stronger superhalogen properties than previously reported dinuclear superhalogens. The calculated exchange coupling constants indicate the antiferromagnetic coupling between the transition metal ions. Spin density analysis demonstrates the importance of spin delocalization in determining the strengths of various couplings. Spin frustration is shown to occur in some of the trinuclear superhalogens. The coexistence of strong superhalogen properties and spin frustration implies the possibility of trinuclear superhalogens working as the building block of new materials of novel magnetic properties.

  13. Le glycérol « building blocks » majeur de la bioraffinerie oléagineuse

    Directory of Open Access Journals (Sweden)

    Vandeputte Jacky

    2012-01-01

    Full Text Available Biodiesel production increases, and each ton of biodiésel produced leads to about 100 kg of glycerol. Because of increasing amount of generated glycerol, but also according to environmental concerns and scarcity of oil, glycerol is considered as one of the top 10 building block chemicals derived from biomass that can subsequently be converted into a number of high value biobased chemicals. Besides the well established sell of purified glycerine to manufacturers of cosmetics and pharmaceuticals, a variety of novel conversion techniques are introduced. This paper provides an overview of the latest biobased compounds produced from glycerol’s conversion, and of the lower environmental impact of these new ways of production.

  14. Bidirectional Synthesis of 6-Acetoxy-5-hexadecanolide, the Mosquito Oviposition Pheromone of Culex quinquefasciatus, from a C2-Symmetric Building Block Using Olefin Metathesis Reactions.

    Science.gov (United States)

    Schmidt, Bernd; Petersen, Monib H; Braun, Diana

    2018-02-02

    (5R,6S)-6-Acetoxy-5-hexadecanolide (MOP) is the oviposition pheromone of the mosquito Cx. quinquefasciatus, a vector of pathogens causing a variety of tropical diseases. We describe and evaluate herein three syntheses of MOP starting from mannitol-derived (3R,4R)-hexa-1,5-diene-3,4-diol. This C 2 -symmetric building block is elaborated through bidirectional olefin metathesis reactions into 6-epi-MOP, which was converted into MOP via Mitsunobu inversion. The shortest of the three routes makes use of two sequential cross-metathesis reactions and an assisted tandem catalytic olefin reduction, induced by an in situ conversion of a Ru-carbene to a Ru-hydride.

  15. Bottom-up processing of thermoelectric nanocomposites from colloidal nanocrystal building blocks: the case of Ag{sub 2}Te-PbTe

    Energy Technology Data Exchange (ETDEWEB)

    Cadavid, Doris [Catalonia Institute for Energy Research, IREC (Spain); Ibanez, Maria [Universitat de Barcelona, Departament d' Electronica (Spain); Gorsse, Stephane [Universite de Bordeaux, ICMCB, CNRS (France); Lopez, Antonio M. [Universitat Politecnica de Catalunya, Departament d' Enginyeria Electronica (Spain); Cirera, Albert [Universitat de Barcelona, Departament d' Electronica (Spain); Morante, Joan Ramon; Cabot, Andreu, E-mail: acabot@irec.cat [Catalonia Institute for Energy Research, IREC (Spain)

    2012-12-15

    Nanocomposites are highly promising materials to enhance the efficiency of current thermoelectric devices. A straightforward and at the same time highly versatile and controllable approach to produce nanocomposites is the assembly of solution-processed nanocrystal building blocks. The convenience of this bottom-up approach to produce nanocomposites with homogeneous phase distributions and adjustable composition is demonstrated here by blending Ag{sub 2}Te and PbTe colloidal nanocrystals to form Ag{sub 2}Te-PbTe bulk nanocomposites. The thermoelectric properties of these nanocomposites are analyzed in the temperature range from 300 to 700 K. The evolution of their electrical conductivity and Seebeck coefficient is discussed in terms of the blend composition and the characteristics of the constituent materials.

  16. Proposed and existing passive and inherent safety-related structures, systems, and components (building blocks) for advanced light-water reactors

    Energy Technology Data Exchange (ETDEWEB)

    Forsberg, C.W.; Moses, D.L.; Lewis, E.B.; Gibson, R.; Pearson, R.; Reich, W.J.; Murphy, G.A.; Staunton, R.H.; Kohn, W.E.

    1989-10-01

    A nuclear power plant is composed of many structures, systems, and components (SSCs). Examples include emergency core cooling systems, feedwater systems, and electrical systems. The design of a reactor consists of combining various SSCs (building blocks) into an integrated plant design. A new reactor design is the result of combining old SSCs in new ways or use of new SSCs. This report identifies, describes, and characterizes SSCs with passive and inherent features that can be used to assure safety in light-water reactors. Existing, proposed, and speculative technologies are described. The following approaches were used to identify the technologies: world technical literature searches, world patent searches, and discussions with universities, national laboratories and industrial vendors. 214 refs., 105 figs., 26 tabs.

  17. Proposed and existing passive and inherent safety-related structures, systems, and components (building blocks) for advanced light-water reactors

    International Nuclear Information System (INIS)

    Forsberg, C.W.; Moses, D.L.; Lewis, E.B.; Gibson, R.; Pearson, R.; Reich, W.J.; Murphy, G.A.; Staunton, R.H.; Kohn, W.E.

    1989-10-01

    A nuclear power plant is composed of many structures, systems, and components (SSCs). Examples include emergency core cooling systems, feedwater systems, and electrical systems. The design of a reactor consists of combining various SSCs (building blocks) into an integrated plant design. A new reactor design is the result of combining old SSCs in new ways or use of new SSCs. This report identifies, describes, and characterizes SSCs with passive and inherent features that can be used to assure safety in light-water reactors. Existing, proposed, and speculative technologies are described. The following approaches were used to identify the technologies: world technical literature searches, world patent searches, and discussions with universities, national laboratories and industrial vendors. 214 refs., 105 figs., 26 tabs

  18. Switching slips. Building blocks for a robust environmental policy for the 21st century; Wissels omzetten. Bouwstenen voor een robuust milieubeleid voor de 21e eeuw

    Energy Technology Data Exchange (ETDEWEB)

    Hoogervorst, N.; Hajer, M.; Dietz, F.; Timmerhuis, J.; Kruitwagen, S.

    2013-06-15

    With this 'signal report', PBL (Netherlands Environmental Assessment Agency) offers building blocks for a robust environmental policy for the twentyfirst century, such as changes in consumer behavior, new coalitions of interests and stakeholders, and the establishment of an investment fund for eco-innovation. Which track does the Netherlands want to follow? With this essay, PBL is calling for a broad public debate on this issue [Dutch] In dit signalenrapport reikt het PBL (Planbureau voor de Leefomgeving) bouwstenen aan voor een robuust milieubeleid voor de eenentwintigste eeuw, zoals gedragsverandering van consumenten, nieuwe coalities van belangen en betrokkenen, en de oprichting van een investeringsfonds voor eco-innovatie. Welk spoor wil Nederland bewandelen? Met dit essay roept het PBL op tot een breed maatschappelijk debat over deze vraag.

  19. Coordination and control inside simple biomolecular machines.

    Science.gov (United States)

    Yu, Jin

    2014-01-01

    Biomolecular machines can achieve physiological functions precisely and efficiently, though they always operate under fluctuations and noises. We review two types of simple machinery that we have recently studied. The machinery can be regarded as molecular motors. They transform chemical free energy from NTP hydrolysis to mechanical work. One type belongs to small monomeric helicases that move directionally along single-stranded nucleic acid, and may further unwind the duplex part for gene replication or repair. The other type belongs to ring-shaped NTPase motors that also move or transport nucleic acid or protein substrate in a directional manner, such as for genome packaging or protein degradation. The central issue in this review is on how the machinery coordinates essential degrees of freedom during the mechanochemical coupling process. Further concerns include how the coordination and control are manifested in experiments, and how they can be captured well in modeling and computational research. We employed atomistic molecular dynamics simulations, coarse-grained analyses, and stochastic modeling techniques to examine the molecular machines at multiple resolutions and timescales. Detailed descriptions on how the protein interacts with its substrate at interface, as well as how multiple protein subunits are coordinated are summarized.

  20. Spectroscopy of mobility-selected biomolecular ions.

    Science.gov (United States)

    Papadopoulos, Georgios; Svendsen, Annette; Boyarkin, Oleg V; Rizzo, Thomas R

    2011-01-01

    We describe here experiments that combine differential ion mobility, which separates conformational isomers of biomolecular ions, with electronic spectroscopy in a cold, radio-frequency ion trap. Although the low temperature attainable in a cold ion trap greatly simplifies the electronic spectra of large molecules, conformational heterogeneity can still be a significant source of congestion, complicating spectroscopic analysis. We demonstrate here that using differential ion mobility to separate gas-phase peptide conformers before injecting them into a cold ion trap allows one to decompose a dense spectrum into contributions from different conformational families. In the inverse sense, cold ion spectroscopy can be used as a conformation-specific detector for ion mobility, allowing one to separate an unresolved peak into contributions from different conformational families. The doubly protonated peptide bradykinin serves as a good test case for the marriage of these two techniques as it exhibits a considerable degree of conformational heterogeneity that results in a highly congested electronic spectrum. Our results demonstrate the feasibility and advantages of directly coupling ion mobility with spectroscopy and provide a diagnostic of conformational isomerization of this peptide after being produced in the gas phase by electrospray.

  1. A multiscale modeling approach for biomolecular systems

    Energy Technology Data Exchange (ETDEWEB)

    Bowling, Alan, E-mail: bowling@uta.edu; Haghshenas-Jaryani, Mahdi, E-mail: mahdi.haghshenasjaryani@mavs.uta.edu [The University of Texas at Arlington, Department of Mechanical and Aerospace Engineering (United States)

    2015-04-15

    This paper presents a new multiscale molecular dynamic model for investigating the effects of external interactions, such as contact and impact, during stepping and docking of motor proteins and other biomolecular systems. The model retains the mass properties ensuring that the result satisfies Newton’s second law. This idea is presented using a simple particle model to facilitate discussion of the rigid body model; however, the particle model does provide insights into particle dynamics at the nanoscale. The resulting three-dimensional model predicts a significant decrease in the effect of the random forces associated with Brownian motion. This conclusion runs contrary to the widely accepted notion that the motor protein’s movements are primarily the result of thermal effects. This work focuses on the mechanical aspects of protein locomotion; the effect ATP hydrolysis is estimated as internal forces acting on the mechanical model. In addition, the proposed model can be numerically integrated in a reasonable amount of time. Herein, the differences between the motion predicted by the old and new modeling approaches are compared using a simplified model of myosin V.

  2. SIOS: A regional cooperation of international research infrastructures as a building block for an Arctic observing system

    Science.gov (United States)

    Holmen, K. J.; Lønne, O. J.

    2016-12-01

    The Svalbard Integrated Earth Observing System (SIOS) is a regional response to the Earth System Science (ESS) challenges posed by the Amsterdam Declaration on Global Change. SIOS is intended to develop and implement methods for how observational networks in the Arctic are to be designed in order to address such issues in a regional scale. SIOS builds on the extensive observation capacity and research installations already in place by many international institutions and will provide upgraded and relevant Observing Systems and Research Facilities of world class in and around Svalbard. It is a distributed research infrastructure set up to provide a regional observational system for long term measurements under a joint framework. As one of the large scale research infrastructure initiatives on the ESFRI roadmap (European Strategy Forum on Research Infrastructures), SIOS is now being implemented. The new research infrastructure organization, the SIOS Knowledge Center (SIOS-KC), is instrumental in developing methods and solutions for setting up its regional contribution to a systematically constructed Arctic observational network useful for global change studies. We will discuss cross-disciplinary research experiences some case studies and lessons learned so far. SIOS aims to provide an effective, easily accessible data management system which makes use of existing data handling systems in the thematic fields covered by SIOS. SIOS will, implement a data policy which matches the ambitions that are set for the new European research infrastructures, but at the same time be flexible enough to consider `historical' legacies. Given the substantial international presence in the Svalbard archipelago and the pan-Arctic nature of the issue, there is an opportunity to build SIOS further into a wider regional network and pan-Arctic context, ideally under the umbrella of the Sustaining Arctic Observing Networks (SAON) initiative. It is necessary to anchor SIOS strongly in a European

  3. XOP, a fast versatile processor, as a building block for parallel processing in high energy physics experiments

    International Nuclear Information System (INIS)

    Baehler, P.; Bosco, N.; Lingjaerde, T.; Ljuslin, C.; Van Praag, A.; Werner, P.

    1986-01-01

    The XOP processor has been designed for trigger calculation and data compression in high energy physics experiments. Therefore, emphasis has been placed upon fast execution and high input/output rate. The fast execution is achieved by a wide instruction word holding operations which are executed concurrently. Thus, the arithmetic operations, data address calculations, data accessing, condition checking, loop count checking and next instruction evaluation all overlap in time. In conventional micro-processors these operations are performed sequentially. In addition, the instruction set comprises not only the classical computer instructions, but also specialized instructions suitable for trigger calculations, such as bit search, population count, loose compare and vector instructions. In order to achieve a high input/output rate, each XOP ECLine interface board is equipped with an input and an output port which fulfil the LeCroy ECLine specifications. The autonomous input port allows a data rate of 40 Mbytes/sec, while the program controlled output port allows 20 Mbytes/sec. For Fastbus based systems a dual Fastbus master interface is under design which allows to build up a Fastbus multi-processor system. This design is being done in collaboration with LAPP Annecy for the CERN Lep L3 experiment. Their scheme comprises 4-5 XOP processors, each of them with a master interface on a data input segment and a master interface on a data output segment. This paper describes the structure of the XOP processor, the interface capabilities and the software development and debugging tools. (Auth.)

  4. Participatory Approach to Long-Term Socio-Economic Scenarios as Building Block of a Local Vulnerability and Risk Assessment Tool - The Case Study Lienz (East-Tyrol)

    Science.gov (United States)

    Meyer, Ina; Eder, Brigitte; Hama, Michiko; Leitner, Markus

    2016-04-01

    Risks associated with climate change are mostly still understood and analyzed in a sector- or hazard-specific and rarely in a systemic, dynamic and scenario-based manner. In addition, socio-economic trends are often neglected in local vulnerability and risk assessments although they represent potential key determinants of risk and vulnerability. The project ARISE (Adaptation and Decision Support via Risk Management Through Local Burning Embers) aims at filling this gap by applying a participatory approach to socio-economic scenario building as building block of a local vulnerability assessment and risk management tool. Overall, ARISE aims at developing a decision support system for climate-sensitive iterative risk management as a key adaptation tool for the local level using Lienz in the East-Tyrol as a test-site City. One central building block is participatory socio-economic scenario building that - together with regionalized climate change scenarios - form a centrepiece in the process-oriented assessment of climate change risks and vulnerability. Major vulnerabilities and risks may stem from the economic performance, the socio-economic or socio-demographic developments or changes in asset exposition and not from climate change impacts themselves. The IPCC 5th assessment report underlines this and states that for most economic sectors, the impact of climate change may be small relative to the impacts of other driving forces such as changes in population growth, age, income, technology, relative prices, lifestyle, regulation, governance and many other factors in the socio-economy (Arent et al., 2014). The paper presents the methodology, process and results with respect to the building of long-term local socio-economic scenarios for the City of Lienz and the surrounding countryside. Scenarios were developed in a participatory approach using a scenario workshop that involved major stakeholders from the region. Participatory approaches are increasingly recognized as

  5. CMOL/CMOS hardware architectures and performance/price for Bayesian memory - The building block of intelligent systems

    Science.gov (United States)

    Zaveri, Mazad Shaheriar

    implementation. We later use this methodology to investigate the hardware implementations of cortex-scale spiking neural system, which is an approximate neural equivalent of BICM based cortex-scale system. The results of this investigation also suggest that CMOL is a promising candidate to implement such large-scale neuromorphic systems. In general, the assessment of such hypothetical baseline hardware architectures provides the prospects for building large-scale (mammalian cortex-scale) implementations of neuromorphic/Bayesian/intelligent systems using state-of-the-art and beyond state-of-the-art silicon structures.

  6. Biomolecular Modification of Inorganic Crystal Growth

    Energy Technology Data Exchange (ETDEWEB)

    De Yoreo, J J

    2007-04-27

    The fascinating shapes and hierarchical designs of biomineralized structures are an inspiration to materials scientists because of the potential they suggest for biomolecular control over materials synthesis. Conversely, the failure to prevent or limit tissue mineralization in the vascular, skeletal, and urinary systems is a common source of disease. Understanding the mechanisms by which organisms direct or limit crystallization has long been a central challenge to the biomineralization community. One prevailing view is that mineral-associated macromolecules are responsible for either inhibiting crystallization or initiating and stabilizing non-equilibrium crystal polymorphs and morphologies through interactions between anionic moieties and cations in solution or at mineralizing surfaces. In particular, biomolecules that present carboxyl groups to the growing crystal have been implicated as primary modulators of growth. Here we review the results from a combination of in situ atomic force microscopy (AFM) and molecular modeling (MM) studies to investigate the effect of specific interactions between carboxylate-rich biomolecules and atomic steps on crystal surfaces during the growth of carbonates, oxalates and phosphates of calcium. Specifically, we how the growth kinetics and morphology depend on the concentration of additives that include citrate, simple amino acids, synthetic Asp-rich polypeptides, and naturally occurring Asp-rich proteins found in both functional and pathological mineral tissues. The results reveal a consistent picture of shape modification in which stereochemical matching of modifiers to specific atomic steps drives shape modification. Inhibition and other changes in growth kinetics are shown to be due to a range of mechanisms that depend on chemistry and molecular size. Some effects are well described by classic crystal growth theories, but others, such as step acceleration due to peptide charge and hydrophylicity, were previously unrealized

  7. Microfluidic Devices for Studying Biomolecular Interactions

    Science.gov (United States)

    Wilson, Wilbur W.; Garcia, Carlos d.; Henry, Charles S.

    2006-01-01

    Microfluidic devices for monitoring biomolecular interactions have been invented. These devices are basically highly miniaturized liquid-chromatography columns. They are intended to be prototypes of miniature analytical devices of the laboratory on a chip type that could be fabricated rapidly and inexpensively and that, because of their small sizes, would yield analytical results from very small amounts of expensive analytes (typically, proteins). Other advantages to be gained by this scaling down of liquid-chromatography columns may include increases in resolution and speed, decreases in the consumption of reagents, and the possibility of performing multiple simultaneous and highly integrated analyses by use of multiple devices of this type, each possibly containing multiple parallel analytical microchannels. The principle of operation is the same as that of a macroscopic liquid-chromatography column: The column is a channel packed with particles, upon which are immobilized molecules of the protein of interest (or one of the proteins of interest if there are more than one). Starting at a known time, a solution or suspension containing molecules of the protein or other substance of interest is pumped into the channel at its inlet. The liquid emerging from the outlet of the channel is monitored to detect the molecules of the dissolved or suspended substance(s). The time that it takes these molecules to flow from the inlet to the outlet is a measure of the degree of interaction between the immobilized and the dissolved or suspended molecules. Depending on the precise natures of the molecules, this measure can be used for diverse purposes: examples include screening for solution conditions that favor crystallization of proteins, screening for interactions between drugs and proteins, and determining the functions of biomolecules.

  8. Spectroscopic and Magnetic Properties of a Series of mu-Cyano Bridged Bimetallic Compounds of the Type M-II-NC-Fe-III (M = Mn, Co, and Zn) Using the Building Block [Fe-III(CN)(5)imidazole](2-)

    NARCIS (Netherlands)

    Tchouka, Heloise; Meetsma, Auke; Browne, Wesley R.

    2010-01-01

    In this contribution, we describe the preparation and single-crystal X-ray diffraction of a new building block for bimetallic solid state materials. X-ray diffraction data of these complexes indicate that (PPh4)(2)[Fe(CN)(5)imidazole]center dot 2H(2)O crystallizes in the triclinic space group P (1)

  9. Crystal engineered acid–base complexes with 2D and 3D hydrogen bonding systems using p-hydroxybenzoic acid as the building block

    Directory of Open Access Journals (Sweden)

    PU SU ZHAO

    2010-04-01

    Full Text Available p-Hydroxybenzoic acid (p-HOBA was selected as the building block for self-assembly with five bases, i.e., diethylamine, tert-butylamine, cyclohexylamine, imidazole and piperazine, and generation of the corresponding acid–base complexes 1–5. Crystal structure analyses suggest that proton-transfer from the carboxyl hydrogen to the nitrogen atom of the bases can be observed in 1–4, while only in 5 does a solvent water molecule co-exist with p--HOBA and piperazine. With the presence of O–H···O hydrogen bonds in 1–4, the deprotonated p-hydroxybenzoate anions (p-HOBAA– are simply connected each other in a head-to-tail motif to form one-dimensional (1D arrays, which are further extended to distinct two-dimensional (2D (for 1 and 4 and three-dimensional (3D (for 2 and 3 networks via N–H···O interactions. While in 5, neutral acid and base are combined pair-wise by O–H···N and N–H···O bonds to form a 1D tape and then the 1D tapes are sequentially combined by water molecules to create a 3D network. Some interlayer or intralayer C–H···O, C–H···p and p×××p interactions help to stabilize the supramolecular buildings. Melting point determination analyses indicate that the five acid–base complexes are not the ordinary superposition of the reactants and they are more stable than the original reactants.

  10. Laser photodissociation and spectroscopy of mass-separated biomolecular ions

    CERN Document Server

    Polfer, Nicolas C

    2014-01-01

    This lecture notes book presents how enhanced structural information of biomolecular ions can be obtained from interaction with photons of specific frequency - laser light. The methods described in the book ""Laser photodissociation and spectroscopy of mass-separated biomolecular ions"" make use of the fact that the discrete energy and fast time scale of photoexcitation can provide more control in ion activation. This activation is the crucial process producing structure-informative product ions that cannot be generated with more conventional heating methods, such as collisional activation. Th

  11. Ultrasensitive electrochemical biomolecular detection using nanostructured microelectrodes.

    Science.gov (United States)

    Sage, Andrew T; Besant, Justin D; Lam, Brian; Sargent, Edward H; Kelley, Shana O

    2014-08-19

    Electrochemical sensors have the potential to achieve sensitive, specific, and low-cost detection of biomolecules--a capability that is ever more relevant to the diagnosis and monitored treatment of disease. The development of devices for clinical diagnostics based on electrochemical detection could provide a powerful solution for the routine use of biomarkers in patient treatment and monitoring and may overcome the many issues created by current methods, including the long sample-to-answer times, high cost, and limited prospects for lab-free use of traditional polymerase chain reaction, microarrays, and gene-sequencing technologies. In this Account, we summarize the advances in electrochemical biomolecular detection, focusing on a new and integrated platform that exploits the bottom-up fabrication of multiplexed electrochemical sensors composed of electrodeposited noble metals. We trace the evolution of these sensors from gold nanoelectrode ensembles to nanostructured microelectrodes (NMEs) and discuss the effects of surface morphology and size on assay performance. The development of a novel electrocatalytic assay based on Ru(3+) adsorption and Fe(3+) amplification at the electrode surface as a means to enable ultrasensitive analyte detection is discussed. Electrochemical measurements of changes in hybridization events at the electrode surface are performed using a simple potentiostat, which enables integration into a portable, cost-effective device. We summarize the strategies for proximal sample processing and detection in addition to those that enable high degrees of sensor multiplexing capable of measuring 100 different analytes on a single chip. By evaluating the cost and performance of various sensor substrates, we explore the development of practical lab-on-a-chip prototype devices. By functionalizing the NMEs with capture probes specific to nucleic acid, small molecule, and protein targets, we can successfully detect a wide variety of analytes at

  12. CYP703 is an ancient cytochrome P450 in land plants catalyzing in-chain hydroxylation of lauric acid to provide building blocks for sporopollenin synthesis in pollen.

    Science.gov (United States)

    Morant, Marc; Jørgensen, Kirsten; Schaller, Hubert; Pinot, Franck; Møller, Birger Lindberg; Werck-Reichhart, Danièle; Bak, Søren

    2007-05-01

    CYP703 is a cytochrome P450 family specific to land plants. Typically, each plant species contains a single CYP703. Arabidopsis thaliana CYP703A2 is expressed in the anthers of developing flowers. Expression is initiated at the tetrad stage and restricted to microspores and to the tapetum cell layer. Arabidopsis CYP703A2 knockout lines showed impaired pollen development and a partial male-sterile phenotype. Scanning electron and transmission electron microscopy of pollen from the knockout plants showed impaired pollen wall development with absence of exine. The fluorescent layer around the pollen grains ascribed to the presence of phenylpropanoid units in sporopollenin was absent in the CYP703A2 knockout lines. Heterologous expression of CYP703A2 in yeast cells demonstrated that CYP703 catalyzes the conversion of medium-chain saturated fatty acids to the corresponding monohydroxylated fatty acids, with a preferential hydroxylation of lauric acid at the C-7 position. Incubation of recombinant CYP703 with methanol extracts from developing flowers confirmed that lauric acid and in-chain hydroxy lauric acids are the in planta substrate and product, respectively. These data demonstrate that in-chain hydroxy lauric acids are essential building blocks in sporopollenin synthesis and enable the formation of ester and ether linkages with phenylpropanoid units. This study identifies CYP703 as a P450 family specifically involved in pollen development.

  13. Pineapple and banana pectins comprise fewer homogalacturonan building blocks with a smaller degree of polymerization as compared with yellow passion fruit and lemon pectins: implication for gelling properties.

    Science.gov (United States)

    Yapo, Beda M

    2009-04-13

    Pectins are viewed as multiblock cobiopolymers of different pectic polysaccharides, notably, homogalacturonan (HG) and rhamnogalacturonan I (RG I). Furthermore, on the basis of HGs isolated from different (pectins from) dicot cell walls, HG is supposed to have an average degree of polymerization (DP) of approximately 100 irrespective of the plant source. To validate or invalidate these suppositions, pectins from both monocot (pineapple and banana) and dicot (yellow passion fruit and lemon) cell walls were examined. The results show that all the extracted pectins comprise HGs as well as type I and II arabinogalactan side chain-containing RGs I, but of significantly (p lemon pectin being the richest in HGs, followed by yellow passion fruit pectin. The HG building blocks of each pectin are homogeneous with respect to the molecular size but have a significantly (p Lemon pectin displayed the highest degree of esterification (DE), viscosity-average molecular weight (M(v)), and gelling ability, whereas with similar DEs and a higher M(v), banana pectin exhibited a lower gelling ability than yellow passion fruit pectin. It is concluded that both the HG amount and DP strongly influence the gelling properties of pectin.

  14. Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments.

    Science.gov (United States)

    Šponer, Judit E; Szabla, Rafał; Góra, Robert W; Saitta, A Marco; Pietrucci, Fabio; Saija, Franz; Di Mauro, Ernesto; Saladino, Raffaele; Ferus, Martin; Civiš, Svatopluk; Šponer, Jiří

    2016-07-27

    The origin of life on Earth is one of the most fascinating questions of contemporary science. Extensive research in the past decades furnished diverse experimental proposals for the emergence of first informational polymers that could form the basis of the early terrestrial life. Side by side with the experiments, the fast development of modern computational chemistry methods during the last 20 years facilitated the use of in silico modelling tools to complement the experiments. Modern computations can provide unique atomic-level insights into the structural and electronic aspects as well as the energetics of key prebiotic chemical reactions. Many of these insights are not directly obtainable from the experimental techniques and the computations are thus becoming indispensable for proper interpretation of many experiments and for qualified predictions. This review illustrates the synergy between experiment and theory in the origin of life research focusing on the prebiotic synthesis of various nucleic acid building blocks and on the self-assembly of nucleotides leading to the first functional oligonucleotides.

  15. Microbial production of the aromatic building-blocks (S)-styrene oxide and (R)-1,2-phenylethanediol from renewable resources.

    Science.gov (United States)

    McKenna, Rebekah; Pugh, Shawn; Thompson, Brian; Nielsen, David R

    2013-12-01

    (S)-Styrene oxide and (R)-1,2-phenylethanediol are chiral aromatic molecular building blocks used commonly as precursors to pharmaceuticals and other specialty chemicals. Two pathways have been engineered in Escherichia coli for their individual biosynthesis directly from glucose. The novel pathways each constitute extensions of the previously engineered styrene pathway, developed by co-expressing either styrene monooxygenase (SMO) or styrene dioxygenase (SDO) to convert styrene to (S)-styrene oxide and (R)-1,2-phenylethanediol, respectively. StyAB from Pseudomonas putida S12 was determined to be the most effective SMO. SDO activity was achieved using NahAaAbAcAd of Pseudomonas sp. NCIB 9816-4, a naphthalene dioxygenase with known broad substrate specificity. Production of phenylalanine, the precursor to both pathways, was systematically enhanced through a number of mutations, most notably via deletion of tyrA and over-expression of tktA. As a result, (R)-1,2-phenylethanediol reached titers as high as 1.23 g/L, and at 1.32 g/L (S)-styrene oxide titers already approach their toxicity limit. As with other aromatics, product toxicity was strongly correlated with a model of membrane accumulation and disruption. This study additionally demonstrates that greater flux through the styrene pathway can be achieved if its toxicity is addressed, as achieved in this case by reacting styrene to less toxic products. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. E-Block: A Tangible Programming Tool with Graphical Blocks

    OpenAIRE

    Danli Wang; Yang Zhang; Shengyong Chen

    2013-01-01

    This paper designs a tangible programming tool, E-Block, for children aged 5 to 9 to experience the preliminary understanding of programming by building blocks. With embedded artificial intelligence, the tool defines the programming blocks with the sensors as the input and enables children to write programs to complete the tasks in the computer. The symbol on the programming block's surface is used to help children understanding the function of each block. The sequence information is transfer...

  17. Building blocks of the universe

    International Nuclear Information System (INIS)

    Bleadon, M.E.; Malamud, E.; DeJong, T.; Fales, P.; Lindsay, R.; O'Connell, C.; Pasquinelli, R.; Snow, G.; Trombly-Freytag, S.; O'Connor, C.; Stanley, M.; Wisne, J.; Peshkin, M.

    1992-01-01

    SciTech and COSI are collaborating to develop interactive exhibits to convey to a wide audience some of the fascination of the world of the very small. In both museums, existing exhibits already offer a rich variety of experiences of nature at the human scale. On entering this new group of exhibits, the visitor will be led from the human scale to progressively smaller scales of size, discovering a sequence of new ways that matter is constituted. Some of the behavior will appear strange to most visitors, for example the quantum jumps of a huge model atom. But on reaching the level of quarks, it will be found that high energy physics has revealed that laws of the utmost simplicity underlie the complications of the human world. The creation of an effective ensemble of exhibits represents a challenge to our exhibit designers. We have to weigh the value and necessity of classical analogs of quantum behavior against their inevitable shortcomings. We have to engender a sense of wonder, but not of mystery. The visitor must feel that the exhibits represent gateways that open up, not barriers to surmount; that the new worlds discovered do not undermine common experience, but rather form an exciting extension to it. In the IISSC symposium two years ago we presented our first ideas. Now the proposed exhibits are in the final design and evaluation stage, and some are on the museum floor. This work is supported by a grant from the National Science Foundation and by matching contributions from several corporations and foundations

  18. Building blocks for organizational change.

    Science.gov (United States)

    Daly, Rich

    2014-05-01

    To understand the types of organizational change that will best help them meet strategic goals, hospitals and health systems are: Projecting their quality and savings goals for the coming years and weighing their ability to meet them. Looking for partner organizations that share their culture, goals, and capabilities. Assessing the types of organizational arrangements that will provide the desired benefits. Determining the key components needed to make the arrangement fit their goals and culture.

  19. Building blocks for national cyberpower

    CSIR Research Space (South Africa)

    Van Vuuren, JJ

    2016-01-01

    Full Text Available With the advancement of technology and proliferation of mobile and computing devices through all levels of society, cyber power is becoming an increasingly prominent driver in the attainment of national security for any state. This paper...

  20. New functionalities in the GROMOS biomolecular simulation software

    NARCIS (Netherlands)

    Kunz, A.P.E.; Allison, J.R.; Geerke, D.P.; Horta, B.A.C.; Hünenberger, Ph.H.; Riniker, S; Schmid, N.; van Gunsteren, W.F.

    2012-01-01

    Since the most recent description of the functionalities of the GROMOS software for biomolecular simulation in 2005 many new functions have been implemented. In this article, the new functionalities that involve modified forces in a molecular dynamics (MD) simulation are described: the treatment of

  1. Transient response characteristics in a biomolecular integral controller.

    Science.gov (United States)

    Sen, Shaunak

    2016-04-01

    The cellular behaviour of perfect adaptation is achieved through the use of an integral control element in the underlying biomolecular circuit. It is generally unclear how integral action affects the important aspect of transient response in these biomolecular systems, especially in light of the fact that it typically deteriorates the transient response in engineering contexts. To address this issue, the authors investigated the transient response in a computational model of a simple biomolecular integral control system involved in bacterial signalling. They find that the transient response can actually speed up as the integral gain parameter increases. On further analysis, they find that the underlying dynamics are composed of slow and fast modes and the speed-up of the transient response is because of the speed-up of the slow-mode dynamics. Finally, they note how an increase in the integral gain parameter also leads to a decrease in the amplitude of the transient response, consistent with the overall improvement in the transient response. These results should be useful in understanding the overall effect of integral action on system dynamics, particularly for biomolecular systems.

  2. From dynamics to structure and function of model biomolecular systems

    NARCIS (Netherlands)

    Fontaine-Vive-Curtaz, F.

    2007-01-01

    The purpose of this thesis was to extend recent works on structure and dynamics of hydrogen bonded crystals to model biomolecular systems and biological processes. The tools that we have used are neutron scattering (NS) and density functional theory (DFT) and force field (FF) based simulation

  3. Synergy of Two Highly Specific Biomolecular Recognition Events

    DEFF Research Database (Denmark)

    Ejlersen, Maria; Christensen, Niels Johan; Sørensen, Kasper K

    2018-01-01

    Two highly specific biomolecular recognition events, nucleic acid duplex hybridization and DNA-peptide recognition in the minor groove, were coalesced in a miniature ensemble for the first time by covalently attaching a natural AT-hook peptide motif to nucleic acid duplexes via a 2'-amino...

  4. Improvements to the APBS biomolecular solvation software suite.

    Science.gov (United States)

    Jurrus, Elizabeth; Engel, Dave; Star, Keith; Monson, Kyle; Brandi, Juan; Felberg, Lisa E; Brookes, David H; Wilson, Leighton; Chen, Jiahui; Liles, Karina; Chun, Minju; Li, Peter; Gohara, David W; Dolinsky, Todd; Konecny, Robert; Koes, David R; Nielsen, Jens Erik; Head-Gordon, Teresa; Geng, Weihua; Krasny, Robert; Wei, Guo-Wei; Holst, Michael J; McCammon, J Andrew; Baker, Nathan A

    2018-01-01

    The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that have provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses the three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this article, we discuss the models and capabilities that have recently been implemented within the APBS software package including a Poisson-Boltzmann analytical and a semi-analytical solver, an optimized boundary element solver, a geometry-based geometric flow solvation model, a graph theory-based algorithm for determining pK a values, and an improved web-based visualization tool for viewing electrostatics. © 2017 The Protein Society.

  5. Chitosan microspheres with an extracellular matrix-mimicking nanofibrous structure as cell-carrier building blocks for bottom-up cartilage tissue engineering

    Science.gov (United States)

    Zhou, Yong; Gao, Huai-Ling; Shen, Li-Li; Pan, Zhao; Mao, Li-Bo; Wu, Tao; He, Jia-Cai; Zou, Duo-Hong; Zhang, Zhi-Yuan; Yu, Shu-Hong

    2015-12-01

    Scaffolds for tissue engineering (TE) which closely mimic the physicochemical properties of the natural extracellular matrix (ECM) have been proven to advantageously favor cell attachment, proliferation, migration and new tissue formation. Recently, as a valuable alternative, a bottom-up TE approach utilizing cell-loaded micrometer-scale modular components as building blocks to reconstruct a new tissue in vitro or in vivo has been proved to demonstrate a number of desirable advantages compared with the traditional bulk scaffold based top-down TE approach. Nevertheless, micro-components with an ECM-mimicking nanofibrous structure are still very scarce and highly desirable. Chitosan (CS), an accessible natural polymer, has demonstrated appealing intrinsic properties and promising application potential for TE, especially the cartilage tissue regeneration. According to this background, we report here the fabrication of chitosan microspheres with an ECM-mimicking nanofibrous structure for the first time based on a physical gelation process. By combining this physical fabrication procedure with microfluidic technology, uniform CS microspheres (CMS) with controlled nanofibrous microstructure and tunable sizes can be facilely obtained. Especially, no potentially toxic or denaturizing chemical crosslinking agent was introduced into the products. Notably, in vitro chondrocyte culture tests revealed that enhanced cell attachment and proliferation were realized, and a macroscopic 3D geometrically shaped cartilage-like composite can be easily constructed with the nanofibrous CMS (NCMS) and chondrocytes, which demonstrate significant application potential of NCMS as the bottom-up cell-carrier components for cartilage tissue engineering.Scaffolds for tissue engineering (TE) which closely mimic the physicochemical properties of the natural extracellular matrix (ECM) have been proven to advantageously favor cell attachment, proliferation, migration and new tissue formation

  6. Time-resolved single-photon detection module based on silicon photomultiplier: A novel building block for time-correlated measurement systems

    Energy Technology Data Exchange (ETDEWEB)

    Martinenghi, E., E-mail: edoardo.martinenghi@polimi.it; Di Sieno, L.; Contini, D.; Dalla Mora, A. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Sanzaro, M. [Dipartimento di Elettronica, Informazione e Bioingegneria, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Pifferi, A. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy); Istituto di Fotonica e Nanotecnologie, Consiglio Nazionale delle Ricerche, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2016-07-15

    We present the design and preliminary characterization of the first detection module based on Silicon Photomultiplier (SiPM) tailored for single-photon timing applications. The aim of this work is to demonstrate, thanks to the design of a suitable module, the possibility to easily exploit SiPM in many applications as an interesting detector featuring large active area, similarly to photomultipliers tubes, but keeping the advantages of solid state detectors (high quantum efficiency, low cost, compactness, robustness, low bias voltage, and insensitiveness to magnetic field). The module integrates a cooled SiPM with a total photosensitive area of 1 mm{sup 2} together with the suitable avalanche signal read-out circuit, the signal conditioning, the biasing electronics, and a Peltier cooler driver for thermal stabilization. It is able to extract the single-photon timing information with resolution better than 100 ps full-width at half maximum. We verified the effective stabilization in response to external thermal perturbations, thus proving the complete insensitivity of the module to environment temperature variations, which represents a fundamental parameter to profitably use the instrument for real-field applications. We also characterized the single-photon timing resolution, the background noise due to both primary dark count generation and afterpulsing, the single-photon detection efficiency, and the instrument response function shape. The proposed module can become a reliable and cost-effective building block for time-correlated single-photon counting instruments in applications requiring high collection capability of isotropic light and detection efficiency (e.g., fluorescence decay measurements or time-domain diffuse optics systems).

  7. The Reaction Pathway of Cellulose Pyrolysis to a Multifunctional Chiral Building Block: The Role of Water Unveiled by a DFT Computational Investigation.

    Science.gov (United States)

    Marforio, Tainah Dorina; Bottoni, Andrea; Calvaresi, Matteo; Fabbri, Daniele; Giacinto, Pietro; Zerbetto, Francesco

    2016-12-05

    LAC (hydroxylactone (1R,5S)-1-hydroxy-3,6-dioxabicyclo[3.2.1]octan-2-one) is one of the most interesting products of the pyrolysis of cellulose and represents a useful chiral building block in organic synthesis. A computational investigation at the DFT level on the mechanism of formation of LAC shows that this species can be obtained following two reaction paths, path A and path B, starting from a well-known pyrolysis product (ascopyrone P). A series of internal rearrangements involving in all cases a proton transfer leads directly to LAC (path B). An alternative path (path A) can be also followed. From this path, via a "gate" connecting the two reaction channels, it is possible to reach path B and form LAC. In both cases, the rate-determining step of the process is the initial keto-enol isomerization. We found that water, which is present in the reaction mixture, "catalyzes" the reaction by assisting the proton transfers present in all the steps of the process. In particular, water lowers the barrier of the rate-determining step that becomes 40.9 kcal mol -1 (79.4 kcal mol -1 in the absence of water). The corresponding computed rate constant is 4.3×10 s -1 at 500 °C, a value which is consistent with the presence of LAC in the absence of metal catalysts. The results of this study on the non-catalyzed process underpin the important role played by water in the formation of pyrolysis products of cellulose where proton transfer is a key mechanistic step. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Crystal architectures of copper and zinc metal complexes containing 2-thiophenepropionate and 1,2-bis(4-pyridyl)ethane building blocks

    Science.gov (United States)

    Dias de Souza, Nelson Luis G.; Garcia, Humberto Costa; de Souza, Marcia Cristina; Fernandes, Ana Luisa do Amaral; Pereira, Giselle Carvalho; Diniz, Renata; de Oliveira, Luiz Fernando C.

    2015-04-01

    In this work the synthesis, spectroscopic properties (infrared and Raman) and crystal structures of three new coordination polymers named [Cu(2-TPA)2]n (1), {[Zn(bpa)(bpa)1/2(2-TPA)]ṡClO4}n (2) and {[Zn3(bpa)4(2-TPA)4]ṡ(ClO4)2}n (3) are reported, where 2-TPA is 2-thiophenepropionate and bpa is 1,2-bis(4-pyridyl) ethane. Compounds 1 and 3 were synthesized by the diffusion method, using methanol/water as solvent for compound 1 and ethanol/water for compound 3. Compound 2 was obtained using solvo-thermal synthesis, ethanol/water as solvent and with a maximum heating of 90 °C. Compounds 1 and 2 crystallize in monoclinic system and space group P21/c: for complex 1 was observed the presence of Cusbnd Cui bond with distance of 2.587 (2) Å, whereas for compound 2 was observed the formation of cavities in the structure. Compound 3 crystallizes in a triclinic system and space group P - 1, with two crystallographically distinct metallic centers named Zn1 and Zn2; the coordination sphere of Zn1 metal ion exhibits slightly distorted octahedral coordination geometry, whereas the other metal site (Zn2) appears in a slightly distorted square-based pyramid (τ = 0.34). Another important point refers to the synthesis procedure adopted for obtaining different crystalline arrangements involving the same building blocks: by solvothermal or by diffusion, different compounds could be obtained. The vibrational spectra of all the compounds are very similar, and in agreement with the crystal data; the Raman and infrared spectra have shown important bands to confirm the compound formation, such as the coupled ν(CC)/ν(CN) mode at 1600-1620 cm-1 (in both Raman and infrared) and νa(COO) mode at ca. 1580 cm-1 (infrared).

  9. An Assembly Funnel Makes Biomolecular Complex Assembly Efficient

    Science.gov (United States)

    Zenk, John; Schulman, Rebecca

    2014-01-01

    Like protein folding and crystallization, the self-assembly of complexes is a fundamental form of biomolecular organization. While the number of methods for creating synthetic complexes is growing rapidly, most require empirical tuning of assembly conditions and/or produce low yields. We use coarse-grained simulations of the assembly kinetics of complexes to identify generic limitations on yields that arise because of the many simultaneous interactions allowed between the components and intermediates of a complex. Efficient assembly occurs when nucleation is fast and growth pathways are few, i.e. when there is an assembly “funnel”. For typical complexes, an assembly funnel occurs in a narrow window of conditions whose location is highly complex specific. However, by redesigning the components this window can be drastically broadened, so that complexes can form quickly across many conditions. The generality of this approach suggests assembly funnel design as a foundational strategy for robust biomolecular complex synthesis. PMID:25360818

  10. Physics at the biomolecular interface fundamentals for molecular targeted therapy

    CERN Document Server

    Fernández, Ariel

    2016-01-01

    This book focuses primarily on the role of interfacial forces in understanding biological phenomena at the molecular scale. By providing a suitable statistical mechanical apparatus to handle the biomolecular interface, the book becomes uniquely positioned to address core problems in molecular biophysics. It highlights the importance of interfacial tension in delineating a solution to the protein folding problem, in unravelling the physico-chemical basis of enzyme catalysis and protein associations, and in rationally designing molecular targeted therapies. Thus grounded in fundamental science, the book develops a powerful technological platform for drug discovery, while it is set to inspire scientists at any level in their careers determined to address the major challenges in molecular biophysics. The acknowledgment of how exquisitely the structure and dynamics of proteins and their aqueous environment are related attests to the overdue recognition that biomolecular phenomena cannot be effectively understood w...

  11. Three-dimensional roselike α-Ni(OH){sub 2} assembled from nanosheet building blocks for non-enzymatic glucose detection

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Pan [College of Materials Science and Metallurgy Engineering, Guizhou University, Guiyang 550025 (China); Lei, Yuting [College of Life Sciences, Guizhou University, Guiyang 550025 (China); Lu, Shengjun, E-mail: shjlu71@163.com [College of Materials Science and Metallurgy Engineering, Guizhou University, Guiyang 550025 (China); Wang, Qing [College of Materials Science and Metallurgy Engineering, Guizhou University, Guiyang 550025 (China); Liu, Qibin, E-mail: qbliu2@263.net [Guizhou Key Laboratory for Microstructure and Strength of Materials, Guiyang, Guizhou 550003 (China)

    2015-06-23

    Highlights: • High-quality roselike α-Ni(OH){sub 2} can be obtained via a self-assembly process with the assistance of PEG. • The Ni(OH){sub 2}-RS have bimodal porosity in the mesoporous regime with large specific surface areas. • This work developed a highly sensitive biosensor based on Ni(OH){sub 2}-RS for the determination of glucose. • This biosensor shows a wide linear range of 0.87 μM–10.53 mM and a lower detection limit of 0.08 μM. - Abstract: Glucose detection plays very important roles in diagnostics and management of diabetes. The search for novel catalytic materials with appropriate architectures is the key step in the fabrication of highly sensitive glucose sensors. In this work, α-Ni(OH){sub 2} roselike structures (Ni(OH){sub 2}-RS) assembled from nanosheet building blocks were successfully synthesized by a hydrothermal method through the hydrolysis of nickel chloride in the mixed solvents of water and ethanol with the assistance of polyethylene glycol (PEG). The structure and morphology of the roselike α-Ni(OH){sub 2} were characterized by transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM), X-ray photoelectron spectroscopy (XPS), X-ray powder diffraction (XRD) and N{sub 2} adsorption–desorption isotherm measurement. TEM and FE-SEM images showed that the synthesized Ni(OH){sub 2} was roselike and the size of the leaf-shaped nanosheet was about 5 nm in thickness, which leads to larger active surface areas and faster electron transfer for the detection of glucose. Compared with the bare GCE and bulk Ni(OH){sub 2}/GCE, the Ni(OH){sub 2}-RS/GCE had higher catalytic activity toward the oxidation of glucose. Under the optimal conditions, the Ni(OH){sub 2}-RS/GCE offers a variety of merits, such as a wide linear response window for glucose concentrations ranging from 0.87 μM to 10.53 mM, short response time (3 s), a lower detection limit of 0.08 μM (S/N = 3), as well as long term stability and

  12. The first bis-cyanoxime: synthesis and properties of a new versatile and accessible polydentate bifunctional building block for coordination and supramolecular chemistry.

    Science.gov (United States)

    Cheadle, Carl; Gerasimchuk, Nikolay; Barnes, Charles L; Tyukhtenko, Sergiy I; Silchenko, Svitlana

    2013-04-14

    , >2.89 Å, mostly electrostatic Tl···O contacts, involving oxygen atoms of the amide-group and the oxime-group of neighboring units. Among several possible binding modes, the coordination of the bis-cyanoxime dianion of 2 adopted in complex 4 is unusual, and evidenced its great potential as a versatile building block for coordination and supramolecular chemistry.

  13. Determinations of PCB within a project to develop cleanup methods for PCB-containing elastic sealant used in outdoor joints between concrete blocks in buildings.

    Science.gov (United States)

    Sundahl, M; Sikander, E; Ek-Olausson, B; Hjorthage, A; Rosell, L; Tornevall, M

    1999-08-01

    Determinations of PCB were carried out as part of a project aimed at developing cleanup methods for PCB-containing elastic sealant used in outdoor joints between concrete blocks. The goals of the project were to develop methods, which minimise the spread of PCB to the outdoor environment and to indoor air, and which keep the PCB levels as low as reasonably possible in the workplace environment whilst removing the elastic sealant. The following PCB determinations were carried out: (1) concentration in the elastic sealant; (2) concentration in the concrete close to the sealant; (3) concentration in soil; (4) concentration in the indoor air; and (5) concentration in the air in the workplace environment. The cleanup process consisted of a number of different steps: (1) cutting the elastic sealant with an oscillating knife; (2) grinding the concrete with a mechanical machine; (3) sawing the concrete with a mechanical saw and (4) cutting the concrete with a mechanical chisel. In all these different steps a high capacity vacuum cleaner connected to the machines was used. The elastic sealant contained 4.7 to 8.1% total PCB of a technical product with a composition most similar to Clophene A40. The concrete close to the sealant (first 2 mm) contained 0.12 and 1.7% total PCB at two different places. The pattern of the PCB in the concrete resembled that of the sealant. PCB concentrations in the soil from the ground close to the building were 0.1 and 0.3 ppm at two different places before the remedial action. The source of the PCB in the soil is most likely the sealant as the PCB pattern is similar for the two materials. The PCB levels in the workplace air at the beginning of the project, when the techniques were not fully developed, were generally above the occupational exposure limit of 10 micrograms m-3 (up to 120 micrograms m-3). Later when the techniques were optimised to better take care of dust and gases produced during the cutting and grinding etc., the levels were

  14. Hydrothermal assembly, structures, topologies, luminescence, and magnetism of a novel series of coordination polymers driven by a trifunctional nicotinic acid building block.

    Science.gov (United States)

    Gu, Jin-Zhong; Liang, Xiao-Xiao; Cai, Yan; Wu, Jiang; Shi, Zi-Fa; Kirillov, Alexander M

    2017-08-22

    In this work, a trifunctional N,O-building block, 5-(4-carboxyphenoxy)nicotinic acid (H 2 cpna), that combines three distinct types of functional groups (COOH, N-pyridyl, and O-ether) was used for the hydrothermal assembly of thirteen new coordination compounds: [Co(μ 3 -Hcpna) 2 ] n (1), [Mn(μ 4 -cpna)(H 2 O)] n (2), [Mn(μ 4 -cpna)(H 2 O) 2 ] n (3), [Mn(μ-cpna)(2,2'-bipy)(H 2 O) 2 ] n (4), {[Ni(μ 3 -cpna)(2,2'-bipy)(H 2 O)] 2 ·H 2 O} n (5), {[Cd(μ 3 -cpna)(2,2'-bipy)]·2H 2 O} n (6), [Zn 2 (μ-cpna) 2 (2,2'-bipy) 2 ] (7), [Cu(μ-cpna)(2,2'-bipy)(H 2 O)] n (8), {[Mn(μ-cpna)(phen) 2 ]·6H 2 O} n (9), {[Ni(μ 3 -cpna)(phen)(H 2 O)]·H 2 O} n (10), [Zn 2 (μ-cpna) 2 (phen) 2 ] (11), {[Pb(μ 3 -cpna)(phen)]·H 2 O} n (12), and [Ni(μ 3 -cpna)(4,4'-bipy) 0.5 (H 2 O)] n (13). These products were synthesized from the corresponding metal(ii) chlorides, H 2 cpna, NaOH, and optional N-donor supporting ligands or templates {bis(4-pyridyl)amine (bpa), 2,2'-bipyridine (2,2'-bipy), 4,4'-bipyridine (4,4'-bipy), or 1,10-phenanthroline (phen)}. Products 1-13 were characterized in the solid state by standard methods, including elemental and thermogravimetric analysis (TGA), IR spectroscopy, and powder (PXRD) and single-crystal X-ray diffraction. The structures of 1-13 feature distinct structural types, namely the 3D metal-organic frameworks (MOFs 1-3), the 2D coordination polymers (5, 6, 10, 12, and 13), the 1D coordination polymers (4, 8, and 9), and the 0D discrete cyclic dimers (7 and 11). Such a wide structural diversity of 1-13 is driven by various factors, including the type of the metal(ii) node, the deprotonation degree of H 2 cpna, and/or the type of supporting ligand or template. Notably, an addition of bpa can tune the structure of MOF 3 by the template effect. Topological classification of underlying metal-organic networks was performed, leading to several distinct topological nets: rtl (in 1), hxg-d-4-C2/m (in 2), sra (in 3), 2C1 (in 4, 8 and 9), fes (in 5, 10

  15. Studies and mechanical properties of a new type of 'hybrid' ceramic block for buildings in structural masonry; Estudos e propriedades mecanicas de um novo tipo de bloco ceramico 'hibrido' para edificacoes em alvenarias estruturais

    Energy Technology Data Exchange (ETDEWEB)

    Camara, Cassio Freire; Gomes, Uilame Umbelino, E-mail: cfcamara@infra.ufrn.br, E-mail: umbelino@dfte.ufrn.br [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Programa de Pos-Graduacao em Ciencias e Engenharia de Materiais

    2012-07-01

    This paper presents the development of a hybrid ceramic block to the use of resides in the buildings executed with structural masonry. This work seeking new materials and / or products with the purpose of increasing the compressive strength of the ceramic blocks, without neglecting other properties (water absorption and linear shrinkage). After the obtained material (clay powder and crushed), the packaging (in percentages ranging from 0%, 5%, 10% and 15% substitution of crushed clay powder), the identification and measuring (weights and lengths) of the bodies of the test piece, was performed on the approach characterized by fluorescence, mineralogy and SEM of these materials as well as the characterization (SEM) of ceramic blocks after the sintering (temperature of the 900 deg C, 1000 deg C, and 1100 deg C rate with heating tax of 5{sup o}C/minute and soak for 1 hour). Then the samples were subjected to the tests (compressive strength and water absorption) and the respective calculated linear shrinkage. After conducting the analysis of the results of these tests (according to the criteria and parameters required by the ABNT NBR 15270) was found that the 'hybrid' block with the addition of 10% crushed powder obtained the best results, increasing the compressive strength at 16 % without compromising the other parameters required by the Standard. (author)

  16. Population Blocks.

    Science.gov (United States)

    Smith, Martin H.

    1992-01-01

    Describes an educational game called "Population Blocks" that is designed to illustrate the concept of exponential growth of the human population and some potential effects of overpopulation. The game material consists of wooden blocks; 18 blocks are painted green (representing land), 7 are painted blue (representing water); and the remaining…

  17. Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics.

    Science.gov (United States)

    Prinz, Jan-Hendrik; Chodera, John D; Pande, Vijay S; Swope, William C; Smith, Jeremy C; Noé, Frank

    2011-06-28

    Parallel tempering (PT) molecular dynamics simulations have been extensively investigated as a means of efficient sampling of the configurations of biomolecular systems. Recent work has demonstrated how the short physical trajectories generated in PT simulations of biomolecules can be used to construct the Markov models describing biomolecular dynamics at each simulated temperature. While this approach describes the temperature-dependent kinetics, it does not make optimal use of all available PT data, instead estimating the rates at a given temperature using only data from that temperature. This can be problematic, as some relevant transitions or states may not be sufficiently sampled at the temperature of interest, but might be readily sampled at nearby temperatures. Further, the comparison of temperature-dependent properties can suffer from the false assumption that data collected from different temperatures are uncorrelated. We propose here a strategy in which, by a simple modification of the PT protocol, the harvested trajectories can be reweighted, permitting data from all temperatures to contribute to the estimated kinetic model. The method reduces the statistical uncertainty in the kinetic model relative to the single temperature approach and provides estimates of transition probabilities even for transitions not observed at the temperature of interest. Further, the method allows the kinetics to be estimated at temperatures other than those at which simulations were run. We illustrate this method by applying it to the generation of a Markov model of the conformational dynamics of the solvated terminally blocked alanine peptide.

  18. Computational Approach for Quantifying Structural Disorder in Biomolecular Lattices

    Science.gov (United States)

    Bratton, Clayton; Reiser, Karen; Knoesen, Andre; Yankelevich, Diego; Wang, Mingshi; Rocha-Mendoza, Israel

    2009-11-01

    We have developed a novel computational approach for quantifying structural disorder in biomolecular lattices with nonlinear susceptibility based on analysis of polarization-modulated second harmonic signal. Transient, regional disorder at the level of molecular organization is identified using a novel signal-processing algorithms sufficiently compact for near real-time analysis with a desktop computer. Global disorder and regional disorder within the biostructure are assessed and scored using a multiple methodologies. Experimental results suggest our signal processing method represents a robust, scalable tool that allows us to detect both regional and global alterations in signal characteristics of biostructures with a high degree of discrimination.

  19. Making Block Grants Accountable.

    Science.gov (United States)

    Chelimsky, Eleanor

    Methods of accountability are presented in considering the Reagan administration plan to consolidate 84 federal health, education and social service grants into six block grant areas and to cut overall funding. After matching aspects of public criticism with proposal objectives, a rationale is developed for building elements of accountability into…

  20. Two-step crystal engineering of porous nets from [Cr3(μ 3-O)(RCO2)6] and [Cu3(μ 3-Cl)(RNH2)6Cl6] molecular building blocks

    KAUST Repository

    Elsaidi, Sameh K.

    2013-01-01

    Two porous nets have been prepared via a 2-step crystal engineering approach that links decorated trigonal prismatic [Cr3(μ 3-O)(CO2)6] and [Cu3(μ 3-Cl)(RNH2)6Cl6] molecular building blocks, MBBs. tp-PMBB-5-acs-1 is a rare example of a rigid acs underlying net whereas tp-PMBB-6-stp-1, an stp underlying net, exhibits free NH2 groups in its channels and a relatively high isosteric heat of adsorption for CO2. © 2013 The Royal Society of Chemistry.

  1. Water-soluble luminescent quantum dots and biomolecular conjugates thereof and related compositions and method of use

    Science.gov (United States)

    Nie, Shuming; Chan, Warren C. W.; Emory, Steven R.

    2002-01-01

    The present invention provides a water-soluble luminescent quantum dot, a biomolecular conjugate thereof and a composition comprising such a quantum dot or conjugate. Additionally, the present invention provides a method of obtaining a luminescent quantum dot, a method of making a biomolecular conjugate thereof, and methods of using a biomolecular conjugate for ultrasensitive nonisotopic detection in vitro and in vivo.

  2. Water-soluble luminescent quantum dots and biomolecular conjugates thereof and related compositions and methods of use

    Science.gov (United States)

    Nie, Shuming; Chan, Warren C. W.; Emory, Stephen

    2007-03-20

    The present invention provides a water-soluble luminescent quantum dot, a biomolecular conjugate thereof and a composition comprising such a quantum dot or conjugate. Additionally, the present invention provides a method of obtaining a luminescent quantum dot, a method of making a biomolecular conjugate thereof, and methods of using a biomolecular conjugate for ultrasensitive nonisotopic detection in vitro and in vivo.

  3. An Overview of Biomolecular Event Extraction from Scientific Documents.

    Science.gov (United States)

    Vanegas, Jorge A; Matos, Sérgio; González, Fabio; Oliveira, José L

    2015-01-01

    This paper presents a review of state-of-the-art approaches to automatic extraction of biomolecular events from scientific texts. Events involving biomolecules such as genes, transcription factors, or enzymes, for example, have a central role in biological processes and functions and provide valuable information for describing physiological and pathogenesis mechanisms. Event extraction from biomedical literature has a broad range of applications, including support for information retrieval, knowledge summarization, and information extraction and discovery. However, automatic event extraction is a challenging task due to the ambiguity and diversity of natural language and higher-level linguistic phenomena, such as speculations and negations, which occur in biological texts and can lead to misunderstanding or incorrect interpretation. Many strategies have been proposed in the last decade, originating from different research areas such as natural language processing, machine learning, and statistics. This review summarizes the most representative approaches in biomolecular event extraction and presents an analysis of the current state of the art and of commonly used methods, features, and tools. Finally, current research trends and future perspectives are also discussed.

  4. An Overview of Biomolecular Event Extraction from Scientific Documents

    Directory of Open Access Journals (Sweden)

    Jorge A. Vanegas

    2015-01-01

    Full Text Available This paper presents a review of state-of-the-art approaches to automatic extraction of biomolecular events from scientific texts. Events involving biomolecules such as genes, transcription factors, or enzymes, for example, have a central role in biological processes and functions and provide valuable information for describing physiological and pathogenesis mechanisms. Event extraction from biomedical literature has a broad range of applications, including support for information retrieval, knowledge summarization, and information extraction and discovery. However, automatic event extraction is a challenging task due to the ambiguity and diversity of natural language and higher-level linguistic phenomena, such as speculations and negations, which occur in biological texts and can lead to misunderstanding or incorrect interpretation. Many strategies have been proposed in the last decade, originating from different research areas such as natural language processing, machine learning, and statistics. This review summarizes the most representative approaches in biomolecular event extraction and presents an analysis of the current state of the art and of commonly used methods, features, and tools. Finally, current research trends and future perspectives are also discussed.

  5. Biomolecular logic systems: applications to biosensors and bioactuators

    Science.gov (United States)

    Katz, Evgeny

    2014-05-01

    The paper presents an overview of recent advances in biosensors and bioactuators based on the biocomputing concept. Novel biosensors digitally process multiple biochemical signals through Boolean logic networks of coupled biomolecular reactions and produce output in the form of YES/NO response. Compared to traditional single-analyte sensing devices, biocomputing approach enables a high-fidelity multi-analyte biosensing, particularly beneficial for biomedical applications. Multi-signal digital biosensors thus promise advances in rapid diagnosis and treatment of diseases by processing complex patterns of physiological biomarkers. Specifically, they can provide timely detection and alert to medical emergencies, along with an immediate therapeutic intervention. Application of the biocomputing concept has been successfully demonstrated for systems performing logic analysis of biomarkers corresponding to different injuries, particularly exemplified for liver injury. Wide-ranging applications of multi-analyte digital biosensors in medicine, environmental monitoring and homeland security are anticipated. "Smart" bioactuators, for example for signal-triggered drug release, were designed by interfacing switchable electrodes and biocomputing systems. Integration of novel biosensing and bioactuating systems with the biomolecular information processing systems keeps promise for further scientific advances and numerous practical applications.

  6. Role of biomolecular logic systems in biosensors and bioactuators

    Science.gov (United States)

    Mailloux, Shay; Katz, Evgeny

    2014-09-01

    An overview of recent advances in biosensors and bioactuators based on biocomputing systems is presented. Biosensors digitally process multiple biochemical signals through Boolean logic networks of coupled biomolecular reactions and produce an output in the form of a YES/NO response. Compared to traditional single-analyte sensing devices, the biocomputing approach enables high-fidelity multianalyte biosensing, which is particularly beneficial for biomedical applications. Multisignal digital biosensors thus promise advances in rapid diagnosis and treatment of diseases by processing complex patterns of physiological biomarkers. Specifically, they can provide timely detection and alert medical personnel of medical emergencies together with immediate therapeutic intervention. Application of the biocomputing concept has been successfully demonstrated for systems performing logic analysis of biomarkers corresponding to different injuries, particularly as exemplified for liver injury. Wide-ranging applications of multianalyte digital biosensors in medicine, environmental monitoring, and homeland security are anticipated. "Smart" bioactuators, for signal-triggered drug release, for example, were designed by interfacing switchable electrodes with biocomputing systems. Integration of biosensing and bioactuating systems with biomolecular information processing systems advances the potential for further scientific innovations and various practical applications.

  7. Selected topics in solution-phase biomolecular NMR spectroscopy

    Science.gov (United States)

    Kay, Lewis E.; Frydman, Lucio

    2017-05-01

    Solution bio-NMR spectroscopy continues to enjoy a preeminent role as an important tool in elucidating the structure and dynamics of a range of important biomolecules and in relating these to function. Equally impressive is how NMR continues to 'reinvent' itself through the efforts of many brilliant practitioners who ask increasingly demanding and increasingly biologically relevant questions. The ability to manipulate spin Hamiltonians - almost at will - to dissect the information of interest contributes to the success of the endeavor and ensures that the NMR technology will be well poised to contribute to as yet unknown frontiers in the future. As a tribute to the versatility of solution NMR in biomolecular studies and to the continued rapid advances in the field we present a Virtual Special Issue (VSI) that includes over 40 articles on various aspects of solution-state biomolecular NMR that have been published in the Journal of Magnetic Resonance in the past 7 years. These, in total, help celebrate the achievements of this vibrant field.

  8. MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations

    Science.gov (United States)

    Vergara-Perez, Sandra; Marucho, Marcelo

    2016-01-01

    One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson-Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post-analysis of structural and electrical properties of biomolecules.

  9. MPBEC, a Matlab Program for Biomolecular Electrostatic Calculations.

    Science.gov (United States)

    Vergara-Perez, Sandra; Marucho, Marcelo

    2016-01-01

    One of the most used and efficient approaches to compute electrostatic properties of biological systems is to numerically solve the Poisson-Boltzmann (PB) equation. There are several software packages available that solve the PB equation for molecules in aqueous electrolyte solutions. Most of these software packages are useful for scientists with specialized training and expertise in computational biophysics. However, the user is usually required to manually take several important choices, depending on the complexity of the biological system, to successfully obtain the numerical solution of the PB equation. This may become an obstacle for researchers, experimentalists, even students with no special training in computational methodologies. Aiming to overcome this limitation, in this article we present MPBEC, a free, cross-platform, open-source software that provides non-experts in the field an easy and efficient way to perform biomolecular electrostatic calculations on single processor computers. MPBEC is a Matlab script based on the Adaptative Poisson Boltzmann Solver, one of the most popular approaches used to solve the PB equation. MPBEC does not require any user programming, text editing or extensive statistical skills, and comes with detailed user-guide documentation. As a unique feature, MPBEC includes a useful graphical user interface (GUI) application which helps and guides users to configure and setup the optimal parameters and approximations to successfully perform the required biomolecular electrostatic calculations. The GUI also incorporates visualization tools to facilitate users pre- and post- analysis of structural and electrical properties of biomolecules.

  10. Data-driven coarse graining of large biomolecular structures.

    Science.gov (United States)

    Chen, Yi-Ling; Habeck, Michael

    2017-01-01

    Advances in experimental and computational techniques allow us to study the structure and dynamics of large biomolecular assemblies at increasingly higher resolution. However, with increasing structural detail it can be challenging to unravel the mechanism underlying the function of molecular machines. One reason is that atomistic simulations become computationally prohibitive. Moreover it is difficult to rationalize the functional mechanism of systems composed of tens of thousands to millions of atoms by following each atom's movements. Coarse graining (CG) allows us to understand biological structures from a hierarchical perspective and to gradually zoom into the adequate level of structural detail. This article introduces a Bayesian approach for coarse graining biomolecular structures. We develop a probabilistic model that aims to represent the shape of an experimental structure as a cloud of bead particles. The particles interact via a pairwise potential whose parameters are estimated along with the bead positions and the CG mapping between atoms and beads. Our model can also be applied to density maps obtained by cryo-electron microscopy. We illustrate our approach on various test systems.

  11. PREFACE: Radiation Damage in Biomolecular Systems (RADAM07)

    Science.gov (United States)

    McGuigan, Kevin G.

    2008-03-01

    The annual meeting of the COST P9 Action `Radiation damage in biomolecular systems' took place from 19-22 June 2007 in the Royal College of Surgeons in Ireland, in Dublin. The conference was structured into 5 Working Group sessions: Electrons and biomolecular interactions Ions and biomolecular interactions Radiation in physiological environments Theoretical developments for radiation damage Track structure in cells Each of the five working groups presented two sessions of invited talks. Professor Ron Chesser of Texas Tech University, USA gave a riveting plenary talk on `Mechanisms of Adaptive Radiation Responses in Mammals at Chernobyl' and the implications his work has on the Linear-No Threshold model of radiation damage. In addition, this was the first RADAM meeting to take place after the Alexander Litvenenko affair and we were fortunate to have one of the leading scientists involved in the European response Professor Herwig Paretzke of GSF-Institut für Strahlenschutz, Neuherberg, Germany, available to speak. The remaining contributions were presented in the poster session. A total of 72 scientific contributions (32 oral, 40 poster), presented by 97 participants from 22 different countries, gave an overview on the current progress in the 5 different subfields. A 1-day pre-conference `Early Researcher Tutorial Workshop' on the same topic kicked off on 19 June attended by more than 40 postgrads, postdocs and senior researchers. Twenty papers, based on these reports, are included in this volume of Journal of Physics: Conference Series. All the contributions in this volume were fully refereed, and they represent a sample of the courses, invited talks and contributed talks presented during RADAM07. The interdisciplinary RADAM07 conference brought together researchers from a variety of different fields with a common interest in biomolecular radiation damage. This is reflected by the disparate backgrounds of the authors of the papers presented in these proceedings

  12. Flexible synthetic routes to poison-frog alkaloids of the 5,8-disubstituted indolizidine-class I: synthesis of common lactam chiral building blocks and application to the synthesis of (--203A, (--205A, and (--219F

    Directory of Open Access Journals (Sweden)

    Spande Thomas F

    2007-09-01

    Full Text Available Abstract Background The 5,8-disubstituted indolizidines are the largest class of poison-frog alkaloids found in anuran skin, and are of considerable interest because of their inhibitory effects on the neuronal nicotinic acetylcholine receptors. Many synthetic strategies for the construction of this nucleus have been reported: however, a flexible route has not been reported to date. Results Synthesis of lactam chiral building blocks for the flexible synthesis of the title alkaloids has been achieved using a Michael-type conjugate addition reaction to a chiral cyclic enamine ester as the key step in constructing the trisubstituted piperidine ring system. To demonstrate the usefulness of these chiral building blocks, syntheses of (--203A, (--205A from 1, and (--219F from 2 have been achieved. Conclusion The total synthesis of (--203A, (--205A, and (--219F was achieved, and the absolute stereochemistry of natural 203A was determined to be 5S, 8R, 9S. In addition, the relative stereochemistry of natural 219F was determined.

  13. Building Numbers from Primes

    Science.gov (United States)

    Burkhart, Jerry

    2009-01-01

    Prime numbers are often described as the "building blocks" of natural numbers. This article shows how the author and his students took this idea literally by using prime factorizations to build numbers with blocks. In this activity, students explore many concepts of number theory, including the relationship between greatest common factors and…

  14. The structural bioinformatics library: modeling in biomolecular science and beyond.

    Science.gov (United States)

    Cazals, Frédéric; Dreyfus, Tom

    2017-04-01

    Software in structural bioinformatics has mainly been application driven. To favor practitioners seeking off-the-shelf applications, but also developers seeking advanced building blocks to develop novel applications, we undertook the design of the Structural Bioinformatics Library ( SBL , http://sbl.inria.fr ), a generic C ++/python cross-platform software library targeting complex problems in structural bioinformatics. Its tenet is based on a modular design offering a rich and versatile framework allowing the development of novel applications requiring well specified complex operations, without compromising robustness and performances. The SBL involves four software components (1-4 thereafter). For end-users, the SBL provides ready to use, state-of-the-art (1) applications to handle molecular models defined by unions of balls, to deal with molecular flexibility, to model macro-molecular assemblies. These applications can also be combined to tackle integrated analysis problems. For developers, the SBL provides a broad C ++ toolbox with modular design, involving core (2) algorithms , (3) biophysical models and (4) modules , the latter being especially suited to develop novel applications. The SBL comes with a thorough documentation consisting of user and reference manuals, and a bugzilla platform to handle community feedback. The SBL is available from http://sbl.inria.fr. Frederic.Cazals@inria.fr. 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

  15. Nest building is impaired in the Ts65Dn mouse model of Down syndrome and rescued by blocking 5HT2a receptors.

    Science.gov (United States)

    Heller, H Craig; Salehi, Ahmad; Chuluun, Bayarsaikhan; Das, Devsmita; Lin, Bill; Moghadam, Sarah; Garner, Craig C; Colas, Damien

    2014-12-01

    Down syndrome (DS) has an incidence of about 1/700 births, and is therefore the most common cause of cognitive and behavioral impairments in children. Recent studies on mouse models of DS indicate that a number of pharmacotherapies could be beneficial for restoring cognitive abilities in individuals with DS. Attention deficits that are present in DS account in part for learning and memory deficiencies yet have been scarcely studied in corresponding models. Investigations of this relevant group of behaviors is more difficult in mouse models because of the difficulty in homologizing mouse and human behaviors and because standard laboratory environments do not always elicit behaviors of interest. Here we characterize nest building as a goal-directed behavior that is seriously impaired in young Ts65Dn mice, a genetic model of DS. We believe this impairment may reflect in part attention deficits, and we investigate the physiological, genetic, and pharmacological factors influencing its expression. Nesting behavior in young Ts65Dn mice was severely impaired when the animals were placed in a novel environment. But this context-dependent impairment was transient and reversible. The genetic determinants of this deficiency are restricted to a ∼100 gene segment on the murine chromosome 16. Nest building behavior is a highly integrated phenotypic trait that relies in part on limbic circuitry and on the frontal cortex in relation to cognitive and attention processes. We show that both serotonin content and 5HT2a receptors are increased in the frontal cortex of Ts65Dn mice and that pharmacological blockage of 5HT2a receptors in Ts65Dn mice rescues their context dependent nest building impairment. We propose that the nest-building trait could represent a marker of attention related deficits in DS models and could be of value in designing pharmacotherapies for this specific aspect of DS. 5HT2a modulation may improve goal-directed behavior in DS. Copyright © 2014 Elsevier Inc

  16. Processivity and collectivity of biomolecular motors extracting membrane nanotubes

    Science.gov (United States)

    Fontenele Araujo, Francisco; Storm, Cornelis

    2012-07-01

    Biomolecular motors can pull and viscously drag membranes. The resulting elongations include cell protrusions, tether networks, and sensorial tentacles. Here we focus on the extraction of a single tube from a vesicle. Via a force balance coupled to binding kinetics, we analytically determine the phase diagram of tube formation as function of the motor processivity, the surface viscosity of the membrane ηm', and the density of motors on the vesicle ρ. Three tubulation mechanisms are identified: (i) tip pulling, due to the accumulation of motors at the leading edge of the membrane, (ii) viscous drag, emergent from the translation of motors along the tube, and (iii) hybrid extraction, such that tip pulling and viscous drag are equally important. For experimental values of ηm' and ρ, we find that the growth of bionanotubes tends to be driven by viscous forces, whereas artificial membranes are dominated by tip pulling.

  17. Biomolecular Simulation of Base Excision Repair and Protein Signaling

    Energy Technology Data Exchange (ETDEWEB)

    Straatsma, TP; McCammon, J A; Miller, John H; Smith, Paul E; Vorpagel, Erich R; Wong, Chung F; Zacharias, Martin W

    2006-03-03

    The goal of the Biomolecular Simulation of Base Excision Repair and Protein Signaling project is to enhance our understanding of the mechanism of human polymerase-β, one of the key enzymes in base excision repair (BER) and the cell-signaling enzymes cyclic-AMP-dependent protein kinase. This work used molecular modeling and simulation studies to specifically focus on the • dynamics of DNA and damaged DNA • dynamics and energetics of base flipping in DNA • mechanism and fidelity of nucleotide insertion by BER enzyme human polymerase-β • mechanism and inhibitor design for cyclic-AMP-dependent protein kinase. Molecular dynamics simulations and electronic structure calculations have been performed using the computer resources at the Molecular Science Computing Facility at the Environmental Molecular Sciences Laboratory.

  18. Biomolecular Network-Based Synergistic Drug Combination Discovery

    Directory of Open Access Journals (Sweden)

    Xiangyi Li

    2016-01-01

    Full Text Available Drug combination is a powerful and promising approach for complex disease therapy such as cancer and cardiovascular disease. However, the number of synergistic drug combinations approved by the Food and Drug Administration is very small. To bridge the gap between urgent need and low yield, researchers have constructed various models to identify synergistic drug combinations. Among these models, biomolecular network-based model is outstanding because of its ability to reflect and illustrate the relationships among drugs, disease-related genes, therapeutic targets, and disease-specific signaling pathways as a system. In this review, we analyzed and classified models for synergistic drug combination prediction in recent decade according to their respective algorithms. Besides, we collected useful resources including databases and analysis tools for synergistic drug combination prediction. It should provide a quick resource for computational biologists who work with network medicine or synergistic drug combination designing.

  19. Techniques of biomolecular quantification through AMS detection of radiocarbon

    International Nuclear Information System (INIS)

    Vogel, S.J.; Turteltaub, K.W.; Frantz, C.; Felton, J.S.; Gledhill, B.L.

    1992-01-01

    Accelerator mass spectrometry offers a large gain over scintillation counting in sensitivity for detecting radiocarbon in biomolecular tracing. Application of this sensitivity requires new considerations of procedures to extract or isolate the carbon fraction to be quantified, to inventory all carbon in the sample, to prepare graphite from the sample for use in the spectrometer, and to derive a meaningful quantification from the measured isotope ratio. These procedures need to be accomplished without contaminating the sample with radiocarbon, which may be ubiquitous in laboratories and on equipment previously used for higher dose, scintillation experiments. Disposable equipment, materials and surfaces are used to control these contaminations. Quantification of attomole amounts of labeled substances are possible through these techniques

  20. Perspective: Markov models for long-timescale biomolecular dynamics

    International Nuclear Information System (INIS)

    Schwantes, C. R.; McGibbon, R. T.; Pande, V. S.

    2014-01-01

    Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is insufficient, as researchers must be able to transform the data in a simulation trajectory into specific scientific insights. Although this analysis step has often been taken for granted, it deserves further attention as large-scale simulations become increasingly routine. In this perspective, we discuss the application of Markov models to the analysis of large-scale biomolecular simulations. We draw attention to recent improvements in the construction of these models as well as several important open issues. In addition, we highlight recent theoretical advances that pave the way for a new generation of models of molecular kinetics

  1. SWISS-PROT: connecting biomolecular knowledge via a protein database.

    Science.gov (United States)

    Gasteiger, E; Jung, E; Bairoch, A

    2001-07-01

    With the explosive growth of biological data, the development of new means of data storage was needed. More and more often biological information is no longer published in the conventional way via a publication in a scientific journal, but only deposited into a database. In the last two decades these databases have become essential tools for researchers in biological sciences. Biological databases can be classified according to the type of information they contain. There are basically three types of sequence-related databases (nucleic acid sequences, protein sequences and protein tertiary structures) as well as various specialized data collections. It is important to provide the users of biomolecular databases with a degree of integration between these databases as by nature all of these databases are connected in a scientific sense and each one of them is an important piece to biological complexity. In this review we will highlight our effort in connecting biological information as demonstrated in the SWISS-PROT protein database.

  2. DNA-assisted swarm control in a biomolecular motor system.

    Science.gov (United States)

    Keya, Jakia Jannat; Suzuki, Ryuhei; Kabir, Arif Md Rashedul; Inoue, Daisuke; Asanuma, Hiroyuki; Sada, Kazuki; Hess, Henry; Kuzuya, Akinori; Kakugo, Akira

    2018-01-31

    In nature, swarming behavior has evolved repeatedly among motile organisms because it confers a variety of beneficial emergent properties. These include improved information gathering, protection from predators, and resource utilization. Some organisms, e.g., locusts, switch between solitary and swarm behavior in response to external stimuli. Aspects of swarming behavior have been demonstrated for motile supramolecular systems composed of biomolecular motors and cytoskeletal filaments, where cross-linkers induce large scale organization. The capabilities of such supramolecular systems may be further extended if the swarming behavior can be programmed and controlled. Here, we demonstrate that the swarming of DNA-functionalized microtubules (MTs) propelled by surface-adhered kinesin motors can be programmed and reversibly regulated by DNA signals. Emergent swarm behavior, such as translational and circular motion, can be selected by tuning the MT stiffness. Photoresponsive DNA containing azobenzene groups enables switching between solitary and swarm behavior in response to stimulation with visible or ultraviolet light.

  3. The biomolecular corona of nanoparticles in circulating biological media

    Science.gov (United States)

    Pozzi, D.; Caracciolo, G.; Digiacomo, L.; Colapicchioni, V.; Palchetti, S.; Capriotti, A. L.; Cavaliere, C.; Zenezini Chiozzi, R.; Puglisi, A.; Laganà, A.

    2015-08-01

    When nanoparticles come into contact with biological media, they are covered by a biomolecular `corona', which confers a new identity to the particles. In all the studies reported so far nanoparticles are incubated with isolated plasma or serum that are used as a model for protein adsorption. Anyway, bodily fluids are dynamic in nature so the question arises on whether the incubation protocol, i.e. dynamic vs. static incubation, could affect the composition and structure of the biomolecular corona. Here we let multicomponent liposomes interact with fetal bovine serum (FBS) both statically and dynamically, i.e. in contact with circulating FBS (~40 cm s-1). The structure and composition of the liposome-protein corona, as determined by dynamic light scattering, electrophoretic light scattering and liquid chromatography tandem mass spectrometry, were found to be dependent on the incubation protocol. Specifically, following dynamic exposure to FBS, multicomponent liposomes were less enriched in complement proteins and appreciably more enriched in apolipoproteins and acute phase proteins (e.g. alpha-1-antitrypsin and inter-alpha-trypsin inhibitor heavy chain H3) that are involved in relevant interactions between nanoparticles and living systems. Supported by our results, we speculate that efficient predictive modeling of nanoparticle behavior in vivo will require accurate knowledge of nanoparticle-specific protein fingerprints in circulating biological media.When nanoparticles come into contact with biological media, they are covered by a biomolecular `corona', which confers a new identity to the particles. In all the studies reported so far nanoparticles are incubated with isolated plasma or serum that are used as a model for protein adsorption. Anyway, bodily fluids are dynamic in nature so the question arises on whether the incubation protocol, i.e. dynamic vs. static incubation, could affect the composition and structure of the biomolecular corona. Here we let

  4. Review of MEMS differential scanning calorimetry for biomolecular study

    Science.gov (United States)

    Yu, Shifeng; Wang, Shuyu; Lu, Ming; Zuo, Lei

    2017-12-01

    Differential scanning calorimetry (DSC) is one of the few techniques that allow direct determination of enthalpy values for binding reactions and conformational transitions in biomolecules. It provides the thermodynamics information of the biomolecules which consists of Gibbs free energy, enthalpy and entropy in a straightforward manner that enables deep understanding of the structure function relationship in biomolecules such as the folding/unfolding of protein and DNA, and ligand bindings. This review provides an up to date overview of the applications of DSC in biomolecular study such as the bovine serum albumin denaturation study, the relationship between the melting point of lysozyme and the scanning rate. We also introduce the recent advances of the development of micro-electro-mechanic-system (MEMS) based DSCs.

  5. High-speed AFM for Studying Dynamic Biomolecular Processes

    Science.gov (United States)

    Ando, Toshio

    2008-03-01

    Biological molecules show their vital activities only in aqueous solutions. It had been one of dreams in biological sciences to directly observe biological macromolecules (protein, DNA) at work under a physiological condition because such observation is straightforward to understanding their dynamic behaviors and functional mechanisms. Optical microscopy has no sufficient spatial resolution and electron microscopy is not applicable to in-liquid samples. Atomic force microscopy (AFM) can visualize molecules in liquids at high resolution but its imaging rate was too low to capture dynamic biological processes. This slow imaging rate is because AFM employs mechanical probes (cantilevers) and mechanical scanners to detect the sample height at each pixel. It is quite difficult to quickly move a mechanical device of macroscopic size with sub-nanometer accuracy without producing unwanted vibrations. It is also difficult to maintain the delicate contact between a probe tip and fragile samples. Two key techniques are required to realize high-speed AFM for biological research; fast feedback control to maintain a weak tip-sample interaction force and a technique to suppress mechanical vibrations of the scanner. Various efforts have been carried out in the past decade to materialize high-speed AFM. The current high-speed AFM can capture images on video at 30-60 frames/s for a scan range of 250nm and 100 scan lines, without significantly disturbing week biomolecular interaction. Our recent studies demonstrated that this new microscope can reveal biomolecular processes such as myosin V walking along actin tracks and association/dissociation dynamics of chaperonin GroEL-GroES that occurs in a negatively cooperative manner. The capacity of nanometer-scale visualization of dynamic processes in liquids will innovate on biological research. In addition, it will open a new way to study dynamic chemical/physical processes of various phenomena that occur at the liquid-solid interfaces.

  6. Integration of biomolecular logic gates with field-effect transducers

    International Nuclear Information System (INIS)

    Poghossian, A.; Malzahn, K.; Abouzar, M.H.; Mehndiratta, P.; Katz, E.; Schoening, M.J.

    2011-01-01

    Highlights: → Enzyme-based AND/OR logic gates are integrated with a capacitive field-effect sensor. → The AND/OR logic gates compose of multi-enzyme system immobilised on sensor surface. → Logic gates were activated by different combinations of chemical inputs (analytes). → The logic output (pH change) produced by the enzymes was read out by the sensor. - Abstract: The integration of biomolecular logic gates with field-effect devices - the basic element of conventional electronic logic gates and computing - is one of the most attractive and promising approaches for the transformation of biomolecular logic principles into macroscopically useable electrical output signals. In this work, capacitive field-effect EIS (electrolyte-insulator-semiconductor) sensors based on a p-Si-SiO 2 -Ta 2 O 5 structure modified with a multi-enzyme membrane have been used for electronic transduction of biochemical signals processed by enzyme-based OR and AND logic gates. The realised OR logic gate composes of two enzymes (glucose oxidase and esterase) and was activated by ethyl butyrate or/and glucose. The AND logic gate composes of three enzymes (invertase, mutarotase and glucose oxidase) and was activated by two chemical input signals: sucrose and dissolved oxygen. The developed integrated enzyme logic gates produce local pH changes at the EIS sensor surface as a result of biochemical reactions activated by different combinations of chemical input signals, while the pH value of the bulk solution remains unchanged. The pH-induced charge changes at the gate-insulator (Ta 2 O 5 ) surface of the EIS transducer result in an electronic signal corresponding to the logic output produced by the immobilised enzymes. The logic output signals have been read out by means of a constant-capacitance method.

  7. Integration of biomolecular logic gates with field-effect transducers

    Energy Technology Data Exchange (ETDEWEB)

    Poghossian, A., E-mail: a.poghossian@fz-juelich.de [Institute of Nano- and Biotechnologies, Aachen University of Applied Sciences, Campus Juelich, Heinrich-Mussmann-Str. 1, D-52428 Juelich (Germany); Institute of Bio- and Nanosystems, Research Centre Juelich GmbH, D-52425 Juelich (Germany); Malzahn, K. [Institute of Nano- and Biotechnologies, Aachen University of Applied Sciences, Campus Juelich, Heinrich-Mussmann-Str. 1, D-52428 Juelich (Germany); Abouzar, M.H. [Institute of Nano- and Biotechnologies, Aachen University of Applied Sciences, Campus Juelich, Heinrich-Mussmann-Str. 1, D-52428 Juelich (Germany); Institute of Bio- and Nanosystems, Research Centre Juelich GmbH, D-52425 Juelich (Germany); Mehndiratta, P. [Institute of Nano- and Biotechnologies, Aachen University of Applied Sciences, Campus Juelich, Heinrich-Mussmann-Str. 1, D-52428 Juelich (Germany); Katz, E. [Department of Chemistry and Biomolecular Science, NanoBio Laboratory (NABLAB), Clarkson University, Potsdam, NY 13699-5810 (United States); Schoening, M.J. [Institute of Nano- and Biotechnologies, Aachen University of Applied Sciences, Campus Juelich, Heinrich-Mussmann-Str. 1, D-52428 Juelich (Germany); Institute of Bio- and Nanosystems, Research Centre Juelich GmbH, D-52425 Juelich (Germany)

    2011-11-01

    Highlights: > Enzyme-based AND/OR logic gates are integrated with a capacitive field-effect sensor. > The AND/OR logic gates compose of multi-enzyme system immobilised on sensor surface. > Logic gates were activated by different combinations of chemical inputs (analytes). > The logic output (pH change) produced by the enzymes was read out by the sensor. - Abstract: The integration of biomolecular logic gates with field-effect devices - the basic element of conventional electronic logic gates and computing - is one of the most attractive and promising approaches for the transformation of biomolecular logic principles into macroscopically useable electrical output signals. In this work, capacitive field-effect EIS (electrolyte-insulator-semiconductor) sensors based on a p-Si-SiO{sub 2}-Ta{sub 2}O{sub 5} structure modified with a multi-enzyme membrane have been used for electronic transduction of biochemical signals processed by enzyme-based OR and AND logic gates. The realised OR logic gate composes of two enzymes (glucose oxidase and esterase) and was activated by ethyl butyrate or/and glucose. The AND logic gate composes of three enzymes (invertase, mutarotase and glucose oxidase) and was activated by two chemical input signals: sucrose and dissolved oxygen. The developed integrated enzyme logic gates produce local pH changes at the EIS sensor surface as a result of biochemical reactions activated by different combinations of chemical input signals, while the pH value of the bulk solution remains unchanged. The pH-induced charge changes at the gate-insulator (Ta{sub 2}O{sub 5}) surface of the EIS transducer result in an electronic signal corresponding to the logic output produced by the immobilised enzymes. The logic output signals have been read out by means of a constant-capacitance method.

  8. Main-chain supramolecular block copolymers.

    Science.gov (United States)

    Yang, Si Kyung; Ambade, Ashootosh V; Weck, Marcus

    2011-01-01

    Block copolymers are key building blocks for a variety of applications ranging from electronic devices to drug delivery. The material properties of block copolymers can be tuned and potentially improved by introducing noncovalent interactions in place of covalent linkages between polymeric blocks resulting in the formation of supramolecular block copolymers. Such materials combine the microphase separation behavior inherent to block copolymers with the responsiveness of supramolecular materials thereby affording dynamic and reversible materials. This tutorial review covers recent advances in main-chain supramolecular block copolymers and describes the design principles, synthetic approaches, advantages, and potential applications.

  9. The quest for modular nanocages: Tbo -MOF as an archetype for mutual substitution, functionalization, and expansion of quadrangular pillar building blocks

    KAUST Repository

    Eubank, Jarrod F.

    2011-09-14

    A new blueprint network for the design and synthesis of porous, functional 3D metal-organic frameworks (MOFs) has been identified, namely, the tbo net. Accordingly, tbo-MOFs based on this unique (3,4)-connected net can be exclusively constructed utilizing a combination of well-known and readily targeted [M(R-BDC)]n MOF layers [i.e., supermolecular building layers (SBLs)] based on the edge-transitive 4,4 square lattice (sql) (i.e., 2D four-building units) and a novel pillaring strategy based on four proximal isophthalate ligands from neighboring SBL membered rings (i.e., two pairs from each layer) covalently cross-linked through an organic quadrangular core (e.g., tetrasubstituted benzene). Our strategy permits the rational design and synthesis of isoreticular structures, functionalized and/or expanded, that possess extra-large nanocapsule-like cages, high porosity, and potential for gas separation and storage, among others. Thus, tbo-MOF serves as an archetypal tunable, isoreticular MOF platform for targeting desired applications. © 2011 American Chemical Society.

  10. Proceedings of the international advisory committee on 'biomolecular dynamics instrument DNA' and the workshop on 'biomolecular dynamics backscattering spectrometers'

    International Nuclear Information System (INIS)

    Arai, Masatoshi; Aizawa, Kazuya; Nakajima, Kenji; Shibata, Kaoru; Takahashi, Nobuaki

    2008-08-01

    A workshop entitled 'Biomolecular Dynamics Backscattering Spectrometers' was held on February 27th - 29th, 2008 at J-PARC Center, Japan Atomic Energy Agency. This workshop was planned to be held for aiming to realize an innovative neutron backscattering instrument, namely DNA, in the MLF and thus four leading scientists in the field of neutron backscattering instruments were invited as the International Advisory Committee (IAC member: Dr. Dan Neumann (Chair); Prof. Ferenc Mezei; Dr. Hannu Mutka; Dr. Philip Tregenna-Piggott) for DNA from institutes in the United States, France and Switzerland, where backscattering instruments are in-service. It was therefore held in the form of lecture anterior and then in the form of the committee posterior. This report includes the executive summary of the IAC and materials of the presentations in the IAC and the workshop. (author)

  11. Smoothing of geoelectrical resistivity profiles in order to build a 3D model: A case study from an outcropping limestone block

    Science.gov (United States)

    Tóth, Krisztina; Kovács, Gábor

    2014-05-01

    Geoelectrical imaging is one of the most common survey methods in the field of shallow geophysics. In order to get information from the subsurface electric current is induced into the ground. In our summer camp organized by the Department of Geophysics and Space Sciences, Eötvös Loránd University we have carried out resistivity surveys to get more accurate information about the lithology of the Dorog basin located in the Transdanubian range, Middle Hungary. This study focused on the outcropping limestone block located next to the village Leányvár in the Dorog basin. The main aim of the research is the impoundment of the subsurface continuation of the limestone outcrop. Cable problems occurred during field survey therefore the dataset obtained by the measurement have become very noisy thus we had to gain smoothed data with the appropriate editing steps. The goal was to produce an optimized model to demonstrate the reality beneath the subsurface. In order to achieve better results from the noisy dataset we changed some parameters based on the description of the program. Whereas cable problems occurred we exterminated the bad datum points visually and statistically as well. Because of the noisiness we increased the value of the so called damping factor which is a variable parameter in the equation used by the inversion routine responsible for smoothing the data. The limitation of the range of model resistivity values based on our knowledge about geological environment was also necessary in order to avoid physically unrealistic results. The purpose of the modification was to obtain smoothed and more interpretable geoelectric profiles. The geological background combined with the explanation of the profiles gave us the approximate location of the block. In the final step of the research we created a 3D model with proper location and smoothed resistivity data included. This study was supported by the Hungarian Scientific Research Fund (OTKA NK83400) and was realized

  12. Hexatungstate subunit as building block in the hydrothermal synthesis of organic-inorganic hybrid materials: synthesis, structure and optical properties of Co2(bpy)6 (W6O19)2 (bpy=4,4'-bipyridine)

    International Nuclear Information System (INIS)

    Zhang Lijuan; Wei Yongge; Wang Chongchen; Guo Hongyou; Wang Ping

    2004-01-01

    A hydrothermal reaction of WO 3 , CoCl 2 and 4,4'-bipyridine, yields a novel organic-inorganic hybrid compound, Co 2 (bpy) 6 (W 6 O 19 ) 2 , at 170 deg. C. X-ray single crystal structure determination reveals a two-dimensional covalent structure belonging to monoclinic crystal system, space group C2/c, with cell parameters a=19.971(4) A, b=11.523(2) A, c=16.138(3) A, β=96.49(3) deg., V=3690.0 A 3 and Z=2. The hexatungstate, [W 6 O 19 ] 2- , acts as a building block in bidentate fashion to bridge the Co(II) centers in the crystal structure. The title compound is found to have an optical energy gap of 2.2 eV from UV-Vis-NIR reflectance spectra

  13. QM/MM based fitting of atomic polarizabilities for use in condensed-phase biomolecular simulation

    NARCIS (Netherlands)

    Vosmeer, C.R.; Rustenburg, A.S.; Rice, J.E.; Horn, H.W.; Swope, W.C.; Geerke, D.P.

    2012-01-01

    Accounting for electronic polarization effects in biomolecular simulation (by using a polarizable force field) can increase the accuracy of simulation results. However, the use of gas-phase estimates of atomic polarizabilities α

  14. Bonding and magnetic response properties of several toroid structures. Insights of the role of Ni2S2 as a building block from relativistic density functional theory calculations.

    Science.gov (United States)

    Muñoz-Castro, Alvaro

    2011-10-06

    Relativistic density functional calculations were carried out on several nickel toroid mercaptides of the general formula [Ni(μ-SR)(2)](n), with the aim to characterize and analyze their stability and magnetic response properties, in order to gain more insights into their stabilization and size-dependent behavior. The Ni-ligand interaction has been studied by means projected density of states and energy decomposition analysis, which denotes its stabilizing character. The graphical representation of the response to an external magnetic field is applied for the very first time taking into account the spin-orbit term. This map allows one to clearly characterize the magnetic behavior inside and in the closeness of the toroid structure showing the prescence of paratropic ring currents inside the Ni(n) ring, and by contrast, diatropic currents confined in each Ni(2)S(2) motif denoting an aromatic behavior (in terms of magnetic criteria). The calculated data suggests that the Ni(2)S(2) moiety can be regarded as a stable constructing block, which can afford several toroid structures of different nuclearities in agreement with that reported in the experimental literature. In addition, the effects of the relativistic treatment over the magnetic response properties on these lighter compounds are denoted by comparing nonrelativistic, scalar relativistic, and scalar plus spin-orbit relativistic treatments, showing their acting, although nonpronunced, role.

  15. Camelid Single-Domain Antibodies (VHHs against Crotoxin: A Basis for Developing Modular Building Blocks for the Enhancement of Treatment or Diagnosis of Crotalic Envenoming

    Directory of Open Access Journals (Sweden)

    Marcos B. Luiz

    2018-03-01

    Full Text Available Toxic effects triggered by crotalic envenoming are mainly related to crotoxin (CTX, composed of a phospholipase A2 (CB and a subunit with no toxic activity (CA. Camelids produce immunoglobulins G devoid of light chains, in which the antigen recognition domain is called VHH. Given their unique characteristics, VHHs were selected using Phage Display against CTX from Crotalus durissus terrificus. After three rounds of biopanning, four sequence profiles for CB (KF498602, KF498603, KF498604, and KF498605 and one for CA (KF498606 were revealed. All clones presented the VHH hallmark in FR2 and a long CDR3, with the exception of KF498606. After expressing pET22b-VHHs in E. coli, approximately 2 to 6 mg of protein per liter of culture were obtained. When tested for cross-reactivity, VHHs presented specificity for the Crotalus genus and were capable of recognizing CB through Western blot. KF498602 and KF498604 showed thermostability, and displayed affinity constants for CTX in the micro or nanomolar range. They inhibited in vitro CTX PLA2 activity, and CB cytotoxicity. Furthermore, KF498604 inhibited the CTX-induced myotoxicity in mice by 78.8%. Molecular docking revealed that KF498604 interacts with the CA–CB interface of CTX, seeming to block substrate access. Selected VHHs may be alternatives for the crotalic envenoming treatment.

  16. Structure of long human telomeric RNA (TERRA): G-quadruplexes formed by four and eight UUAGGG repeats are stable building blocks.

    Science.gov (United States)

    Martadinata, Herry; Heddi, Brahim; Lim, Kah Wai; Phan, Anh Tuân

    2011-07-26

    The discovery of long RNA transcripts of telomeric repeats (TERRA) and their potential to form G-quadruplexes stimulated studies on the possible arrangements of G-quadruplexes along TERRA. Here we performed ribonuclease protection assay to investigate the structures formed by long human TERRA. We found that G-quadruplexes comprising four and eight UUAGGG repeats were most resistant to RNase T1 digestion, presumably with the former adopting an all-parallel-stranded propeller-type conformation and the latter forming a structure with two tandemly stacked G-quadruplex subunits each containing three G-tetrad layers. Molecular dynamics simulations of eight-repeat human TERRA sequences consisting of different stacking interfaces between the two G-quadruplex subunits, i.e., 5'-5', 3'-3', 3'-5', and 5'-3', demonstrated stacking feasibility for all but the 5'-3' arrangement. A continuous stacking of the loop bases from one G-quadruplex subunit to the next was observed for the 5'-5' stacking conformation. We also put forward other possible stacking arrangements that involve more than one linker connecting the two G-quadruplex subunits. On the basis of these results, we propose a "beads-on-a-string"-like arrangement along human TERRA, whereby each bead is made up of either four or eight UUAGGG repeats in a one- or two-block G-quadruplex arrangement, respectively. © 2011 American Chemical Society

  17. hPDB – Haskell library for processing atomic biomolecular structures in protein data bank format

    OpenAIRE

    Gajda, Michał Jan

    2013-01-01

    Background Protein DataBank file format is used for the majority of biomolecular data available today. Haskell is a lazy functional language that enjoys a high-level class-based type system, a growing collection of useful libraries and a reputation for efficiency. Findings I present a fast library for processing biomolecular data in the Protein Data Bank format. I present benchmarks indicating that this library is faster than other frequently used Protein Data Bank parsing programs. The propo...

  18. A compact hard X-ray source for medical imaging and biomolecular studies

    International Nuclear Information System (INIS)

    Cline, D.B.; Green, M.A.; Kolonko, J.

    1995-01-01

    There are a large number of synchrotron light sources in the world. However, these sources are designed for physics, chemistry, and engineering studies. To our knowledge, none have been optimized for either medical imaging or biomolecular studies. There are special needs for these applications. We present here a preliminary design of a very compact source, small enough for a hospital or a biomolecular laboratory, that is suitable for these applications. (orig.)

  19. Fueling and Stabilizing a Biomolecular Motor-Powered Biosensor for Remote Detection Scenarios

    Science.gov (United States)

    2007-10-01

    National Lab, Naval Research Lab, ETH Zurich, AECOM New York) is to demonstrate a biomolecular motor-powered "smart dust" biosensor, which can be read...and Florida Society for Microscopy, Orlando, FL, (2006), invited H. Hess: "From Molecular Robotics to Active Self -assembly: Biomolecular Motors do the...as "hooks" which gain strength under load, DNA-DNA linkages act like " adhesive tape", and Nickel-His-tag linkages resemble "magnets". Translating the

  20. Building blocks for a precautionary approach to the use of nanomaterials: positions taken by trade unions and environmental NGOs in the European nanotechnologies debate.

    Science.gov (United States)

    van Broekhuizen, Pieter; Reijnders, Lucas

    2011-10-01

    As partners in the European capacity-building project NanoCap, trade unions and environmental nongovernmental organizations (NGOs) have established positions on the development of nanotechnologies. Key in their positioning is their view that the use of nanomaterials with currently unknown occupational and environmental hazards must have consequences for the risk management and use of nanoproducts. They have made proposals for responsible manufacturing and for applying the precautionary principle to the use of nanoproducts and they urgently call for the acceptance and the operationalization of a precautionary approach by the industry and governments. The trade unions and NGOs are calling for transparency and openness regarding processes and products that contain nanomaterials and have proposed specific tools for nanomaterial use that put the precautionary principle into practice, including the principles no data → no exposure and no data → no emission. The proposed tools also include compulsory reporting of the type and content of nanoparticles applied in products, a register of workers possibly exposed to nanoparticles, and the use of nano reference values as guides to assess workplace exposure to nanoparticles. © 2011 Society for Risk Analysis.

  1. Learning Drupal 8 create complex websites quickly and easily using the building blocks of Drupal 8, the most powerful version of Drupal yet

    CERN Document Server

    Abbott, Nick

    2016-01-01

    About This Book : Build complete, complex websites with no prior knowledge of web development entirely using the intuitive Drupal user interface ; Follow a practical case study chapter-by-chapter to construct a complete website as you progress ; Ensure your sites are modern, responsive and mobile-friendly through utilizing the full features available in Drupal 8. Who This Book Is For : If you want to learn to use Drupal 8 for the first time, or you are transitioning over from a previous version of Drupal, this is the book for you. No knowledge of PHP, MySQL, or HTML is assumed or required. What You Will Learn : Set up a local “stack” development environment and install your first Drupal 8 site ; Find out what is available in Drupal 8 core Define content types and taxonomies―and find out when you should do so ; Use the powerful Views module ; Get hands-on with image and media handling ; Extend Drupal using custom community modules ; Develop the look and feel of your website using Drupal themes ; M...

  2. Biocalcite, a multifunctional inorganic polymer: Building block for calcareous sponge spicules and bioseed for the synthesis of calcium phosphate-based bone

    Directory of Open Access Journals (Sweden)

    Xiaohong Wang

    2014-05-01

    Full Text Available Calcium carbonate is the material that builds up the spicules of the calcareous sponges. Recent results revealed that the calcium carbonate/biocalcite-based spicular skeleton of these animals is formed through an enzymatic mechanism, such as the skeleton of the siliceous sponges, evolutionarily the oldest animals that consist of biosilica. The enzyme that mediates the calcium carbonate deposition has been identified as a carbonic anhydrase (CA and has been cloned from the calcareous sponge species Sycon raphanus. Calcium carbonate deposits are also found in vertebrate bones besides the main constituent, calcium phosphate/hydroxyapatite (HA. Evidence has been presented that during the initial phase of HA synthesis poorly crystalline carbonated apatite is deposited. Recent data summarized here indicate that during early bone formation calcium carbonate deposits enzymatically formed by CA, act as potential bioseeds for the precipitation of calcium phosphate mineral onto bone-forming osteoblasts. Two different calcium carbonate phases have been found during CA-driven enzymatic calcium carbonate deposition in in vitro assays: calcite crystals and round-shaped vaterite deposits. The CA provides a new target of potential anabolic agents for treatment of bone diseases; a first CA activator stimulating the CA-driven calcium carbonate deposition has been identified. In addition, the CA-driven calcium carbonate crystal formation can be frozen at the vaterite state in the presence of silintaphin-2, an aspartic acid/glutamic acid-rich sponge-specific protein. The discovery that calcium carbonate crystals act as bioseeds in human bone formation may allow the development of novel biomimetic scaffolds for bone tissue engineering. Na-alginate hydrogels, enriched with biosilica, have recently been demonstrated as a suitable matrix to embed bone forming cells for rapid prototyping bioprinting/3D cell printing applications.

  3. Self-assembling biomolecular catalysts for hydrogen production

    Science.gov (United States)

    Jordan, Paul C.; Patterson, Dustin P.; Saboda, Kendall N.; Edwards, Ethan J.; Miettinen, Heini M.; Basu, Gautam; Thielges, Megan C.; Douglas, Trevor

    2016-02-01

    The chemistry of highly evolved protein-based compartments has inspired the design of new catalytically active materials that self-assemble from biological components. A frontier of this biodesign is the potential to contribute new catalytic systems for the production of sustainable fuels, such as hydrogen. Here, we show the encapsulation and protection of an active hydrogen-producing and oxygen-tolerant [NiFe]-hydrogenase, sequestered within the capsid of the bacteriophage P22 through directed self-assembly. We co-opted Escherichia coli for biomolecular synthesis and assembly of this nanomaterial by expressing and maturing the EcHyd-1 hydrogenase prior to expression of the P22 coat protein, which subsequently self assembles. By probing the infrared spectroscopic signatures and catalytic activity of the engineered material, we demonstrate that the capsid provides stability and protection to the hydrogenase cargo. These results illustrate how combining biological function with directed supramolecular self-assembly can be used to create new materials for sustainable catalysis.

  4. Biomolecular immunoreactivity factor in antibody labelling design for potent radiopharmaceutical

    International Nuclear Information System (INIS)

    Best, M.P.

    1990-01-01

    Biomolecular factors' importance in optimum immunoconjugate design when high specific labelling is attempted is discussed. High specific labelling allows a small dose to be administered avoiding saturating antigen binding sites and to compensate for loss of bivalency etc. upon fragmentation. Clinical therapeutic and diagnostic applications result in adverse toxicity and poor scintigraphic resolution from the corrupted distribution upon labelling. DTPA is a strong chelator and forms a tight sequestering cryptate structure of small dimensions with the radioactive metals Tc-99m and In-111. Size severely affects permeability with reticuloendothelial accumulation. Compact scaled radiolabels are advantageous as potent payload moieties for radiotherapy as well as imaging. The antibody binding site requires close surface contact with its epitope to effect the specificity of immunoreaction. Binding site exposure to coupling chemistry can be directed via affinity purification methodology. The globular antibody with an amphiphilic structure presents conformed surface chemistry and is relatively inert requiring excess reaction stoichiometry. Radiolabelled antibodies to calcitonin (a 32 aminoacid polypeptide ectopic lung tumor antigen) in a solid phase immunoreactivity assay demonstrate 48 hours for 90% uptake. Site directed radiolabelling is of interest in preservation of immunoreactivity in protein engineering. 19 refs., 8 figs

  5. Spin valve sensor for biomolecular identification: Design, fabrication, and characterization

    Science.gov (United States)

    Li, Guanxiong

    Biomolecular identification, e.g., DNA recognition, has broad applications in biology and medicine such as gene expression analysis, disease diagnosis, and DNA fingerprinting. Therefore, we have been developing a magnetic biodetection technology based on giant magnetoresistive spin valve sensors and magnetic nanoparticle (developed for the magnetic nanoparticle detection, assuming the equivalent average field of magnetic nanoparticles and the coherent rotation of spin valve free layer magnetization. Micromagnetic simulations have also been performed for the spin valve sensors. The analytical model and micromagnetic simulations are found consistent with each other and are in good agreement with experiments. The prototype spin valve sensors have been fabricated at both micron and submicron scales. We demonstrated the detection of a single 2.8-mum magnetic microbead by micron-sized spin valve sensors. Based on polymer-mediated self-assembly and fine lithography, a bilayer lift-off process was developed to deposit magnetic nanoparticles onto the sensor surface in a controlled manner. With the lift-off deposition method, we have successfully demonstrated the room temperature detection of monodisperse 16-nm Fe3O 4 nanoparticles in a quantity from a few tens to several hundreds by submicron spin valve sensors, proving the feasibility of the nanoparticle detection. As desired for quantitative biodetection, a fairly linear dependence of sensor signal on the number of nanoparticles has been confirmed. The initial detection of DNA hybridization events labeled by magnetic nanoparticles further proved the magnetic biodetection concept.

  6. Dose controlled low energy electron irradiator for biomolecular films.

    Science.gov (United States)

    Kumar, S V K; Tare, Satej T; Upalekar, Yogesh V; Tsering, Thupten

    2016-03-01

    We have developed a multi target, Low Energy Electron (LEE), precise dose controlled irradiator for biomolecular films. Up to seven samples can be irradiated one after another at any preset electron energy and dose under UHV conditions without venting the chamber. In addition, one more sample goes through all the steps except irradiation, which can be used as control for comparison with the irradiated samples. All the samples are protected against stray electron irradiation by biasing them at -20 V during the entire period, except during irradiation. Ethernet based communication electronics hardware, LEE beam control electronics and computer interface were developed in house. The user Graphical User Interface to control the irradiation and dose measurement was developed using National Instruments Lab Windows CVI. The working and reliability of the dose controlled irradiator has been fully tested over the electron energy range of 0.5 to 500 eV by studying LEE induced single strand breaks to ΦX174 RF1 dsDNA.

  7. Imaging and chemical surface analysis of biomolecular functionalization of monolithically integrated on silicon Mach-Zehnder interferometric immunosensors

    Energy Technology Data Exchange (ETDEWEB)

    Gajos, Katarzyna, E-mail: kasia.fornal@uj.edu.pl [M. Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków (Poland); Angelopoulou, Michailia; Petrou, Panagiota [Institute of Nuclear & Radiological Sciences & Technology, Energy & Safety, NCSR Demokritos, P. Grigoriou & Neapoleos St, Aghia Paraksevi 15310, Athens (Greece); Awsiuk, Kamil [M. Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków (Poland); Kakabakos, Sotirios [Institute of Nuclear & Radiological Sciences & Technology, Energy & Safety, NCSR Demokritos, P. Grigoriou & Neapoleos St, Aghia Paraksevi 15310, Athens (Greece); Haasnoot, Willem [RIKILT Wageningen UR, Akkermaalsbos 2, 6708 WB Wageningen (Netherlands); Bernasik, Andrzej [Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Mickiewicza 30, 30-059 Kraków (Poland); Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Mickiewicza 30, 30-059 Kraków (Poland); Rysz, Jakub [M. Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków (Poland); Marzec, Mateusz M. [Academic Centre for Materials and Nanotechnology, AGH University of Science and Technology, Mickiewicza 30, 30-059 Kraków (Poland); Misiakos, Konstantinos; Raptis, Ioannis [Department of Microelectronics, Institute of Nanoscience and Nanotechnology, NCSR Demokritos, P. Grigoriou & Neapoleos St, Aghia Paraksevi 15310, Athens (Greece); Budkowski, Andrzej [M. Smoluchowski Institute of Physics, Jagiellonian University, Łojasiewicza 11, 30-348 Kraków (Poland)

    2016-11-01

    Highlights: • Optimization of probe immobilization with robotic spotter printing overlapping spots. • In-situ inspection of microstructured surfaces of biosensors integrated on silicon. • Imaging and chemical analysis of immobilization, surface blocking and immunoreaction. • Insight with molecular discrimination into step-by-step sensor surface modifications. • Optimized biofunctionalization improves sensor sensitivity and response repeatability. - Abstract: Time-of-flight secondary ion mass spectrometry (imaging, micro-analysis) has been employed to evaluate biofunctionalization of the sensing arm areas of Mach-Zehnder interferometers monolithically integrated on silicon chips for the immunochemical (competitive) detection of bovine κ-casein in goat milk. Biosensor surfaces are examined after: modification with (3-aminopropyl)triethoxysilane, application of multiple overlapping spots of κ-casein solutions, blocking with 100-times diluted goat milk, and reaction with monoclonal mouse anti-κ-casein antibodies in blocking solution. The areas spotted with κ-casein solutions of different concentrations are examined and optimum concentration providing homogeneous coverage is determined. Coverage of biosensor surfaces with biomolecules after each of the sequential steps employed in immunodetection is also evaluated with TOF-SIMS, supplemented by Atomic force microscopy and X-ray photoelectron spectroscopy. Uniform molecular distributions are observed on the sensing arm areas after spotting with optimum κ-casein concentration, blocking and immunoreaction. The corresponding biomolecular compositions are determined with a Principal Component Analysis that distinguished between protein amino acids and milk glycerides, as well as between amino acids characteristic for Mabs and κ-casein, respectively. Use of the optimum conditions (κ-casein concentration) for functionalization of chips with arrays of ten Mach-Zehnder interferometers provided on-chips assays

  8. Development of two Danish building typologies for residential buildings

    DEFF Research Database (Denmark)

    Kragh, Jesper; Wittchen, Kim Bjarne

    2014-01-01

    building types: single-family houses, terraced houses and blocks of flats. Each main building type is presented for nine periods representing age, typical building tradition and insulation levels. Finally, an energy balance model of the residential building stock was devised to validate the average...

  9. quality assessment of sandcrete blocks produced in adeta, kwara ...

    African Journals Online (AJOL)

    HOD

    The durability of a building is determined to a great extent by the quality of materials used in its construction. Sandcrete block is a major building material in Nigeria. This research assessed the quality of blocks produced in. Adeta, Ilorin West Local Government Area of Kwara State, Nigeria. Eight block factories were selected ...

  10. Scanning probe and micropatterning approaches for biomolecular screening applications

    Energy Technology Data Exchange (ETDEWEB)

    Wilde, Lisa M

    2002-07-01

    Force mapping using atomic force microscopy (AFM) allows for the simultaneous acquisition of topography and probe-sample interaction data. For example, AFM probes functionalised with an antigen can be employed to map the spatial distribution of recognition events on a substrate functionalised with the complementary specific antibody. However, this technique is currently limited to the detection of a single receptor-ligand species. Were the detection of multiple receptor-ligand interactions possible, AFM force mapping would offer greater scope as a sensitive tool for bioassay and screening applications. This thesis outlines developments in probe and substrate immobilisation methods to facilitate this process. We have developed an immobilisation strategy, which allows two antigen species, human serum albumin (HSA) and the beta subunit of human chorionic gonadotropin ({beta}hCG) to be simultaneously present on an AFM probe. Single point force spectroscopy results have revealed the ability of such probes to discriminate between their corresponding antibodies (anti-HSA and anti-{beta}hCG lgG antibodies). In addition, these antibodies have been employed in the fabrication of a 2-D biomolecular array using microfluidic network patterning. The formed chequered pattern was visualised with fluorescence microscopy using fluorescently tagged anti-IgG antibodies. In parallel with such developments we have employed AFM force volume imaging to investigate the distribution of antigen binding sites on an antibody functionalised substrate. Highly resolved adhesion maps were obtained of surfaces functionalised with anti-HSA lgG antibodies using HSA functionalised AFM probes, adopting the sample molecular tether immobilisation strategy employed in the single point force spectroscopy investigations. The observed forces were seen to be comparable with previous investigations. The addition of free HSA into the system was found to result in a significant reduction in the number of

  11. Evolution of biomolecular loadings along a major river system

    Science.gov (United States)

    Freymond, Chantal V.; Kündig, Nicole; Stark, Courcelle; Peterse, Francien; Buggle, Björn; Lupker, Maarten; Plötze, Michael; Blattmann, Thomas M.; Filip, Florin; Giosan, Liviu; Eglinton, Timothy I.

    2018-02-01

    Understanding the transport history and fate of organic carbon (OC) within river systems is crucial in order to constrain the dynamics and significance of land-ocean interactions as a component of the global carbon cycle. Fluvial export and burial of terrestrial OC in marine sediments influences atmospheric CO2 over a range of timescales, while river-dominated sedimentary sequences can provide valuable archives of paleoenvironmental information. While there is abundant evidence that the association of organic matter (OM) with minerals exerts an important influence on its stability as well as hydrodynamic behavior in aquatic systems, there is a paucity of information on where such associations form and how they evolve during fluvial transport. Here, we track total organic carbon (TOC) and terrestrial biomarker concentrations (plant wax-derived long-chain fatty acids (FA), branched glycerol dialkyl glycerol tetraethers (brGDGTs) and lignin-derived phenols) in sediments collected along the entire course of the Danube River system in the context of sedimentological parameters. Mineral-specific surface area-normalized biomarker and TOC concentrations show a systematic decrease from the upper to the lower Danube basin. Changes in OM loading of the available mineral phase correspond to a net decrease of 70-80% of different biomolecular components. Ranges for biomarker loadings on Danube River sediments, corresponding to 0.4-1.5 μgFA/m2 for long-chain (n-C24-32) fatty acids and 17-71 ngbrGDGT/m2 for brGDGTs, are proposed as a benchmark for comparison with other systems. We propose that normalizing TOC as well as biomarker concentrations to mineral surface area provides valuable quantitative constraints on OM dynamics and organo-mineral interactions during fluvial transport from terrigenous source to oceanic sink.

  12. Biomolecular detection using a metal semiconductor field effect transistor

    Science.gov (United States)

    Estephan, Elias; Saab, Marie-Belle; Buzatu, Petre; Aulombard, Roger; Cuisinier, Frédéric J. G.; Gergely, Csilla; Cloitre, Thierry

    2010-04-01

    In this work, our attention was drawn towards developing affinity-based electrical biosensors, using a MESFET (Metal Semiconductor Field Effect Transistor). Semiconductor (SC) surfaces must be prepared before the incubations with biomolecules. The peptides route was adapted to exceed and bypass the limits revealed by other types of surface modification due to the unwanted unspecific interactions. As these peptides reveal specific recognition of materials, then controlled functionalization can be achieved. Peptides were produced by phage display technology using a library of M13 bacteriophage. After several rounds of bio-panning, the phages presenting affinities for GaAs SC were isolated; the DNA of these specific phages were sequenced, and the peptide with the highest affinity was synthesized and biotinylated. To explore the possibility of electrical detection, the MESFET fabricated with the GaAs SC were used to detect the streptavidin via the biotinylated peptide in the presence of the bovine Serum Albumin. After each surface modification step, the IDS (current between the drain and the source) of the transistor was measured and a decrease in the intensity was detected. Furthermore, fluorescent microscopy was used in order to prove the specificity of this peptide and the specific localisation of biomolecules. In conclusion, the feasibility of producing an electrical biosensor using a MESFET has been demonstrated. Controlled placement, specific localization and detection of biomolecules on a MESFET transistor were achieved without covering the drain and the source. This method of functionalization and detection can be of great utility for biosensing application opening a new way for developing bioFETs (Biomolecular Field-Effect Transistor).

  13. Bases biomoleculares do fotoenvelhecimento Molecular basis of photoaging

    Directory of Open Access Journals (Sweden)

    Suelen Montagner

    2009-07-01

    Full Text Available Com o aumento da expectativa de vida, o estudo do processo de envelhecimento orgânico tem sido estimulado. O envelhecimento da pele, órgão que espelha os sinais do tempo, é processo de deterioração progressiva, tempo-dependente, e pode ser intensificado pela exposição solar, então designado fotoenvelhecimento. O dano das radiações sobre diversas estruturas celulares e cutâneas leva a alterações morfológicas nesses componentes, fruto de modificações biomoleculares. Muitas pesquisas são desenvolvidas com o intuito de combater ou minimizar os efeitos do fotoenvelhecimento, porém a principal estratégia nesse sentido continua sendo a prevenção, só conseguida pelo progressivo desvendar dos mecanismos fisiopatogênicos envolvidos nesse processo.As a result of the increase in life expectancy, the study of the organic process of aging has been stimulated. Skin ageing, which reflects the signs of time, is a time-dependent process of progressive deterioration that can be intensified by sun exposure, which is known as photoaging. The damage of radiation on various cell structures and on the skin results in molecular and morphological changes to these components. Many research studies are performed to try to minimize the effects of photoaging; however, the main strategy to manage it is still prevention, which will only be achieved once we learn about the mechanisms involved in the process.

  14. Development of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontology.

    Science.gov (United States)

    Thibault, J C; Roe, D R; Eilbeck, K; Cheatham, T E; Facelli, J C

    2015-01-01

    Biomolecular simulations aim to simulate structure, dynamics, interactions, and energetics of complex biomolecular systems. With the recent advances in hardware, it is now possible to use more complex and accurate models, but also reach time scales that are biologically significant. Molecular simulations have become a standard tool for toxicology and pharmacology research, but organizing and sharing data - both within the same organization and among different ones - remains a substantial challenge. In this paper we review our recent work leading to the development of a comprehensive informatics infrastructure to facilitate the organization and exchange of biomolecular simulations data. Our efforts include the design of data models and dictionary tools that allow the standardization of the metadata used to describe the biomedical simulations, the development of a thesaurus and ontology for computational reasoning when searching for biomolecular simulations in distributed environments, and the development of systems based on these models to manage and share the data at a large scale (iBIOMES), and within smaller groups of researchers at laboratory scale (iBIOMES Lite), that take advantage of the standardization of the meta data used to describe biomolecular simulations.

  15. Measurement of soil moisture using gypsum blocks

    DEFF Research Database (Denmark)

    Friis Dela, B.

    For the past 50 years, gypsum blocks have been used to determine soil moisture content. This report describes a method for calibrating gypsum blocks for soil moisture measurements. Moisture conditions inside a building are strongly influenced by the moisture conditions in the soil surrounding...... the building. Consequently, measuring the moisture of the surrounding soil is of great importance for detecting the source of moisture in a building. Up till now, information has been needed to carry out individual calibrations for the different types of gypsum blocks available on the market and to account...

  16. Gaze Interactive Building Instructions

    DEFF Research Database (Denmark)

    Hansen, John Paulin; Ahmed, Zaheer; Mardanbeigi, Diako

    We combine eye tracking technology and mobile tablets to support hands-free interaction with digital building instructions. As a proof-of-concept we have developed a small interactive 3D environment where one can interact with digital blocks by gaze, keystroke and head gestures. Blocks may be moved...

  17. evaluation of stabilised-earth (tek) block for housing provision

    African Journals Online (AJOL)

    User

    Lack of patronage of locally developed building materials has resulted in huge housing deficit .... building materials. It is therefore for the forego- ing that this study was undertaken to evaluate the TEK-Blocks as construction material in order to foster an ..... TEK blocks as credible alternative building material in Ghana?

  18. CYP703 Is an Ancient Cytochrome P450 in Land Plants Catalyzing in-Chain Hydroxylation of Lauric Acid to Provide Building Blocks for Sporopollenin Synthesis in Pollen[W

    Science.gov (United States)

    Morant, Marc; Jørgensen, Kirsten; Schaller, Hubert; Pinot, Franck; Møller, Birger Lindberg; Werck-Reichhart, Danièle; Bak, Søren

    2007-01-01

    CYP703 is a cytochrome P450 family specific to land plants. Typically, each plant species contains a single CYP703. Arabidopsis thaliana CYP703A2 is expressed in the anthers of developing flowers. Expression is initiated at the tetrad stage and restricted to microspores and to the tapetum cell layer. Arabidopsis CYP703A2 knockout lines showed impaired pollen development and a partial male-sterile phenotype. Scanning electron and transmission electron microscopy of pollen from the knockout plants showed impaired pollen wall development with absence of exine. The fluorescent layer around the pollen grains ascribed to the presence of phenylpropanoid units in sporopollenin was absent in the CYP703A2 knockout lines. Heterologous expression of CYP703A2 in yeast cells demonstrated that CYP703 catalyzes the conversion of medium-chain saturated fatty acids to the corresponding monohydroxylated fatty acids, with a preferential hydroxylation of lauric acid at the C-7 position. Incubation of recombinant CYP703 with methanol extracts from developing flowers confirmed that lauric acid and in-chain hydroxy lauric acids are the in planta substrate and product, respectively. These data demonstrate that in-chain hydroxy lauric acids are essential building blocks in sporopollenin synthesis and enable the formation of ester and ether linkages with phenylpropanoid units. This study identifies CYP703 as a P450 family specifically involved in pollen development. PMID:17496121

  19. The Role of Anisotropic Exchange in Single Molecule Magnets: A CASSCF/NEVPT2 Study of the Fe4 SMM Building Block [Fe2(OCH32(dbm4] Dimer

    Directory of Open Access Journals (Sweden)

    Alessandro Lunghi

    2016-09-01

    Full Text Available The rationalisation of single molecule magnets’ (SMMs magnetic properties by quantum mechanical approaches represents a major task in the field of the Molecular Magnetism. The fundamental interpretative key of molecular magnetism is the phenomenological Spin Hamiltonian and the understanding of the role of its different terms by electronic structure calculations is expected to steer the rational design of new and more performing SMMs. This paper deals with the ab initio calculation of isotropic and anisotropic exchange contributions in the Fe(III dimer [Fe 2 (OCH 3 2 (dbm 4 ]. This system represents the building block of one of the most studied Single Molecule Magnets ([Fe 4 RC(CH 2 O 3 2 (dpm 6 ] where R can be an aliphatic chain or a phenyl group just to name the most common functionalization groups and its relatively reduced size allows the use of a high computational level of theory. Calculations were performed using CASSCF and NEVPT2 approaches on the X-ray geometry as assessment of the computational protocol, which has then be used to evinced the importance of the outer coordination shell nature through organic ligand modelization. Magneto-structural correlations as function of internal degrees of freedom for isotropic and anisotropic exchange contributions are also presented, outlining, for the first time, the extremely rapidly changing nature of the anisotropic exchange coupling.

  20. Exohedral M–C{sub 60} and M{sub 2}–C{sub 60} (M = Pt, Pd) systems as tunable-gap building blocks for nanoarchitecture and nanocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Özdamar, Burak; Boero, Mauro, E-mail: mauro.boero@ipcms.unistra.fr; Massobrio, Carlo; Felder-Flesch, Delphine; Le Roux, Sébastien, E-mail: sebastien.leroux@ipcms.unistra.fr [Institut de Physique et Chimie des Matériaux de Strasbourg, University of Strasbourg and CNRS, UMR 7504, 23 Rue du Loess, BP43, F-67034 Strasbourg (France)

    2015-09-21

    Transition metal–fullerenes complexes with metal atoms bound on the external surface of C{sub 60} are promising building blocks for next-generation fuel cells and catalysts. Yet, at variance with endohedral M@C{sub 60}, they have received a limited attention. By resorting to first principles simulations, we elucidate structural and electronic properties for the Pd–C{sub 60}, Pt–C{sub 60}, PtPd–C{sub 60}, Pd{sub 2}–C{sub 60}, and Pt{sub 2}–C{sub 60} complexes. The most stable structures feature the metal atom located above a high electron density site, namely, the π bond between two adjacent hexagons (π-66 bond). When two metal atoms are added, the most stable configuration is those in which metal atoms still stand on π-66 bonds but tends to clusterize. The electronic structure, rationalized in terms of localized Wannier functions, provides a clear picture of the underlying interactions responsible for the stability or instability of the complexes, showing a strict relationship between structure and electronic gap.

  1. QM Computations on Complete Nucleic Acids Building Blocks: Analysis of the Sarcin-Ricin RNA Motif Using DFT-D3, HF-3c, PM6-D3H, and MM Approaches.

    Science.gov (United States)

    Kruse, Holger; Havrila, Marek; Šponer, Jiřı

    2014-06-10

    A set of conformations obtained from explicit solvent molecular dynamics (MD) simulations of the Sarcin-Ricin internal loop (SRL) RNA motif is investigated using quantum mechanical (QM, TPSS-D3/def2-TZVP DFT-D3) and molecular mechanics (MM, AMBER parm99bsc0+χol3 force field) methods. Solvent effects are approximated using implicit solvent methods (COSMO for DFT-D3; GB and PB for MM). Large-scale DFT-D3 optimizations of the full 11-nucleotide motif are compared to MM results and reveal a higher flexibility of DFT-D3 over the MM in the optimization procedure. Conformational energies of the SRL motif expose significant differences in the DFT-D3 and MM energy descriptions that explain difficulties in MD simulations of the SRL motif. The TPSS-D3 data are in excellent agreement with results obtained by the hybrid functionals PW6B95-D3 and M06-2X. Computationally more efficient methods such as PM6-D3H and HF-3c show promising but partly inconsistent results. It is demonstrated that large-scale DFT-D3 computations on complete nucleic acids building blocks are a viable tool to complement the picture obtained from MD simulations and can be used as benchmarks for faster computational methods. Methodological challenges of large-scale QM computations on nucleic acids such as missing solvent-solute interactions and the truncation of the studied systems are discussed.

  2. Architecture of transcriptional regulatory circuits is knitted over the topology of bio-molecular interaction networks

    DEFF Research Database (Denmark)

    Soberano de Oliveira, Ana Paula; Patil, Kiran Raosaheb; Nielsen, Jens

    2008-01-01

    is to use the topology of bio-molecular interaction networks in order to constrain the solution space. Such approaches systematically integrate the existing biological knowledge with the 'omics' data. Results: Here we introduce a hypothesis-driven method that integrates bio-molecular network topology...... with transcriptome data, thereby allowing the identification of key biological features (Reporter Features) around which transcriptional changes are significantly concentrated. We have combined transcriptome data with different biological networks in order to identify Reporter Gene Ontologies, Reporter Transcription...... Factors, Reporter Proteins and Reporter Complexes, and use this to decipher the logic of regulatory circuits playing a key role in yeast glucose repression and human diabetes. Conclusion: Reporter Features offer the opportunity to identify regulatory hot-spots in bio-molecular interaction networks...

  3. Toward in silico biomolecular manipulation through static modes: atomic scale characterization of HIV-1 protease flexibility.

    Science.gov (United States)

    Brut, Marie; Estève, Alain; Landa, Georges; Djafari Rouhani, Mehdi

    2014-03-20

    Probing biomolecular flexibility with atomic-scale resolution is a challenging task in current computational biology for fundamental understanding and prediction of biomolecular interactions and associated functions. This paper makes use of the static mode method to study HIV-1 protease considered as a model system to investigate the full biomolecular flexibility at the atomic scale, the screening of active site biomechanical properties, the blind prediction of allosteric sites, and the design of multisite strategies to target deformations of interest. Relying on this single calculation run of static modes, we demonstrate that in silico predictive design of an infinite set of complex excitation fields is reachable, thanks to the storage of the static modes in a data bank that can be used to mimic single or multiatom contact and efficiently anticipate conformational changes arising from external stimuli. All along this article, we compare our results to data previously published and propose a guideline for efficient, predictive, and custom in silico experiments.

  4. Mathematical Building-Blocks in Engineering Mechanics

    Science.gov (United States)

    Boyajian, David M.

    2007-01-01

    A gamut of mathematical subjects and concepts are taught within a handful of courses formally required of the typical engineering student who so often questions the relevancy of being bound to certain lower-division prerequisites. Basic classes at the undergraduate level, in this context, include: Integral and Differential Calculus, Differential…

  5. RF building block modeling: optimization and synthesis

    NARCIS (Netherlands)

    Cheng, W.

    2012-01-01

    For circuit designers it is desirable to have relatively simple RF circuit models that do give decent estimation accuracy and provide sufficient understanding of circuits. Chapter 2 in this thesis shows a general weak nonlinearity model that meets these demands. Using a method that is related to

  6. BUILDING BLOCKS IN THE FOREIGN LANGUAGE CLASSROOM

    Directory of Open Access Journals (Sweden)

    Rossina Coto Keith

    2010-01-01

    Full Text Available Este artículo presenta las ventajas de la integración de tres áreas comúnmente estudiadas en la enseñanza de idiomas: Estilos de Aprendizaje, Inteligencias Múltiples y Estrategias para el Aprendizaje de Idiomas. Cada una de estas áreas tiene un papel fundamental en la enseñanza de idiomas y el aprendizaje, pero por lo general se utilizan por separado, o en el mejor de los casos, los y las docentes integran ya sea estilos e inteligencias o estrategias, pero no las tres al mismo tiempo. De hecho, la mayoría de la literatura presenta cada una por separado, dando la idea de que sólo una o dos se pueden utilizar en la clase de idiomas, por lo que en muchas oportunidades se ignoran aspectos fundamentales. La tesis principal del artículo es que, para ser más eficaz, Estilos de Aprendizaje, Inteligencias Múltiples y Estrategias de Aprendizaje deben entrelazarse a fin de crear un pilar sólido para el aprendizaje de idiomas. Primeramente, la autora ofrece una visión general de cada una de estas áreas. Luego en el referente teórico explica cómo estas deben usarse como una unidad, y posteriormente da un ejemplo de esto a través de un plan de clase sobre el tema de la conservación del medio ambiente para un curso de Comunicación Oral I de la carrera de inglés de la Escuela de Lenguas Modernas de la Universidad de Costa Rica. Por último, se ofrecen algunas recomendaciones a los y las instructores sobre la integración de estos pilares en el aula.

  7. Structuring oil by protein building blocks

    NARCIS (Netherlands)

    Vries, de Auke

    2017-01-01

    Over the recent years, structuring of oil into ‘organogels’ or ‘oleogels’ has gained much attention amongst colloid-, material,- and food scientists. Potentially, these oleogels could be used as an alternative for saturated- and trans fats in food products. To develop

  8. Enantiopure cyclopentane building blocks from iridoid glucosides

    DEFF Research Database (Denmark)

    Rasmussen, Jon Holbech

    .e. S. albida, S. woronowic, S. subvelutina, S. lateriflora, S. altissima, were investigated. It was found that in the water-soluble part of an ethanolic extract, a cinnamic ester of catalpol, scutellarioside I (348), was extractable into EtOAc. A method was developed in which the preparation of a water......-soluble extract of the plant material, extraction of 348 into EtOAc and acetylation of the crude EtOAc-extract, gave an acetylated crude product, from which scutellarioside I pentaacetate (351) was crystallised. Thus, 351 was obtained without the use of chromatography. Conversely, the purification of 5 was only...

  9. Volume Stability of Bitumen Bound Building Blocks

    Directory of Open Access Journals (Sweden)

    Thanaya I.N.A.

    2010-01-01

    Full Text Available This paper covers results of laboratory investigations on the volume stability of masonry units incorporating waste materials bound with bitumen (Bitublocks, due to moisture adsorption, thermal exposure and vacuum saturation. The materials used were steel slag, crushed glass, coal fly ash, and 50 pen bitumen. The samples were produced in hot mix method, compacted, then exposed to moist and temperature. It was found that moisture adsorption from the environment caused the Bitublock to expand. The samples with less intense curing regime experienced lower expansion and became stable faster, and vice versa. Under thermal condition (at 70°C, the samples with less intense curing regime underwent higher expansion, and vice versa. They were also highly reversible. Their volume stability was found unique under water exposure. The expansion on first vacuum saturation cycle was irreversible, then largely reversible on the following cycles.

  10. Captivate: Building Blocks for Implementing Active Learning

    Science.gov (United States)

    Kitchens, Brent; Means, Tawnya; Tan, Yinliang

    2018-01-01

    In this study, the authors propose a set of key elements that impact the success of an active learning implementation: content delivery, active learning methods, physical environment, technology enhancement, incentive alignment, and educator investment. Through a range of metrics the authors present preliminary evidence that students in courses…

  11. Building blocks of e-commerce

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    (1) Businesses using the world wide web have an international presence and can operate. (24 × 7) at low cost. ... applications which use the internet are discussed, of which the important ones are the world wide web and other ...... issue licences, permits, sanctions, approvals etc., online, in electronic form. (4) Many archival ...

  12. Formulating the building blocks for national cyberpower

    CSIR Research Space (South Africa)

    Jansen van Vuuren, Johanna C

    2017-07-01

    Full Text Available environment by analysing the elements of cyberspace as part of national security. David Jablonsky (1997) distinguishes between natural and social determinants of power in his discussion of national power. Also, Jablonsky refers to Ray Cline's formula (Cline...

  13. Building blocks of e-commerce

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    business-to-customer (B2C) and customer-to-customer (C2C) electronic commerce and is abbreviated .... Digital encryption standard. • Advanced encryption standard. • Public key encryption. • Digital signature. • Electronic data interchange. Network services layer. • E-mail ..... Key distribution must use a different channel to.

  14. Building Blocks for the New Principal

    Science.gov (United States)

    Beckerman, Leon

    2005-01-01

    After all of the theories, strategies, discussions, and classes are completed, new principals often still feel isolated and think they have to reinvent the wheel to learn the basic lessons of leadership--how to improve school climate, how to provide leadership for change, how to communicate effectively, and how to manage time. However, they do not…

  15. Detecting the building blocks of aromatics

    Science.gov (United States)

    Joblin, Christine; Cernicharo, José

    2018-01-01

    Interstellar clouds are sites of active organic chemistry (1). Many small, gasphase molecules are found in the dark parts of the clouds that are protected from ultraviolet (UV) photons, but these molecules photodissociate in the external layers of the cloud that are exposed to stellar radiation (see the photo). These irradiated regions are populated by large polycyclic aromatic hydrocarbons (PAHs) with characteristic infrared (IR) emission features. These large aromatics are expected to form from benzene (C6H6), which is, however, difficult to detect because it does not have a permanent dipole moment and can only be detected via its IR absorption transitions against a strong background source (2). On page 202 of this issue, McGuire et al. (3) report the detection of benzonitrile (c-C6H5CN) with radio telescopes. Benzonitrile likely forms in the reaction of CN with benzene; from its observation, it is therefore possible to estimate the abundance of benzene itself.

  16. Superatoms as Building Blocks of New Materials

    Science.gov (United States)

    2012-10-24

    February 27 – Mach 2, 2012. “Breaking Carbonyl Bonds in Formaldehyde via Complementary Active Sites”, (Contributed Talk by S. N. Khanna), APS March Meeting...Structure of Cluster Assemblies with Metal Carbonyls , J. Phys. Chem. C, (10 2011): 23704. doi: TOTAL: 3 Number of Papers published in non peer-reviewed...Poster, Scott Sayres and A. W. Castleman, Jr.), International Symposium on Clusters and Nanostructures, Richmond, VA, November 7 – 10, 2011. “ Carbonyl

  17. From nanoscale building blocks to hybrid nanomaterials

    Indian Academy of Sciences (India)

    Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore 560 064, India. e-mail: kgt@vsnl.com. Materials in the ..... effective masses (me and mh) to define the wave function. Kayanuma accounted the .... on the standing waves around the circumference of the nanotube. The single walled carbon ...

  18. Building blocks of a black hole

    International Nuclear Information System (INIS)

    Bekenstein, Jacob D.; Gour, Gilad

    2002-01-01

    What is the nature of the energy spectrum of a black hole? The algebraic approach to black hole quantization requires the horizon area eigenvalues to be equally spaced. As stressed long ago by Mukhanov, such eigenvalues must be exponentially degenerate with respect to the area quantum number if one is to understand black hole entropy as reflecting degeneracy of the observable states. Here we construct the black hole stationary states by means of a pair of ''creation operators'' subject to a particular simple algebra, a slight generalization of that for a pair of harmonic oscillators. This algebra reproduces the main features of the algebraic approach, in particular the equally spaced area spectrum. We then prove rigorously that the nth area eigenvalue is exactly 2 n -fold degenerate. Thus black hole entropy qua logarithm of the number of states for a fixed horizon area is indeed proportional to that area

  19. Building blocks of a black hole

    OpenAIRE

    Bekenstein, Jacob D.; Gour, Gilad

    2002-01-01

    What is the nature of the energy spectrum of a black hole ? The algebraic approach to black hole quantization requires the horizon area eigenvalues to be equally spaced. As stressed long ago by by Mukhanov, such eigenvalues must be exponentially degenerate with respect to the area quantum number if one is to understand black hole entropy as reflecting degeneracy of the observable states. Here we construct the black hole states by means of a pair of "creation operators" subject to a particular...

  20. Building blocks of e-commerce

    Indian Academy of Sciences (India)

    The lowest layer consists of a physical communication network such as local area network or public switched telephone networks. The next higher layer is the logical layer which ... Author Affiliations. V Rajaraman1. Supercomputer Education & Research Centre, Indian Institute of Science, Bangalore 560 012, India ...

  1. Lifting of a sector block for YE-2 at Kawasaki.

    CERN Multimedia

    R. Loveless/U. of Wisconsin

    2000-01-01

    YE-2 is build from machined sector blocks. Trial assembly is carried out horizontally. This picture represents the lifting of a machined sector block destined to the trial assembly of a half disk YE-2 at Kawasaki (KHI) Kobe, Japan.

  2. Engineering intracellular active transport systems as in vivo biomolecular tools.

    Energy Technology Data Exchange (ETDEWEB)

    Bachand, George David; Carroll-Portillo, Amanda

    2006-11-01

    Active transport systems provide essential functions in terms of cell physiology and metastasis. These systems, however, are also co-opted by invading viruses, enabling directed transport of the virus to and from the cell's nucleus (i.e., the site of virus replication). Based on this concept, fundamentally new approaches for interrogating and manipulating the inner workings of living cells may be achievable by co-opting Nature's active transport systems as an in vivo biomolecular tool. The overall goal of this project was to investigate the ability to engineer kinesin-based transport systems for in vivo applications, specifically the collection of effector proteins (e.g., transcriptional regulators) within single cells. In the first part of this project, a chimeric fusion protein consisting of kinesin and a single chain variable fragment (scFv) of an antibody was successfully produced through a recombinant expression system. The kinesin-scFv retained both catalytic and antigenic functionality, enabling selective capture and transport of target antigens. The incorporation of a rabbit IgG-specific scFv into the kinesin established a generalized system for functionalizing kinesin with a wide range of target-selective antibodies raised in rabbits. The second objective was to develop methods of isolating the intact microtubule network from live cells as a platform for evaluating kinesin-based transport within the cytoskeletal architecture of a cell. Successful isolation of intact microtubule networks from two distinct cell types was demonstrated using glutaraldehyde and methanol fixation methods. This work provides a platform for inferring the ability of kinesin-scFv to function in vivo, and may also serve as a three-dimensional scaffold for evaluating and exploiting kinesin-based transport for nanotechnological applications. Overall, the technology developed in this project represents a first-step in engineering active transport system for in vivo

  3. Construcción sustentable, análisis de retraso térmico a bloques de tierra comprimidos / Sustainable building, thermal analysis of delay to earth blocks tablets

    Directory of Open Access Journals (Sweden)

    Roux Gutiérrez, Rubén Salvador

    2015-09-01

    Full Text Available Este artículo es el resultado de la investigación que aborda el tema las propiedades térmicas de los Bloques de Tierra Comprimida (BTC, para corroborar las ventajas de este material de construcción alternativo, sobre los materiales convencionales, para comprobar que estos materiales pueden satisfacer las necesidades de la población en la construcción de sus viviendas digna, mejorando la calidad de vida del usuario y produciendo un menor impacto ambiental. Se plantea el uso de BTC como unidad de análisis, elaborado con material de la zona del sur de Tamaulipas, probando sus ventajas como regulador natural de temperatura contra el bloque de concreto y el ladrillo recocido de la región, que son empleados en el ámbito de la construcción de viviendas. Las pruebas térmicas realizadas fueron simulando el efecto del sol sobre un muro, registrándose la temperatura durante las pruebas determinándose el retraso térmico en los muros dependiendo del material. Es así como con el resultado de las pruebas se determinó cual es el material óptimo para emplear como envolvente de la vivienda. This article is the result of research that addresses the issue the thermal properties of the Compressed Earth Blocks (CEB, to corroborate the benefits of this alternative building material, on the conventional materials, to verify that these materials can meet the needs of the population in the construction of their homes worthy, improving the quality of life of the user and producing a lower environmental impact. Considering the use of CEB as a unit of analysis, developed with materials from the area of southern Tamaulipas, proving its advantages as natural regulator of temperature against the concrete block and brick annealing of the region, who are employed in the field of housing construction. Thermal testing carried out were simulating the effect of the sun on a wall, the temperature recorded during the tests determined the delay in the thermal walls

  4. Trends in building materials

    CSIR Research Space (South Africa)

    Mapiravana, Joseph

    2012-07-01

    Full Text Available in the application of continuously reinforced thin concrete road pavement emplacement and testing and in the production and use of low cost modular concrete block building systems. 3.3 Bricks and blocks Rest of the world has used advanced characterisation... materials for bricks and concrete blocks occurs on a much smaller scale in South Africa than elsewhere. There have been greater advances made by rest of the world in the use of alternative concrete block production processes such as autoclaving...

  5. High Triplet Energy Level Achieved by Tuning the Arrangement of Building Blocks in Phosphorescent Polymer Backbones for Furnishing High Electroluminescent Performances in Both Blue and White Organic Light-Emitting Devices.

    Science.gov (United States)

    Liu, Boao; Dang, Feifan; Tian, Zhuanzhuan; Feng, Zhao; Jin, Deyuan; Dang, Wanping; Yang, Xiaolong; Zhou, Guijiang; Wu, Zhaoxin

    2017-05-17

    A high triplet energy level (E T ) of ca. 2.83 eV has been achieved in a novel polymer backbone through tuning the arrangement of two kinds of building blocks, showing enhanced hole injection/transporting capacity. Based on this new polymer backbone with high E T , both blue and white phosphorescent polymers were successfully developed with a trade-off between high E T and enhanced charge-carrier transporting ability. In addition, their photophysical features, electrochemical behaviors, and electroluminescent (EL) properties have been characterized in detail. Benefitting from the advantages associated with the novel polymer backbone, the blue phosphorescent polymers show top-ranking EL performances with a maximum luminance efficiency (η L ) of 15.22 cd A -1 , corresponding to a power efficiency (η P ) of 12.64 lm W -1 , and external quantum efficiency (η ext ) of 6.22% and the stable Commission Internationale de L'Eclairage (CIE) coordinates of (0.19, 0.38). Furthermore, blue-orange (B-O) complementary-colored white phosphorescent polymers based on this novel polymer backbone were also obtained showing encouraging EL efficiencies of 12.34 cd A -1 , 9.59 lm W -1 , and 4.10% in the optimized WOLED together with exceptionally stable CIE coordinates of (Δx = 0.014, Δy = 0.010) in a wide driving voltage range from 4 to 16 V. All of these attractive EL results achieved by these novel phosphorescent polymers show the great potential of this new polymer backbone in developing highly efficient phosphorescent polymers.

  6. Conformation of bovine submaxillary mucin layers on hydrophobic surface as studied by biomolecular probes

    DEFF Research Database (Denmark)

    Pakkanen, Kirsi I.; Madsen, Jan Busk; Lee, Seunghwan

    2015-01-01

    non-linear responses with increasing surface concentration. The results from this study support the conventional amphiphilic, triblock model of BSM in the adsorption onto hydrophobic surface from aqueous solution.The biomolecular probe-based approaches employed in this study, however, provided further...

  7. Affinity Capillary Electrophoresis – A Powerful Tool to Investigate Biomolecular Interactions

    Czech Academy of Sciences Publication Activity Database

    Kašička, Václav

    2017-01-01

    Roč. 30, č. 5 (2017), s. 248 ISSN 1471-6577 Institutional support: RVO:61388963 Keywords : capillary affinity electrophoresis * biomolecular interactions * binding constants Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 0.663, year: 2016

  8. Optical Coherence Tomography and Biomolecular Imaging with Coherent Raman Scattering Microscopy

    DEFF Research Database (Denmark)

    Andersson-Engels, Stefan; Andersen, Peter E.

    2014-01-01

    The Special Section on Selected Topics in Biophotonics: Optical Coherence Tomography and Biomolecular Imaging with Coherent Raman Scattering Microscopy comprises two invited review papers and several contributed papers from the summer school Biophotonics ’13, as well as contributed papers within...

  9. Improvements to the APBS biomolecular solvation software suite: Improvements to the APBS Software Suite

    Energy Technology Data Exchange (ETDEWEB)

    Jurrus, Elizabeth [Pacific Northwest National Laboratory, Richland Washington; Engel, Dave [Pacific Northwest National Laboratory, Richland Washington; Star, Keith [Pacific Northwest National Laboratory, Richland Washington; Monson, Kyle [Pacific Northwest National Laboratory, Richland Washington; Brandi, Juan [Pacific Northwest National Laboratory, Richland Washington; Felberg, Lisa E. [University of California, Berkeley California; Brookes, David H. [University of California, Berkeley California; Wilson, Leighton [University of Michigan, Ann Arbor Michigan; Chen, Jiahui [Southern Methodist University, Dallas Texas; Liles, Karina [Pacific Northwest National Laboratory, Richland Washington; Chun, Minju [Pacific Northwest National Laboratory, Richland Washington; Li, Peter [Pacific Northwest National Laboratory, Richland Washington; Gohara, David W. [St. Louis University, St. Louis Missouri; Dolinsky, Todd [FoodLogiQ, Durham North Carolina; Konecny, Robert [University of California San Diego, San Diego California; Koes, David R. [University of Pittsburgh, Pittsburgh Pennsylvania; Nielsen, Jens Erik [Protein Engineering, Novozymes A/S, Copenhagen Denmark; Head-Gordon, Teresa [University of California, Berkeley California; Geng, Weihua [Southern Methodist University, Dallas Texas; Krasny, Robert [University of Michigan, Ann Arbor Michigan; Wei, Guo-Wei [Michigan State University, East Lansing Michigan; Holst, Michael J. [University of California San Diego, San Diego California; McCammon, J. Andrew [University of California San Diego, San Diego California; Baker, Nathan A. [Pacific Northwest National Laboratory, Richland Washington; Brown University, Providence Rhode Island

    2017-10-24

    The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this manuscript, we discuss the models and capabilities that have recently been implemented within the APBS software package including: a Poisson-Boltzmann analytical and a semi-analytical solver, an optimized boundary element solver, a geometry-based geometric flow solvation model, a graph theory based algorithm for determining pKa values, and an improved web-based visualization tool for viewing electrostatics.

  10. Computer Programming and Biomolecular Structure Studies: A Step beyond Internet Bioinformatics

    Science.gov (United States)

    Likic, Vladimir A.

    2006-01-01

    This article describes the experience of teaching structural bioinformatics to third year undergraduate students in a subject titled "Biomolecular Structure and Bioinformatics." Students were introduced to computer programming and used this knowledge in a practical application as an alternative to the well established Internet bioinformatics…

  11. The blocking reagent optimization for the magnetoelastic biosensor

    Science.gov (United States)

    Hu, Jiajia; Chai, Yating; Horikawa, Shin; Wikle, Howard C.; Wang, Feng'en; Du, Songtao; Chin, Bryan A.; Hu, Jing

    2015-06-01

    The wireless phage-based magnetoelastic (ME) biosensor has proven to be promising for real-time detection of pathogenic bacteria on fresh produces. The ME biosensor consists of a freestanding ME resonator as the signal transducer and filamentous phage as the biomolecular-recognition element, which can specifically bind to a pathogen of interest. Due to the Joule magnetostriction effect, the biosensors can be placed into mechanical resonance when subjected to a time-varying magnetic field alternating at the sensor's resonant frequency. Upon the attachment of the target pathogen, the mass of the biosensor increases, thereby decreasing its resonant frequency. This paper presents an investigation of blocking reagents immobilization for detecting Salmonella Typhimurium on fresh food surfaces. Three different blocking reagents (BSA, SuperBlock blocking buffer, and blocker BLOTTO) were used and compared. The optical microscope was used for bacterial cells binding observation. Student t-test was used to statistically analysis the experiment results. The results shows that SuperBlock blocking buffer and blocker BLOTTO have much better blocking performance than usually used BSA.

  12. ALTERNATIVAS BIOMOLECULARES EN EL TRATAMIENTO DE LA OBESIDAD

    Directory of Open Access Journals (Sweden)

    Fernando Lizcano

    2010-09-01

    Full Text Available

    Resumen

    La obesidad se ha convertido en un problema de salud pública que cobija tanto a países desarrollados como a aquellos en vía de desarrollo. En la mayoría de los casos las políticas de salud no han tenido el efecto deseado para reducir la prevalencia de esta patología y muchos de los fármacos útiles para contrarrestar la obesidad no han podido continuar en el mercado debido a serios efectos secundarios. Algunas alternativas terapéuticas más agresivas como la cirugías reductivas han demostrado una utilidad restringida. Incluso, recientes observaciones han puesto de manifiesto las consecuencias a largo plazo de este tipo de intervenciones.

    En la búsqueda de nuevas estrategias para el tratamiento de la obesidad se ha investigado, tanto en la propia célula grasa como en los genes que podrían ser modificados y cuya función está enfocada en regular el gasto calórico y la termogénesis adaptativa. Algunos de estos genes son modificados por factores de transcripción que pueden determinar la característica fenotípica de la célula grasa. Recientemente se ha observado que en la persona adulta es posible evidenciar vestigios de célula grasa parda que puede gastar energía en forma de calor y esta modificación podría ser una alternativa terapéutica en la obesidad. Nuestro grupo de investigación ha observado que mediante la modificación de la función de la proteína del retinoblastoma (pRb se pueden aumentar los genes que estimulan la pérdida calórica en el adipocito.

    Palabras clave: Grasa Parda, Obesidad, transcripción, EID1, transdiferenciación

    BIOMOLECULAR OPTIONS IN TREATING OBESITY

    Abstract

    Obesity is a public health issue for both developed and third world countries. Although many efforts have been made to reverse the trend of this prevalent pathology, no results have been obtained with public health policies in most cases. Furthermore, many medicines approved for

  13. Quantifying the topography of the intrinsic energy landscape of flexible biomolecular recognition

    Science.gov (United States)

    Chu, Xiakun; Gan, Linfeng; Wang, Erkang; Wang, Jin

    2013-01-01

    Biomolecular functions are determined by their interactions with other molecules. Biomolecular recognition is often flexible and associated with large conformational changes involving both binding and folding. However, the global and physical understanding for the process is still challenging. Here, we quantified the intrinsic energy landscapes of flexible biomolecular recognition in terms of binding–folding dynamics for 15 homodimers by exploring the underlying density of states, using a structure-based model both with and without considering energetic roughness. By quantifying three individual effective intrinsic energy landscapes (one for interfacial binding, two for monomeric folding), the association mechanisms for flexible recognition of 15 homodimers can be classified into two-state cooperative “coupled binding–folding” and three-state noncooperative “folding prior to binding” scenarios. We found that the association mechanism of flexible biomolecular recognition relies on the interplay between the underlying effective intrinsic binding and folding energy landscapes. By quantifying the whole global intrinsic binding–folding energy landscapes, we found strong correlations between the landscape topography measure Λ (dimensionless ratio of energy gap versus roughness modulated by the configurational entropy) and the ratio of the thermodynamic stable temperature versus trapping temperature, as well as between Λ and binding kinetics. Therefore, the global energy landscape topography determines the binding–folding thermodynamics and kinetics, crucial for the feasibility and efficiency of realizing biomolecular function. We also found “U-shape” temperature-dependent kinetic behavior and a dynamical cross-over temperature for dividing exponential and nonexponential kinetics for two-state homodimers. Our study provides a unique way to bridge the gap between theory and experiments. PMID:23754431

  14. Ultrafast Electrons and X-rays as Probe of Biomolecular Dynamics

    Science.gov (United States)

    Subramanian, Ganesh

    The structure-function relation in Biology suggests that every biological molecule has evolved its structure to carry out a specific function. However, for many of these processes (such as those with catalytic activity) the structure of the biomolecule changes during the course of a reaction. Understanding the structure-function relation thus becomes a question of understanding biomolecular dynamics that span a variety of timescales (from electronic rearrangements in the femtoseconds to side-chain alteration in the microseconds and more). This dissertation deals with the study of biomolecular dynamics in the ultrafast timescales (fs-ns) using electron and X-ray probes in both time and frequency domains. It starts with establishing the limitations of traditional electron diffraction coupled with molecular replacement to study biomolecular structure and proceeds to suggest a pulsed electron source Hollow-Cone Transmission Electron Microscope as an alternative scheme to pursue ultrafast biomolecular imaging. In frequency domain, the use of Electron Energy Loss Spectroscopy as a tool to access ultrafast nuclear dynamics in the steady state, is detailed with the new monochromated NiON UltraSTEM and examples demonstrating this instrument's capability are provided. Ultrafast X-ray spectroscopy as a tool to elucidate biomolecular dynamics is presented in studying X-ray as a probe, with the study of the photolysis of Methylcobalamin using time-resolved laser pump--X-ray probe absorption spectroscopy. The analysis in comparison to prior literature as well as DFT based XAS simulations offer good agreement and understanding to the steady state spectra but are so far inadequate in explaining the time-resolved data. However, the trends in the absorption simulations for the transient intermediates show a strong anisotropic dependence on the axial ligation, which would define the direction for future studies on this material to achieve a solution.

  15. Focus 2012. Awakening into a new age - Elements of a sustainable energy supply. Ressource efficiency - key competency of sustainable societies, Sustainable chemistry - fundamental building blocks of a green economy. Annual report; Schwerpunkte 2012. Aufbruch ins neue Zeitalter - Elemente einer nachhaltigen Energieversorgung, Ressourceneffizienz - Schluesselkompetenz zukunftsfaehiger Gesellschaften, Nachhaltige Chemie - elementarer Baustein einer Green Economy. Jahrespublikation

    Energy Technology Data Exchange (ETDEWEB)

    Mavromati, Fotini; Ittershagen, Martin (comps.)

    2012-05-30

    The Federal Environmental Agency (Dessau-Rosslau, Federal Republic of Germany) sees excellent opportunities to move the economic regeneration forward by means of environmental protection. Under this aspect, the annual report ''Focus 2012'' under consideration presents the following contributions: (1) Green Economy as a new model for economic development; (2) Elements of a sustainable energy supply; (3) Resource efficiency as a key competence for sustainable societies; (4) Green Chemistry as a fundamental building block of Green Economy.

  16. Ultrasound guided supraclavicular block.

    LENUS (Irish Health Repository)

    Hanumanthaiah, Deepak

    2013-09-01

    Ultrasound guided regional anaesthesia is becoming increasingly popular. The supraclavicular block has been transformed by ultrasound guidance into a potentially safe superficial block. We reviewed the techniques of performing supraclavicular block with special focus on ultrasound guidance.

  17. HPDB-Haskell library for processing atomic biomolecular structures in Protein Data Bank format.

    Science.gov (United States)

    Gajda, Michał Jan

    2013-11-23

    Protein DataBank file format is used for the majority of biomolecular data available today. Haskell is a lazy functional language that enjoys a high-level class-based type system, a growing collection of useful libraries and a reputation for efficiency. I present a fast library for processing biomolecular data in the Protein Data Bank format. I present benchmarks indicating that this library is faster than other frequently used Protein Data Bank parsing programs. The proposed library also features a convenient iterator mechanism, and a simple API modeled after BioPython. I set a new standard for convenience and efficiency of Protein Data Bank processing in a Haskell library, and release it to open source.

  18. Introduction to a Protein Interaction System Used for Quantitative Evaluation of Biomolecular Interactions

    OpenAIRE

    Yamniuk, Aaron

    2013-01-01

    A central goal of molecular biology is the determination of biomolecular function. This comes largely from a knowledge of the non-covalent interactions that biological small and macro-molecules experience. The fundamental mission of the Molecular Interactions Research Group (MIRG) of the ABRF is to show how solution biophysical tools are used to quantitatively characterize molecular interactions, and to educate the ABRF members and scientific community on the utility and limitations of core t...

  19. The Shadow Map: A General Contact Definition for Capturing the Dynamics of Biomolecular Folding and Function

    OpenAIRE

    Noel, Jeffrey K.; Whitford, Paul C.; Onuchic, José N

    2012-01-01

    Structure-based models (SBMs) are simplified models of the biomolecular dynamics that arise from funneled energy landscapes. We recently introduced an all-atom SBM that explicitly represents the atomic geometry of a biomolecule. While this initial study showed the robustness of the all-atom SBM Hamiltonian to changes in many of the energetic parameters, an important aspect, which has not been explored previously, is the definition of native interactions. In this study, we propose a general de...

  20. Mathematical model for biomolecular quantification using large-area surface-enhanced Raman spectroscopy mapping

    DEFF Research Database (Denmark)

    Palla, Mirkó; Bosco, Filippo; Yang, Jaeyoung

    2015-01-01

    Surface-enhanced Raman spectroscopy (SERS) based on nanostructured platforms is a promising technique for quantitative and highly sensitive detection of biomolecules in the field of analytical biochemistry. Here, we report a mathematical model to predict experimental SERS signal (or hotspot......) intensity distributions of target molecules on receptor-functionalized nanopillar substrates for biomolecular quantification. We demonstrate that by utilizing only a small set of empirically determined parameters, our general theoretical framework agrees with the experimental data particularly well...

  1. Parity Violation in Chiral Molecules: From Theory towards Spectroscopic Experiment and the Evolution of Biomolecular Homochirality

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    The observation of biomolecular homochirality can be considered as a quasi-fossil of the evolution of life [1], the interpretation of which has been an open question for more than a century, with numerous related hypotheses, but no definitive answers. We shall briefly discuss the current status and the relation to the other two questions. The discovery of parity violation led to important developm...

  2. The Molecular Origin of Enthalpy/Entropy Compensation in Biomolecular Recognition.

    Science.gov (United States)

    Fox, Jerome M; Zhao, Mengxia; Fink, Michael J; Kang, Kyungtae; Whitesides, George M

    2018-03-05

    Biomolecular recognition can be stubborn; changes in the structures of associating molecules, or the environments in which they associate, often yield compensating changes in enthalpies and entropies of binding and no net change in affinities. This phenomenon-termed enthalpy/entropy (H/S) compensation-hinders efforts in biomolecular design, and its incidence-often a surprise to experimentalists-makes interactions between biomolecules difficult to predict. Although characterizing H/S compensation requires experimental care, it is unquestionably a real phenomenon that has, from an engineering perspective, useful physical origins. Studying H/S compensation can help illuminate the still-murky roles of water and dynamics in biomolecular recognition and self-assembly. This review summarizes known sources of H/S compensation (real and perceived) and lays out a conceptual framework for understanding and dissecting- and, perhaps, avoiding or exploiting-this phenomenon in biophysical systems. Expected final online publication date for the Annual Review of Biophysics Volume 47 is May 20, 2018. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.

  3. Reverse engineering biomolecular systems using −omic data: challenges, progress and opportunities

    Science.gov (United States)

    Quo, Chang F.; Kaddi, Chanchala; Phan, John H.; Zollanvari, Amin; Xu, Mingqing

    2012-01-01

    Recent advances in high-throughput biotechnologies have led to the rapid growing research interest in reverse engineering of biomolecular systems (REBMS). ‘Data-driven’ approaches, i.e. data mining, can be used to extract patterns from large volumes of biochemical data at molecular-level resolution while ‘design-driven’ approaches, i.e. systems modeling, can be used to simulate emergent system properties. Consequently, both data- and design-driven approaches applied to –omic data may lead to novel insights in reverse engineering biological systems that could not be expected before using low-throughput platforms. However, there exist several challenges in this fast growing field of reverse engineering biomolecular systems: (i) to integrate heterogeneous biochemical data for data mining, (ii) to combine top–down and bottom–up approaches for systems modeling and (iii) to validate system models experimentally. In addition to reviewing progress made by the community and opportunities encountered in addressing these challenges, we explore the emerging field of synthetic biology, which is an exciting approach to validate and analyze theoretical system models directly through experimental synthesis, i.e. analysis-by-synthesis. The ultimate goal is to address the present and future challenges in reverse engineering biomolecular systems (REBMS) using integrated workflow of data mining, systems modeling and synthetic biology. PMID:22833495

  4. Reverse engineering biomolecular systems using -omic data: challenges, progress and opportunities.

    Science.gov (United States)

    Quo, Chang F; Kaddi, Chanchala; Phan, John H; Zollanvari, Amin; Xu, Mingqing; Wang, May D; Alterovitz, Gil

    2012-07-01

    Recent advances in high-throughput biotechnologies have led to the rapid growing research interest in reverse engineering of biomolecular systems (REBMS). 'Data-driven' approaches, i.e. data mining, can be used to extract patterns from large volumes of biochemical data at molecular-level resolution while 'design-driven' approaches, i.e. systems modeling, can be used to simulate emergent system properties. Consequently, both data- and design-driven approaches applied to -omic data may lead to novel insights in reverse engineering biological systems that could not be expected before using low-throughput platforms. However, there exist several challenges in this fast growing field of reverse engineering biomolecular systems: (i) to integrate heterogeneous biochemical data for data mining, (ii) to combine top-down and bottom-up approaches for systems modeling and (iii) to validate system models experimentally. In addition to reviewing progress made by the community and opportunities encountered in addressing these challenges, we explore the emerging field of synthetic biology, which is an exciting approach to validate and analyze theoretical system models directly through experimental synthesis, i.e. analysis-by-synthesis. The ultimate goal is to address the present and future challenges in reverse engineering biomolecular systems (REBMS) using integrated workflow of data mining, systems modeling and synthetic biology.

  5. Development of potential manufacturing routes for substituted thiophenes – Preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides

    Directory of Open Access Journals (Sweden)

    Ash Mezzie L

    2007-09-01

    -2-thiophenecarboxylic acid, which was readily converted to the acid chloride 2 with SOCl2. Conclusion The successful development of efficient synthetic routes to the halogenated thiophene building blocks 4-bromo-3-methyl-2-thiophenecarbonyl chloride 1, 3,4,5-trichloro-2-thiophenecarbonyl chloride 2, and 3,4,5-trichloro-2-thiophenecarbonitrile 3 paved the way for the development of viable commercial processes for XR-693 and XR-906, members of a new class of 2,6-dihaloaryl 1,2,4-triazole insecticides that exhibit selective activity against aphids, mites, and whiteflies coupled with low mammalian toxicity. The process development work for the experimental insecticide target molecules XR-693 and XR-906 will be the topic of a forthcoming paper.

  6. Hybrid fuzzy cluster ensemble framework for tumor clustering from biomolecular data.

    Science.gov (United States)

    Yu, Zhiwen; Chen, Hantao; You, Jane; Han, Guoqiang; Li, Le

    2013-01-01

    Cancer class discovery using biomolecular data is one of the most important tasks for cancer diagnosis and treatment. Tumor clustering from gene expression data provides a new way to perform cancer class discovery. Most of the existing research works adopt single-clustering algorithms to perform tumor clustering is from biomolecular data that lack robustness, stability, and accuracy. To further improve the performance of tumor clustering from biomolecular data, we introduce the fuzzy theory into the cluster ensemble framework for tumor clustering from biomolecular data, and propose four kinds of hybrid fuzzy cluster ensemble frameworks (HFCEF), named as HFCEF-I, HFCEF-II, HFCEF-III, and HFCEF-IV, respectively, to identify samples that belong to different types of cancers. The difference between HFCEF-I and HFCEF-II is that they adopt different ensemble generator approaches to generate a set of fuzzy matrices in the ensemble. Specifically, HFCEF-I applies the affinity propagation algorithm (AP) to perform clustering on the sample dimension and generates a set of fuzzy matrices in the ensemble based on the fuzzy membership function and base samples selected by AP. HFCEF-II adopts AP to perform clustering on the attribute dimension, generates a set of subspaces, and obtains a set of fuzzy matrices in the ensemble by performing fuzzy c-means on subspaces. Compared with HFCEF-I and HFCEF-II, HFCEF-III and HFCEF-IV consider the characteristics of HFCEF-I and HFCEF-II. HFCEF-III combines HFCEF-I and HFCEF-II in a serial way, while HFCEF-IV integrates HFCEF-I and HFCEF-II in a concurrent way. HFCEFs adopt suitable consensus functions, such as the fuzzy c-means algorithm or the normalized cut algorithm (Ncut), to summarize generated fuzzy matrices, and obtain the final results. The experiments on real data sets from UCI machine learning repository and cancer gene expression profiles illustrate that 1) the proposed hybrid fuzzy cluster ensemble frameworks work well on real

  7. Homogeneous bilateral block shifts

    Indian Academy of Sciences (India)

    Douglas class were classified in [3]; they are unilateral block shifts of arbitrary block size (i.e. dim H(n) can be anything). However, no examples of irreducible homogeneous bilateral block shifts of block size larger than 1 were known until now.

  8. The origin of biomolecular asymmetry – Insights from cometary and meteoritic matter

    Directory of Open Access Journals (Sweden)

    Meinert C.

    2014-02-01

    Full Text Available The chemistry of life is purely stereospecific. The fundamental biopolymers – proteins and nucleic acids – are intrinsically chiral due to their molecular building blocks, namely L-amino acids and D-sugars. Hypotheses for the evolutionary origin of that strict stereochemical selection include the asymmetric photochemistry model by which circularly polarized (CP photons induced an enantiomeric excess in chiral organic molecules via asymmetric photolysis. The transfer of a distinct chirality from chiral photons to organic molecules is assumed to have occurred in environments of interstellar molecular clouds. This model is strengthened by the observation of CP light in the star-forming region of Orion. Due to our laboratory experiments mimicking cometary ice evolution, we show that molecules of prebiotic interest such as amino and diamino acids are formed in inter/protostellar environments and might have been subjected to CP vacuum-UV radiation before and during their space journey to the early Earth.

  9. Seismic proof test of shielding block walls

    International Nuclear Information System (INIS)

    Ohte, Yukio; Watanabe, Takahide; Watanabe, Hiroyuki; Maruyama, Kazuhide

    1989-01-01

    Most of the shielding block walls used for building nuclear facilities are built by dry process. When a nuclear facility is designed, seismic waves specific at each site are set as input seismic motions and they are adopted in the design. Therefore, it is necessary to assure safety of the shielding block walls for earthquake by performing anti-seismic experiments under the conditions at each site. In order to establish the normal form that can be applied to various seismic conditions in various areas, Shimizu Corp. made an actual-size test samples for the shielding block wall and confirmed the safety for earthquake and validity of normalization. (author)

  10. Interacting with the biomolecular solvent accessible surface via a haptic feedback device

    Directory of Open Access Journals (Sweden)

    Hayward Steven

    2009-10-01

    Full Text Available Abstract Background From the 1950s computer based renderings of molecules have been produced to aid researchers in their understanding of biomolecular structure and function. A major consideration for any molecular graphics software is the ability to visualise the three dimensional structure of the molecule. Traditionally, this was accomplished via stereoscopic pairs of images and later realised with three dimensional display technologies. Using a haptic feedback device in combination with molecular graphics has the potential to enhance three dimensional visualisation. Although haptic feedback devices have been used to feel the interaction forces during molecular docking they have not been used explicitly as an aid to visualisation. Results A haptic rendering application for biomolecular visualisation has been developed that allows the user to gain three-dimensional awareness of the shape of a biomolecule. By using a water molecule as the probe, modelled as an oxygen atom having hard-sphere interactions with the biomolecule, the process of exploration has the further benefit of being able to determine regions on the molecular surface that are accessible to the solvent. This gives insight into how awkward it is for a water molecule to gain access to or escape from channels and cavities, indicating possible entropic bottlenecks. In the case of liver alcohol dehydrogenase bound to the inhibitor SAD, it was found that there is a channel just wide enough for a single water molecule to pass through. Placing the probe coincident with crystallographic water molecules suggests that they are sometimes located within small pockets that provide a sterically stable environment irrespective of hydrogen bonding considerations. Conclusion By using the software, named HaptiMol ISAS (available from http://www.haptimol.co.uk, one can explore the accessible surface of biomolecules using a three-dimensional input device to gain insights into the shape and water

  11. Raman spectroscopy detects biomolecular changes associated with nanoencapsulated hesperetin treatment in experimental oral carcinogenesis

    Science.gov (United States)

    Gurushankar, K.; Gohulkumar, M.; Kumar, Piyush; Krishna, C. Murali; Krishnakumar, N.

    2016-03-01

    Recently it has been shown that Raman spectroscopy possesses great potential in the investigation of biomolecular changes of tumor tissues with therapeutic drug response in a non-invasive and label-free manner. The present study is designed to investigate the antitumor effect of hespertin-loaded nanoparticles (HETNPs) relative to the efficacy of native hesperetin (HET) in modifying the biomolecular changes during 7,12-dimethyl benz(a)anthracene (DMBA)-induced oral carcinogenesis using a Raman spectroscopic technique. Significant differences in the intensity and shape of the Raman spectra between the control and the experimental tissues at 1800-500 cm-1 were observed. Tumor tissues are characterized by an increase in the relative amount of proteins, nucleic acids, tryptophan and phenylalanine and a decrease in the percentage of lipids when compared to the control tissues. Further, oral administration of HET and its nanoparticulates restored the status of the lipids and significantly decreased the levels of protein and nucleic acid content. Treatment with HETNPs showed a more potent antitumor effect than treatment with native HET, which resulted in an overall reduction in the intensity of several biochemical Raman bands in DMBA-induced oral carcinogenesis being observed. Principal component and linear discriminant analysis (PC-LDA), together with leave-one-out cross validation (LOOCV) on Raman spectra yielded diagnostic sensitivities of 100%, 80%, 91.6% and 65% and specificities of 100%, 65%, 60% and 55% for classification of control versus DMBA, DMBA versus DMBA  +  HET, DMBA versus DMBA  +  HETNPs and DMBA  +  HET versus DMBA  +  HETNPs treated tissue groups, respectively. These results further demonstrate that Raman spectroscopy associated with multivariate statistical algorithms could be a valuable tool for developing a comprehensive understanding of the process of biomolecular changes, and could reveal the signatures of the

  12. In situ monitoring of biomolecular processes in living systems using surface-enhanced Raman scattering

    Science.gov (United States)

    Altunbek, Mine; Kelestemur, Seda; Culha, Mustafa

    2015-12-01

    Surface-enhanced Raman scattering (SERS) continues to strive to gather molecular level information from dynamic biological systems. It is our ongoing effort to utilize the technique for understanding of the biomolecular processes in living systems such as eukaryotic and prokaryotic cells. In this study, the technique is investigated to identify cell death mechanisms in 2D and 3D in vitro cell culture models, which is a very important process in tissue engineering and pharmaceutical applications. Second, in situ biofilm formation monitoring is investigated to understand how microorganisms respond to the environmental stimuli, which inferred information can be used to interfere with biofilm formation and fight against their pathogenic activity.

  13. The use of gold nanoparticle aggregation for DNA computing and logic-based biomolecular detection

    International Nuclear Information System (INIS)

    Lee, In-Hee; Yang, Kyung-Ae; Zhang, Byoung-Tak; Lee, Ji-Hoon; Park, Ji-Yoon; Chai, Young Gyu; Lee, Jae-Hoon

    2008-01-01

    The use of DNA molecules as a physical computational material has attracted much interest, especially in the area of DNA computing. DNAs are also useful for logical control and analysis of biological systems if efficient visualization methods are available. Here we present a quick and simple visualization technique that displays the results of the DNA computing process based on a colorimetric change induced by gold nanoparticle aggregation, and we apply it to the logic-based detection of biomolecules. Our results demonstrate its effectiveness in both DNA-based logical computation and logic-based biomolecular detection

  14. Tunable biomimetic chalcogels with Fe4S4 cores and [Sn(n)S(2n+2)](4-)(n = 1, 2, 4) building blocks for solar fuel catalysis.

    Science.gov (United States)

    Shim, Yurina; Yuhas, Benjamin D; Dyar, Scott M; Smeigh, Amanda L; Douvalis, Alexios P; Wasielewski, Michael R; Kanatzidis, Mercouri G

    2013-02-13

    Biology sustains itself by converting solar energy in a series of reactions between light harvesting components, electron transfer pathways, and redox-active centers. As an artificial system mimicking such solar energy conversion, porous chalcogenide aerogels (chalcogels) encompass the above components into a common architecture. We present here the ability to tune the redox properties of chalcogel frameworks containing biological Fe(4)S(4) clusters. We have investigated the effects of [Sn(n)S(2n+2)](4-) linking blocks ([SnS(4)](4-), [Sn(2)S(6)](4-), [Sn(4)S(10)](4-)) on the electrochemical and electrocatalytic properties of the chalcogels, as well as on the photophysical properties of incorporated light-harvesting dyes, tris(2,2'-bipyridyl)ruthenium(II) (Ru(bpy)(3)(2+)). The various thiostannate linking blocks do not alter significantly the chalcogel surface area (90-310 m(2)/g) or the local environment around the Fe(4)S(4) clusters as indicated by (57)Fe Mössbauer spectroscopy. However, the varying charge density of the linking blocks greatly affects the reduction potential of the Fe(4)S(4) cluster and the electronic interaction between the clusters. We find that when the Fe(4)S(4) clusters are bridged with the adamantane [Sn(4)S(10)](4-) linking blocks, the electrochemical reduction of CS(2) and the photochemical production of hydrogen are enhanced. The ability to tune the redox properties of biomimetic chalcogels presents a novel avenue to control the function of multifunctional chalcogels for a wide range of electrochemical or photochemical processes relevant to solar fuels.

  15. An optics-based variable-temperature assay system for characterizing thermodynamics of biomolecular reactions on solid support

    Energy Technology Data Exchange (ETDEWEB)

    Fei, Yiyan; Landry, James P.; Zhu, X. D., E-mail: xdzhu@physics.ucdavis.edu [Department of Physics, University of California, One Shields Avenue, Davis, California 95616 (United States); Li, Yanhong; Yu, Hai; Lau, Kam; Huang, Shengshu; Chokhawala, Harshal A.; Chen, Xi [Department of Chemistry, University of California, One Shields Avenue, Davis, California 95616 (United States)

    2013-11-15

    A biological state is equilibrium of multiple concurrent biomolecular reactions. The relative importance of these reactions depends on physiological temperature typically between 10 °C and 50 °C. Experimentally the temperature dependence of binding reaction constants reveals thermodynamics and thus details of these biomolecular processes. We developed a variable-temperature opto-fluidic system for real-time measurement of multiple (400–10 000) biomolecular binding reactions on solid supports from 10 °C to 60 °C within ±0.1 °C. We illustrate the performance of this system with investigation of binding reactions of plant lectins (carbohydrate-binding proteins) with 24 synthetic glycans (i.e., carbohydrates). We found that the lectin-glycan reactions in general can be enthalpy-driven, entropy-driven, or both, and water molecules play critical roles in the thermodynamics of these reactions.

  16. Homogeneous bilateral block shifts

    Indian Academy of Sciences (India)

    A new 3-parameter family of homogeneous 2-by-2 block shifts is described. These are the first examples of irreducible homogeneous bilateral block shifts of block size larger than 1. Author Affiliations. Adam Korányi1. Department of Mathematics, The Graduate Center, City University of New York, New York, NY 10016, USA ...

  17. Single-molecule imaging and manipulation of biomolecular machines and systems.

    Science.gov (United States)

    Iino, Ryota; Iida, Tatsuya; Nakamura, Akihiko; Saita, Ei-Ichiro; You, Huijuan; Sako, Yasushi

    2018-02-01

    Biological molecular machines support various activities and behaviors of cells, such as energy production, signal transduction, growth, differentiation, and migration. We provide an overview of single-molecule imaging methods involving both small and large probes used to monitor the dynamic motions of molecular machines in vitro (purified proteins) and in living cells, and single-molecule manipulation methods used to measure the forces, mechanical properties and responses of biomolecules. We also introduce several examples of single-molecule analysis, focusing primarily on motor proteins and signal transduction systems. Single-molecule analysis is a powerful approach to unveil the operational mechanisms both of individual molecular machines and of systems consisting of many molecular machines. Quantitative, high-resolution single-molecule analyses of biomolecular systems at the various hierarchies of life will help to answer our fundamental question: "What is life?" This article is part of a Special Issue entitled "Biophysical Exploration of Dynamical Ordering of Biomolecular Systems" edited by Dr. Koichi Kato. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems

    Energy Technology Data Exchange (ETDEWEB)

    Radak, Brian K. [Leadership; Chipot, Christophe [Laboratoire; Department; Suh, Donghyuk [Department; Jo, Sunhwan [Leadership; Jiang, Wei [Leadership; Phillips, James C. [Theoretical; Schulten, Klaus [Department; Theoretical; Roux, Benoît [Department; Department; Center for

    2017-11-22

    An increasingly important endeavor is to develop computational strategies that enable molecular dynamics (MD) simulations of biomolecular systems with spontaneous changes in protonation states under conditions of constant pH. The present work describes our efforts to implement the powerful constant-pH MD simulation method, based on a hybrid nonequilibrium MD/Monte Carlo (neMD/MC) technique within the highly scalable program NAMD. The constant-pH hybrid neMD/MC method has several appealing features; it samples the correct semigrand canonical ensemble rigorously, the computational cost increases linearly with the number of titratable sites, and it is applicable to explicit solvent simulations. The present implementation of the constant-pH hybrid neMD/MC in NAMD is designed to handle a wide range of biomolecular systems with no constraints on the choice of force field. Furthermore, the sampling efficiency can be adaptively improved on-the-fly by adjusting algorithmic parameters during the simulation. Illustrative examples emphasizing medium- and large-scale applications on next-generation supercomputing architectures are provided.

  19. DockScreen: A Database of In Silico Biomolecular Interactions to Support Computational Toxicology

    Directory of Open Access Journals (Sweden)

    Michael-Rock Goldsmith

    2014-01-01

    Full Text Available We have developed DockScreen, a database of in silico biomolecular interactions designed to enable rational molecular toxicological insight within a computational toxicology framework. This database is composed of chemical/target (receptor and enzyme binding scores calculated by molecular docking of more than 1000 chemicals into 150 protein targets and contains nearly 135 thousand unique ligand/target binding scores. Obtaining this dataset was achieved using eHiTS (Simbiosys Inc., a fragment-based molecular docking approach with an exhaustive search algorithm, on a heterogeneous distributed high-performance computing framework. The chemical landscape covered in DockScreen comprises selected environmental and therapeutic chemicals. The target landscape covered in DockScreen was selected based on the availability of high-quality crystal structures that covered the assay space of phase I ToxCast in vitro assays. This in silico data provides continuous information that establishes a means for quantitatively comparing, on a structural biophysical basis, a chemical’s profile of biomolecular interactions. The combined minimum-score chemical/target matrix is provided.

  20. A new approach to implement absorbing boundary condition in biomolecular electrostatics.

    Science.gov (United States)

    Goni, Md Osman

    2013-01-01

    This paper discusses a novel approach to employ the absorbing boundary condition in conjunction with the finite-element method (FEM) in biomolecular electrostatics. The introduction of Bayliss-Turkel absorbing boundary operators in electromagnetic scattering problem has been incorporated by few researchers. However, in the area of biomolecular electrostatics, this boundary condition has not been investigated yet. The objective of this paper is twofold. First, to solve nonlinear Poisson-Boltzmann equation using Newton's method and second, to find an efficient and acceptable solution with minimum number of unknowns. In this work, a Galerkin finite-element formulation is used along with a Bayliss-Turkel absorbing boundary operator that explicitly accounts for the open field problem by mapping the Sommerfeld radiation condition from the far field to near field. While the Bayliss-Turkel condition works well when the artificial boundary is far from the scatterer, an acceptable tolerance of error can be achieved with the second order operator. Numerical results on test case with simple sphere show that the treatment is able to reach the same level of accuracy achieved by the analytical method while using a lower grid density. Bayliss-Turkel absorbing boundary condition (BTABC) combined with the FEM converges to the exact solution of scattering problems to within discretization error.